USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1013 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 109 SER OG : rot 180:sc= 0.616 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 166:sc= 0.799 (180deg=-0.595) USER MOD Set 2.1: A 106 LYS NZ :NH3+ -177:sc= 2.02 (180deg=0.82) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.948 K(o=1.1,f=-19!) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 73 ASN : amide:sc= -4.79! C(o=-4.8!,f=-5.7!) USER MOD Set 4.1: A 11 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.6!) USER MOD Set 4.2: A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0429) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00158 USER MOD Single : A 9 CYS SG : rot -178:sc= -5.57! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-2) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 92:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.43 F(o=-3.3!,f=-0.43) USER MOD Single : A 36 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.363 USER MOD Single : A 52 THR OG1 : rot 91:sc= -0.171 USER MOD Single : A 54 THR OG1 : rot 135:sc= 0.937 USER MOD Single : A 56 GLN : amide:sc= -16.5! C(o=-17!,f=-18!) USER MOD Single : A 60 MET CE :methyl -179:sc= -6.98! (180deg=-7.02!) USER MOD Single : A 62 THR OG1 : rot 5:sc= 1.05 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -150:sc= 0.675 USER MOD Single : A 70 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 71 THR OG1 : rot 48:sc= 1.33 USER MOD Single : A 76 CYS SG : rot -69:sc= 1.2 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.61) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 31:sc= 0.0236 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0.793 (180deg=0.671) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= 1.04 (180deg=-0.629!) USER MOD Single : A 95 HIS : no HE2:sc= -0.701 K(o=-0.7,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.419 F(o=-2.1,f=-0.42) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 84:sc= -2.92! USER MOD Single : A 116 THR OG1 : rot -116:sc= 0.936 USER MOD Single : A 117 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.2) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.76! X(o=-1.8!,f=-1.6) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 3 10.994 -3.870 9.525 1.00 0.93 N ATOM 47 CA LYS A 3 10.746 -2.561 10.119 1.00 0.96 C ATOM 48 C LYS A 3 10.092 -1.703 9.053 1.00 0.78 C ATOM 49 O LYS A 3 8.967 -1.244 9.232 1.00 1.17 O ATOM 50 CB LYS A 3 12.013 -1.880 10.683 1.00 1.91 C ATOM 51 CG LYS A 3 12.495 -2.429 12.017 1.00 2.62 C ATOM 52 CD LYS A 3 11.454 -2.245 13.109 1.00 3.43 C ATOM 53 CE LYS A 3 11.889 -2.903 14.409 1.00 4.25 C ATOM 54 NZ LYS A 3 13.100 -2.262 14.986 1.00 4.81 N ATOM 0 HA LYS A 3 10.096 -2.688 10.985 1.00 0.96 H new ATOM 0 HB2 LYS A 3 12.817 -1.980 9.954 1.00 1.91 H new ATOM 0 HB3 LYS A 3 11.815 -0.814 10.795 1.00 1.91 H new ATOM 0 HG2 LYS A 3 12.729 -3.488 11.912 1.00 2.62 H new ATOM 0 HG3 LYS A 3 13.418 -1.926 12.306 1.00 2.62 H new ATOM 0 HD2 LYS A 3 11.285 -1.181 13.277 1.00 3.43 H new ATOM 0 HD3 LYS A 3 10.505 -2.671 12.784 1.00 3.43 H new ATOM 0 HE2 LYS A 3 11.074 -2.851 15.131 1.00 4.25 H new ATOM 0 HE3 LYS A 3 12.090 -3.959 14.230 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 13.300 -2.675 15.919 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 13.911 -2.422 14.355 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 12.937 -1.240 15.088 1.00 4.81 H new ATOM 68 N PRO A 4 10.765 -1.499 7.909 1.00 0.45 N ATOM 69 CA PRO A 4 10.128 -0.982 6.728 1.00 0.41 C ATOM 70 C PRO A 4 9.741 -2.123 5.796 1.00 0.39 C ATOM 71 O PRO A 4 10.459 -3.115 5.689 1.00 0.53 O ATOM 72 CB PRO A 4 11.222 -0.116 6.111 1.00 0.59 C ATOM 73 CG PRO A 4 12.520 -0.719 6.562 1.00 0.72 C ATOM 74 CD PRO A 4 12.202 -1.709 7.659 1.00 0.80 C ATOM 0 HA PRO A 4 9.208 -0.433 6.926 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.150 -0.110 5.023 1.00 0.59 H new ATOM 0 HB3 PRO A 4 11.135 0.919 6.442 1.00 0.59 H new ATOM 0 HG2 PRO A 4 13.022 -1.215 5.731 1.00 0.72 H new ATOM 0 HG3 PRO A 4 13.196 0.054 6.927 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.409 -2.733 7.348 1.00 0.80 H new ATOM 0 HD3 PRO A 4 12.796 -1.521 8.553 1.00 0.80 H new ATOM 82 N LYS A 5 8.597 -2.016 5.166 1.00 0.38 N ATOM 83 CA LYS A 5 8.187 -2.993 4.171 1.00 0.38 C ATOM 84 C LYS A 5 8.071 -2.322 2.811 1.00 0.35 C ATOM 85 O LYS A 5 8.138 -1.101 2.711 1.00 0.40 O ATOM 86 CB LYS A 5 6.848 -3.640 4.557 1.00 0.44 C ATOM 87 CG LYS A 5 6.890 -4.375 5.889 1.00 1.16 C ATOM 88 CD LYS A 5 5.668 -5.261 6.098 1.00 1.64 C ATOM 89 CE LYS A 5 5.768 -6.028 7.409 1.00 2.57 C ATOM 90 NZ LYS A 5 4.695 -7.046 7.553 1.00 3.33 N ATOM 0 H LYS A 5 7.927 -1.262 5.321 1.00 0.38 H new ATOM 0 HA LYS A 5 8.942 -3.778 4.124 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.080 -2.868 4.601 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.552 -4.339 3.775 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.792 -4.986 5.936 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.953 -3.650 6.700 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.766 -4.649 6.099 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.577 -5.962 5.268 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.740 -6.518 7.467 1.00 2.57 H new ATOM 0 HE3 LYS A 5 5.714 -5.327 8.242 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 4.806 -7.541 8.461 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 3.767 -6.578 7.525 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 4.761 -7.732 6.774 1.00 3.33 H new ATOM 104 N LEU A 6 7.938 -3.116 1.768 1.00 0.35 N ATOM 105 CA LEU A 6 7.686 -2.583 0.447 1.00 0.37 C ATOM 106 C LEU A 6 6.328 -3.036 -0.041 1.00 0.37 C ATOM 107 O LEU A 6 5.819 -4.078 0.381 1.00 0.46 O ATOM 108 CB LEU A 6 8.788 -2.955 -0.565 1.00 0.51 C ATOM 109 CG LEU A 6 9.163 -4.442 -0.714 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.001 -5.283 -1.221 1.00 1.24 C ATOM 111 CD2 LEU A 6 10.316 -4.571 -1.682 1.00 1.49 C ATOM 0 H LEU A 6 8.000 -4.133 1.811 1.00 0.35 H new ATOM 0 HA LEU A 6 7.697 -1.496 0.526 1.00 0.37 H new ATOM 0 HB2 LEU A 6 8.479 -2.589 -1.544 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.691 -2.409 -0.291 1.00 0.51 H new ATOM 0 HG LEU A 6 9.438 -4.810 0.274 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.316 -6.323 -1.309 1.00 1.24 H new ATOM 0 HD12 LEU A 6 7.169 -5.214 -0.520 1.00 1.24 H new ATOM 0 HD13 LEU A 6 7.685 -4.916 -2.197 1.00 1.24 H new ATOM 0 HD21 LEU A 6 10.584 -5.622 -1.790 1.00 1.49 H new ATOM 0 HD22 LEU A 6 10.023 -4.170 -2.652 1.00 1.49 H new ATOM 0 HD23 LEU A 6 11.173 -4.015 -1.303 1.00 1.49 H new ATOM 123 N LEU A 7 5.726 -2.234 -0.886 1.00 0.36 N ATOM 124 CA LEU A 7 4.456 -2.592 -1.474 1.00 0.39 C ATOM 125 C LEU A 7 4.609 -2.957 -2.933 1.00 0.41 C ATOM 126 O LEU A 7 4.903 -2.094 -3.766 1.00 0.58 O ATOM 127 CB LEU A 7 3.461 -1.440 -1.352 1.00 0.55 C ATOM 128 CG LEU A 7 2.144 -1.629 -2.116 1.00 0.59 C ATOM 129 CD1 LEU A 7 0.979 -1.335 -1.191 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.093 -0.735 -3.359 1.00 1.25 C ATOM 0 H LEU A 7 6.094 -1.330 -1.182 1.00 0.36 H new ATOM 0 HA LEU A 7 4.081 -3.459 -0.929 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.232 -1.290 -0.297 1.00 0.55 H new ATOM 0 HB3 LEU A 7 3.941 -0.528 -1.707 1.00 0.55 H new ATOM 0 HG LEU A 7 2.079 -2.662 -2.456 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.042 -1.469 -1.732 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.008 -2.017 -0.341 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.048 -0.307 -0.834 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.148 -0.890 -3.880 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.175 0.310 -3.059 1.00 1.25 H new ATOM 0 HD23 LEU A 7 2.920 -0.988 -4.023 1.00 1.25 H new ATOM 142 N TYR A 8 4.453 -4.227 -3.256 1.00 0.50 N ATOM 143 CA TYR A 8 4.137 -4.557 -4.618 1.00 0.71 C ATOM 144 C TYR A 8 2.813 -5.287 -4.703 1.00 0.44 C ATOM 145 O TYR A 8 2.740 -6.479 -4.412 1.00 0.73 O ATOM 146 CB TYR A 8 5.238 -5.382 -5.282 1.00 1.29 C ATOM 147 CG TYR A 8 5.550 -6.743 -4.700 1.00 1.60 C ATOM 148 CD1 TYR A 8 6.140 -6.893 -3.456 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.267 -7.890 -5.434 1.00 1.84 C ATOM 150 CE1 TYR A 8 6.435 -8.147 -2.955 1.00 2.93 C ATOM 151 CE2 TYR A 8 5.560 -9.142 -4.944 1.00 2.43 C ATOM 152 CZ TYR A 8 6.143 -9.267 -3.705 1.00 2.96 C ATOM 153 OH TYR A 8 6.440 -10.518 -3.218 1.00 3.74 O ATOM 0 H TYR A 8 4.537 -5.016 -2.615 1.00 0.50 H new ATOM 0 HA TYR A 8 4.058 -3.615 -5.161 1.00 0.71 H new ATOM 0 HB2 TYR A 8 4.968 -5.520 -6.329 1.00 1.29 H new ATOM 0 HB3 TYR A 8 6.155 -4.792 -5.264 1.00 1.29 H new ATOM 0 HD1 TYR A 8 6.373 -6.017 -2.869 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.808 -7.796 -6.407 1.00 1.84 H new ATOM 0 HE1 TYR A 8 6.892 -8.249 -1.982 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.333 -10.021 -5.529 1.00 2.43 H new ATOM 0 HH TYR A 8 6.168 -11.196 -3.871 1.00 3.74 H new ATOM 163 N CYS A 9 1.740 -4.605 -5.098 1.00 0.63 N ATOM 164 CA CYS A 9 0.533 -5.365 -5.312 1.00 0.75 C ATOM 165 C CYS A 9 -0.043 -5.215 -6.717 1.00 1.05 C ATOM 166 O CYS A 9 -0.989 -4.479 -6.978 1.00 1.99 O ATOM 167 CB CYS A 9 -0.467 -4.867 -4.290 1.00 1.57 C ATOM 168 SG CYS A 9 0.327 -4.358 -2.746 1.00 2.64 S ATOM 0 H CYS A 9 1.686 -3.600 -5.264 1.00 0.63 H new ATOM 0 HA CYS A 9 0.757 -6.426 -5.204 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -1.020 -4.025 -4.706 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -1.192 -5.653 -4.081 1.00 1.57 H new ATOM 0 HG CYS A 9 -0.580 -3.972 -1.898 1.00 2.64 H new ATOM 174 N SER A 10 0.618 -5.899 -7.606 1.00 0.83 N ATOM 175 CA SER A 10 0.117 -6.742 -8.659 1.00 1.29 C ATOM 176 C SER A 10 1.074 -7.909 -8.521 1.00 0.84 C ATOM 177 O SER A 10 2.176 -7.654 -8.016 1.00 1.34 O ATOM 178 CB SER A 10 0.212 -6.066 -10.029 1.00 2.36 C ATOM 179 OG SER A 10 -0.327 -6.889 -11.051 1.00 3.16 O ATOM 0 H SER A 10 1.638 -5.878 -7.612 1.00 0.83 H new ATOM 0 HA SER A 10 -0.939 -7.003 -8.586 1.00 1.29 H new ATOM 0 HB2 SER A 10 -0.322 -5.116 -10.005 1.00 2.36 H new ATOM 0 HB3 SER A 10 1.254 -5.840 -10.253 1.00 2.36 H new ATOM 0 HG SER A 10 -0.254 -6.430 -11.914 1.00 3.16 H new ATOM 185 N ASN A 11 0.802 -9.143 -8.891 1.00 1.45 N ATOM 186 CA ASN A 11 1.901 -10.084 -8.720 1.00 1.79 C ATOM 187 C ASN A 11 2.888 -9.887 -9.873 1.00 1.40 C ATOM 188 O ASN A 11 2.683 -10.363 -10.989 1.00 1.83 O ATOM 189 CB ASN A 11 1.405 -11.531 -8.666 1.00 2.89 C ATOM 190 CG ASN A 11 2.468 -12.481 -8.136 1.00 3.45 C ATOM 191 OD1 ASN A 11 3.665 -12.259 -8.317 1.00 3.71 O ATOM 192 ND2 ASN A 11 2.041 -13.537 -7.468 1.00 4.02 N ATOM 0 H ASN A 11 -0.074 -9.499 -9.274 1.00 1.45 H new ATOM 0 HA ASN A 11 2.395 -9.889 -7.768 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.521 -11.587 -8.031 1.00 2.89 H new ATOM 0 HB3 ASN A 11 1.102 -11.847 -9.664 1.00 2.89 H new ATOM 0 HD21 ASN A 11 2.712 -14.202 -7.082 1.00 4.02 H new ATOM 0 HD22 ASN A 11 1.041 -13.688 -7.338 1.00 4.02 H new ATOM 199 N GLY A 12 3.958 -9.155 -9.559 1.00 1.41 N ATOM 200 CA GLY A 12 5.019 -8.854 -10.506 1.00 1.36 C ATOM 201 C GLY A 12 6.321 -8.547 -9.789 1.00 1.49 C ATOM 202 O GLY A 12 6.836 -9.361 -9.024 1.00 2.34 O ATOM 0 H GLY A 12 4.109 -8.754 -8.633 1.00 1.41 H new ATOM 0 HA2 GLY A 12 5.161 -9.700 -11.178 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.730 -8.002 -11.122 1.00 1.36 H new ATOM 206 N GLY A 13 6.824 -7.328 -10.020 1.00 0.97 N ATOM 207 CA GLY A 13 7.886 -6.775 -9.202 1.00 1.26 C ATOM 208 C GLY A 13 8.154 -5.302 -9.505 1.00 0.84 C ATOM 209 O GLY A 13 9.053 -4.958 -10.267 1.00 0.89 O ATOM 0 H GLY A 13 6.506 -6.713 -10.769 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.623 -6.884 -8.150 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.799 -7.347 -9.363 1.00 1.26 H new ATOM 213 N HIS A 14 7.333 -4.443 -8.908 1.00 0.78 N ATOM 214 CA HIS A 14 7.569 -3.007 -8.819 1.00 0.61 C ATOM 215 C HIS A 14 7.431 -2.620 -7.357 1.00 0.61 C ATOM 216 O HIS A 14 6.876 -3.390 -6.586 1.00 0.92 O ATOM 217 CB HIS A 14 6.591 -2.210 -9.687 1.00 0.85 C ATOM 218 CG HIS A 14 7.167 -1.765 -10.997 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.510 -0.919 -11.866 1.00 1.31 N ATOM 220 CD2 HIS A 14 8.347 -2.057 -11.586 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.259 -0.719 -12.934 1.00 1.17 C ATOM 222 NE2 HIS A 14 8.378 -1.398 -12.789 1.00 0.95 N ATOM 0 H HIS A 14 6.463 -4.735 -8.462 1.00 0.78 H new ATOM 0 HA HIS A 14 8.566 -2.773 -9.193 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.709 -2.821 -9.878 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.258 -1.334 -9.131 1.00 0.85 H new ATOM 0 HD2 HIS A 14 9.123 -2.692 -11.184 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.999 -0.103 -13.782 1.00 1.17 H new ATOM 0 HE2 HIS A 14 9.144 -1.429 -13.462 1.00 0.95 H new ATOM 231 N PHE A 15 7.894 -1.451 -6.969 1.00 0.49 N ATOM 232 CA PHE A 15 7.962 -1.108 -5.566 1.00 0.45 C ATOM 233 C PHE A 15 7.441 0.300 -5.346 1.00 0.39 C ATOM 234 O PHE A 15 7.771 1.210 -6.095 1.00 0.41 O ATOM 235 CB PHE A 15 9.399 -1.220 -5.046 1.00 0.51 C ATOM 236 CG PHE A 15 10.043 -2.559 -5.294 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.429 -3.729 -4.880 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.261 -2.642 -5.949 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.017 -4.958 -5.114 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.854 -3.868 -6.185 1.00 1.62 C ATOM 241 CZ PHE A 15 11.232 -5.027 -5.767 1.00 1.82 C ATOM 0 H PHE A 15 8.228 -0.725 -7.603 1.00 0.49 H new ATOM 0 HA PHE A 15 7.339 -1.811 -5.013 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.005 -0.445 -5.516 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.402 -1.021 -3.974 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.479 -3.681 -4.368 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.753 -1.739 -6.279 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.527 -5.863 -4.787 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.804 -3.919 -6.696 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.694 -5.986 -5.950 1.00 1.82 H new ATOM 251 N LEU A 16 6.718 0.469 -4.263 1.00 0.43 N ATOM 252 CA LEU A 16 6.075 1.708 -3.923 1.00 0.50 C ATOM 253 C LEU A 16 7.116 2.656 -3.373 1.00 0.48 C ATOM 254 O LEU A 16 7.769 2.411 -2.359 1.00 0.64 O ATOM 255 CB LEU A 16 5.010 1.391 -2.854 1.00 0.75 C ATOM 256 CG LEU A 16 4.175 2.549 -2.291 1.00 1.35 C ATOM 257 CD1 LEU A 16 3.026 1.990 -1.467 1.00 2.23 C ATOM 258 CD2 LEU A 16 5.002 3.483 -1.416 1.00 1.59 C ATOM 0 H LEU A 16 6.560 -0.272 -3.580 1.00 0.43 H new ATOM 0 HA LEU A 16 5.605 2.173 -4.789 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.321 0.660 -3.278 1.00 0.75 H new ATOM 0 HB3 LEU A 16 5.513 0.907 -2.017 1.00 0.75 H new ATOM 0 HG LEU A 16 3.801 3.124 -3.138 1.00 1.35 H new ATOM 0 HD11 LEU A 16 2.432 2.812 -1.066 1.00 2.23 H new ATOM 0 HD12 LEU A 16 2.397 1.362 -2.098 1.00 2.23 H new ATOM 0 HD13 LEU A 16 3.424 1.395 -0.645 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.368 4.286 -1.041 1.00 1.59 H new ATOM 0 HD22 LEU A 16 5.415 2.924 -0.576 1.00 1.59 H new ATOM 0 HD23 LEU A 16 5.815 3.907 -2.004 1.00 1.59 H new ATOM 270 N ARG A 17 7.273 3.713 -4.131 1.00 0.40 N ATOM 271 CA ARG A 17 8.350 4.656 -3.997 1.00 0.42 C ATOM 272 C ARG A 17 7.761 6.052 -3.933 1.00 0.35 C ATOM 273 O ARG A 17 6.754 6.319 -4.600 1.00 0.37 O ATOM 274 CB ARG A 17 9.244 4.474 -5.223 1.00 0.59 C ATOM 275 CG ARG A 17 10.229 5.587 -5.500 1.00 1.00 C ATOM 276 CD ARG A 17 10.640 5.552 -6.961 1.00 1.17 C ATOM 277 NE ARG A 17 9.508 5.857 -7.839 1.00 1.46 N ATOM 278 CZ ARG A 17 9.621 6.330 -9.079 1.00 1.93 C ATOM 279 NH1 ARG A 17 10.819 6.516 -9.621 1.00 2.43 N ATOM 280 NH2 ARG A 17 8.530 6.586 -9.786 1.00 2.61 N ATOM 0 H ARG A 17 6.628 3.947 -4.886 1.00 0.40 H new ATOM 0 HA ARG A 17 8.936 4.501 -3.091 1.00 0.42 H new ATOM 0 HB2 ARG A 17 9.801 3.544 -5.106 1.00 0.59 H new ATOM 0 HB3 ARG A 17 8.606 4.355 -6.098 1.00 0.59 H new ATOM 0 HG2 ARG A 17 9.780 6.551 -5.261 1.00 1.00 H new ATOM 0 HG3 ARG A 17 11.106 5.477 -4.862 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.441 6.271 -7.133 1.00 1.17 H new ATOM 0 HD3 ARG A 17 11.038 4.567 -7.206 1.00 1.17 H new ATOM 0 HE ARG A 17 8.569 5.696 -7.476 1.00 1.46 H new ATOM 0 HH11 ARG A 17 11.660 6.296 -9.087 1.00 2.43 H new ATOM 0 HH12 ARG A 17 10.898 6.879 -10.571 1.00 2.43 H new ATOM 0 HH21 ARG A 17 7.609 6.421 -9.380 1.00 2.61 H new ATOM 0 HH22 ARG A 17 8.611 6.948 -10.736 1.00 2.61 H new ATOM 294 N ILE A 18 8.338 6.938 -3.131 1.00 0.33 N ATOM 295 CA ILE A 18 7.821 8.280 -3.067 1.00 0.31 C ATOM 296 C ILE A 18 8.606 9.239 -3.939 1.00 0.32 C ATOM 297 O ILE A 18 9.834 9.165 -4.044 1.00 0.36 O ATOM 298 CB ILE A 18 7.799 8.835 -1.635 1.00 0.36 C ATOM 299 CG1 ILE A 18 9.205 9.205 -1.152 1.00 0.45 C ATOM 300 CG2 ILE A 18 7.169 7.822 -0.704 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.208 10.057 0.101 1.00 0.91 C ATOM 0 H ILE A 18 9.143 6.750 -2.534 1.00 0.33 H new ATOM 0 HA ILE A 18 6.798 8.207 -3.437 1.00 0.31 H new ATOM 0 HB ILE A 18 7.203 9.747 -1.633 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.768 8.291 -0.962 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.725 9.740 -1.947 1.00 0.45 H new ATOM 0 HG21 ILE A 18 7.155 8.220 0.311 1.00 0.41 H new ATOM 0 HG22 ILE A 18 6.148 7.616 -1.027 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.749 6.899 -0.724 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.236 10.281 0.386 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.673 10.987 -0.090 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.717 9.516 0.910 1.00 0.91 H new ATOM 313 N LEU A 19 7.867 10.111 -4.583 1.00 0.36 N ATOM 314 CA LEU A 19 8.414 11.307 -5.178 1.00 0.42 C ATOM 315 C LEU A 19 7.720 12.486 -4.518 1.00 0.41 C ATOM 316 O LEU A 19 6.539 12.397 -4.187 1.00 0.43 O ATOM 317 CB LEU A 19 8.205 11.324 -6.699 1.00 0.54 C ATOM 318 CG LEU A 19 8.987 10.261 -7.478 1.00 0.96 C ATOM 319 CD1 LEU A 19 8.779 10.435 -8.973 1.00 1.56 C ATOM 320 CD2 LEU A 19 10.471 10.326 -7.141 1.00 1.84 C ATOM 0 H LEU A 19 6.860 10.009 -4.710 1.00 0.36 H new ATOM 0 HA LEU A 19 9.491 11.353 -5.018 1.00 0.42 H new ATOM 0 HB2 LEU A 19 7.143 11.194 -6.905 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.485 12.307 -7.077 1.00 0.54 H new ATOM 0 HG LEU A 19 8.610 9.281 -7.185 1.00 0.96 H new ATOM 0 HD11 LEU A 19 9.342 9.671 -9.510 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.719 10.336 -9.207 1.00 1.56 H new ATOM 0 HD13 LEU A 19 9.127 11.423 -9.276 1.00 1.56 H new ATOM 0 HD21 LEU A 19 11.006 9.562 -7.706 1.00 1.84 H new ATOM 0 HD22 LEU A 19 10.861 11.310 -7.402 1.00 1.84 H new ATOM 0 HD23 LEU A 19 10.610 10.152 -6.074 1.00 1.84 H new ATOM 332 N PRO A 20 8.417 13.613 -4.332 1.00 0.54 N ATOM 333 CA PRO A 20 7.904 14.737 -3.537 1.00 0.67 C ATOM 334 C PRO A 20 6.827 15.517 -4.272 1.00 0.68 C ATOM 335 O PRO A 20 6.395 16.579 -3.830 1.00 0.84 O ATOM 336 CB PRO A 20 9.130 15.630 -3.343 1.00 0.89 C ATOM 337 CG PRO A 20 10.301 14.821 -3.795 1.00 0.96 C ATOM 338 CD PRO A 20 9.767 13.878 -4.830 1.00 0.70 C ATOM 0 HA PRO A 20 7.447 14.394 -2.609 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.041 16.547 -3.925 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.238 15.924 -2.299 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.080 15.459 -4.212 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.746 14.277 -2.962 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.755 14.327 -5.823 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.363 12.968 -4.899 1.00 0.70 H new ATOM 346 N ASP A 21 6.401 14.971 -5.391 1.00 0.62 N ATOM 347 CA ASP A 21 5.325 15.552 -6.173 1.00 0.78 C ATOM 348 C ASP A 21 3.985 14.999 -5.706 1.00 0.75 C ATOM 349 O ASP A 21 2.925 15.456 -6.136 1.00 0.99 O ATOM 350 CB ASP A 21 5.537 15.271 -7.662 1.00 0.94 C ATOM 351 CG ASP A 21 6.864 15.808 -8.161 1.00 1.51 C ATOM 352 OD1 ASP A 21 6.999 17.042 -8.299 1.00 1.71 O ATOM 353 OD2 ASP A 21 7.789 15.001 -8.397 1.00 2.30 O ATOM 0 H ASP A 21 6.788 14.114 -5.786 1.00 0.62 H new ATOM 0 HA ASP A 21 5.325 16.632 -6.027 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.492 14.196 -7.837 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.726 15.721 -8.234 1.00 0.94 H new ATOM 358 N GLY A 22 4.044 14.006 -4.820 1.00 0.59 N ATOM 359 CA GLY A 22 2.842 13.467 -4.214 1.00 0.72 C ATOM 360 C GLY A 22 2.337 12.218 -4.908 1.00 0.61 C ATOM 361 O GLY A 22 1.169 12.142 -5.289 1.00 0.81 O ATOM 0 H GLY A 22 4.910 13.565 -4.511 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.041 13.239 -3.167 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.061 14.227 -4.232 1.00 0.72 H new ATOM 365 N THR A 23 3.204 11.233 -5.072 1.00 0.43 N ATOM 366 CA THR A 23 2.840 10.005 -5.713 1.00 0.39 C ATOM 367 C THR A 23 3.222 8.824 -4.852 1.00 0.40 C ATOM 368 O THR A 23 4.293 8.810 -4.246 1.00 0.46 O ATOM 369 CB THR A 23 3.596 9.844 -7.017 1.00 0.44 C ATOM 370 OG1 THR A 23 3.885 11.128 -7.593 1.00 0.49 O ATOM 371 CG2 THR A 23 2.793 9.022 -7.996 1.00 0.59 C ATOM 0 H THR A 23 4.175 11.273 -4.761 1.00 0.43 H new ATOM 0 HA THR A 23 1.764 10.038 -5.881 1.00 0.39 H new ATOM 0 HB THR A 23 4.533 9.330 -6.803 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.375 11.007 -8.433 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.351 8.917 -8.926 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.603 8.035 -7.573 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.844 9.519 -8.196 1.00 0.59 H new ATOM 379 N VAL A 24 2.352 7.842 -4.799 1.00 0.47 N ATOM 380 CA VAL A 24 2.712 6.562 -4.231 1.00 0.56 C ATOM 381 C VAL A 24 2.647 5.513 -5.349 1.00 0.42 C ATOM 382 O VAL A 24 1.579 5.049 -5.754 1.00 0.50 O ATOM 383 CB VAL A 24 1.740 6.232 -3.079 1.00 0.91 C ATOM 384 CG1 VAL A 24 0.318 6.267 -3.578 1.00 0.97 C ATOM 385 CG2 VAL A 24 2.042 4.895 -2.460 1.00 1.61 C ATOM 0 H VAL A 24 1.393 7.904 -5.141 1.00 0.47 H new ATOM 0 HA VAL A 24 3.722 6.575 -3.820 1.00 0.56 H new ATOM 0 HB VAL A 24 1.871 6.989 -2.306 1.00 0.91 H new ATOM 0 HG11 VAL A 24 -0.361 6.033 -2.758 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.092 7.261 -3.964 1.00 0.97 H new ATOM 0 HG13 VAL A 24 0.193 5.532 -4.373 1.00 0.97 H new ATOM 0 HG21 VAL A 24 1.336 4.700 -1.653 1.00 1.61 H new ATOM 0 HG22 VAL A 24 1.953 4.115 -3.217 1.00 1.61 H new ATOM 0 HG23 VAL A 24 3.056 4.900 -2.061 1.00 1.61 H new ATOM 395 N ASP A 25 3.797 5.183 -5.889 1.00 0.37 N ATOM 396 CA ASP A 25 3.844 4.323 -7.077 1.00 0.37 C ATOM 397 C ASP A 25 4.880 3.250 -7.033 1.00 0.39 C ATOM 398 O ASP A 25 5.864 3.367 -6.321 1.00 0.43 O ATOM 399 CB ASP A 25 4.011 5.173 -8.340 1.00 0.48 C ATOM 400 CG ASP A 25 5.338 5.912 -8.405 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.421 7.044 -7.888 1.00 1.16 O ATOM 402 OD2 ASP A 25 6.294 5.379 -9.006 1.00 1.10 O ATOM 0 H ASP A 25 4.707 5.485 -5.541 1.00 0.37 H new ATOM 0 HA ASP A 25 2.888 3.800 -7.095 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.919 4.530 -9.215 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.198 5.898 -8.390 1.00 0.48 H new ATOM 407 N GLY A 26 4.672 2.196 -7.830 1.00 0.38 N ATOM 408 CA GLY A 26 5.712 1.217 -7.930 1.00 0.40 C ATOM 409 C GLY A 26 6.605 1.382 -9.139 1.00 0.42 C ATOM 410 O GLY A 26 6.169 1.553 -10.275 1.00 0.52 O ATOM 0 H GLY A 26 3.832 2.019 -8.381 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.326 1.262 -7.030 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.260 0.225 -7.959 1.00 0.40 H new ATOM 414 N THR A 27 7.865 1.267 -8.833 1.00 0.42 N ATOM 415 CA THR A 27 8.976 1.267 -9.752 1.00 0.50 C ATOM 416 C THR A 27 9.995 0.353 -9.124 1.00 0.54 C ATOM 417 O THR A 27 10.062 0.333 -7.894 1.00 0.56 O ATOM 418 CB THR A 27 9.542 2.692 -9.922 1.00 0.57 C ATOM 419 OG1 THR A 27 8.608 3.508 -10.643 1.00 0.67 O ATOM 420 CG2 THR A 27 10.879 2.668 -10.634 1.00 0.70 C ATOM 0 H THR A 27 8.169 1.163 -7.865 1.00 0.42 H new ATOM 0 HA THR A 27 8.688 0.933 -10.749 1.00 0.50 H new ATOM 0 HB THR A 27 9.698 3.118 -8.931 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.021 3.971 -10.009 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.253 3.686 -10.740 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.589 2.078 -10.054 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.758 2.222 -11.621 1.00 0.70 H new ATOM 428 N ARG A 28 10.772 -0.437 -9.849 1.00 0.64 N ATOM 429 CA ARG A 28 11.648 -1.268 -9.074 1.00 0.71 C ATOM 430 C ARG A 28 12.946 -0.529 -8.835 1.00 0.65 C ATOM 431 O ARG A 28 13.758 -0.316 -9.734 1.00 0.72 O ATOM 432 CB ARG A 28 11.894 -2.647 -9.714 1.00 0.91 C ATOM 433 CG ARG A 28 12.555 -2.620 -11.084 1.00 1.56 C ATOM 434 CD ARG A 28 13.129 -3.983 -11.451 1.00 1.84 C ATOM 435 NE ARG A 28 12.097 -5.016 -11.570 1.00 2.32 N ATOM 436 CZ ARG A 28 12.229 -6.268 -11.121 1.00 2.92 C ATOM 437 NH1 ARG A 28 13.321 -6.637 -10.461 1.00 3.18 N ATOM 438 NH2 ARG A 28 11.259 -7.148 -11.328 1.00 3.76 N ATOM 0 H ARG A 28 10.812 -0.515 -10.865 1.00 0.64 H new ATOM 0 HA ARG A 28 11.161 -1.474 -8.121 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.516 -3.236 -9.040 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.939 -3.165 -9.800 1.00 0.91 H new ATOM 0 HG2 ARG A 28 11.826 -2.316 -11.835 1.00 1.56 H new ATOM 0 HG3 ARG A 28 13.350 -1.875 -11.091 1.00 1.56 H new ATOM 0 HD2 ARG A 28 13.669 -3.904 -12.395 1.00 1.84 H new ATOM 0 HD3 ARG A 28 13.853 -4.284 -10.694 1.00 1.84 H new ATOM 0 HE ARG A 28 11.220 -4.763 -12.025 1.00 2.32 H new ATOM 0 HH11 ARG A 28 14.068 -5.963 -10.293 1.00 3.18 H new ATOM 0 HH12 ARG A 28 13.413 -7.595 -10.122 1.00 3.18 H new ATOM 0 HH21 ARG A 28 10.415 -6.869 -11.829 1.00 3.76 H new ATOM 0 HH22 ARG A 28 11.357 -8.104 -10.987 1.00 3.76 H new ATOM 452 N ASP A 29 13.094 -0.130 -7.595 1.00 0.68 N ATOM 453 CA ASP A 29 14.359 0.313 -7.046 1.00 0.69 C ATOM 454 C ASP A 29 14.429 -0.095 -5.594 1.00 0.81 C ATOM 455 O ASP A 29 13.725 0.465 -4.767 1.00 1.48 O ATOM 456 CB ASP A 29 14.500 1.840 -7.122 1.00 1.04 C ATOM 457 CG ASP A 29 14.941 2.355 -8.474 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.151 2.273 -8.778 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.097 2.888 -9.220 1.00 2.20 O ATOM 0 H ASP A 29 12.326 -0.102 -6.924 1.00 0.68 H new ATOM 0 HA ASP A 29 15.160 -0.143 -7.627 1.00 0.69 H new ATOM 0 HB2 ASP A 29 13.543 2.295 -6.867 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.219 2.165 -6.370 1.00 1.04 H new ATOM 464 N ARG A 30 15.295 -1.011 -5.256 1.00 0.62 N ATOM 465 CA ARG A 30 15.518 -1.310 -3.861 1.00 0.91 C ATOM 466 C ARG A 30 16.983 -1.101 -3.554 1.00 1.03 C ATOM 467 O ARG A 30 17.476 -1.422 -2.473 1.00 1.18 O ATOM 468 CB ARG A 30 15.025 -2.721 -3.510 1.00 1.63 C ATOM 469 CG ARG A 30 15.795 -3.864 -4.160 1.00 2.20 C ATOM 470 CD ARG A 30 17.005 -4.272 -3.338 1.00 2.58 C ATOM 471 NE ARG A 30 17.793 -5.302 -4.004 1.00 3.27 N ATOM 472 CZ ARG A 30 19.123 -5.285 -4.080 1.00 3.80 C ATOM 473 NH1 ARG A 30 19.813 -4.310 -3.497 1.00 3.96 N ATOM 474 NH2 ARG A 30 19.758 -6.246 -4.734 1.00 4.57 N ATOM 0 H ARG A 30 15.852 -1.558 -5.913 1.00 0.62 H new ATOM 0 HA ARG A 30 14.937 -0.635 -3.232 1.00 0.91 H new ATOM 0 HB2 ARG A 30 15.070 -2.844 -2.428 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.977 -2.803 -3.797 1.00 1.63 H new ATOM 0 HG2 ARG A 30 15.135 -4.722 -4.284 1.00 2.20 H new ATOM 0 HG3 ARG A 30 16.118 -3.563 -5.157 1.00 2.20 H new ATOM 0 HD2 ARG A 30 17.630 -3.398 -3.155 1.00 2.58 H new ATOM 0 HD3 ARG A 30 16.676 -4.639 -2.366 1.00 2.58 H new ATOM 0 HE ARG A 30 17.297 -6.081 -4.437 1.00 3.27 H new ATOM 0 HH11 ARG A 30 19.324 -3.572 -2.990 1.00 3.96 H new ATOM 0 HH12 ARG A 30 20.831 -4.300 -3.557 1.00 3.96 H new ATOM 0 HH21 ARG A 30 19.229 -6.997 -5.178 1.00 4.57 H new ATOM 0 HH22 ARG A 30 20.776 -6.235 -4.794 1.00 4.57 H new ATOM 488 N SER A 31 17.667 -0.534 -4.534 1.00 1.72 N ATOM 489 CA SER A 31 19.048 -0.145 -4.378 1.00 2.60 C ATOM 490 C SER A 31 19.114 1.200 -3.669 1.00 2.41 C ATOM 491 O SER A 31 20.183 1.642 -3.254 1.00 2.90 O ATOM 492 CB SER A 31 19.722 -0.056 -5.747 1.00 3.49 C ATOM 493 OG SER A 31 19.426 -1.201 -6.528 1.00 4.00 O ATOM 0 H SER A 31 17.277 -0.333 -5.455 1.00 1.72 H new ATOM 0 HA SER A 31 19.572 -0.891 -3.781 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.385 0.841 -6.266 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.801 0.035 -5.621 1.00 3.49 H new ATOM 0 HG SER A 31 19.865 -1.124 -7.401 1.00 4.00 H new ATOM 499 N ASP A 32 17.959 1.854 -3.525 1.00 1.76 N ATOM 500 CA ASP A 32 17.901 3.106 -2.828 1.00 1.59 C ATOM 501 C ASP A 32 16.980 2.927 -1.636 1.00 1.18 C ATOM 502 O ASP A 32 16.458 1.838 -1.399 1.00 1.25 O ATOM 503 CB ASP A 32 17.378 4.204 -3.769 1.00 1.59 C ATOM 504 CG ASP A 32 17.659 5.610 -3.266 1.00 1.92 C ATOM 505 OD1 ASP A 32 16.874 6.117 -2.441 1.00 2.37 O ATOM 506 OD2 ASP A 32 18.666 6.207 -3.689 1.00 2.08 O ATOM 0 H ASP A 32 17.064 1.525 -3.886 1.00 1.76 H new ATOM 0 HA ASP A 32 18.891 3.408 -2.487 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.834 4.079 -4.751 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.303 4.080 -3.899 1.00 1.59 H new ATOM 511 N GLN A 33 16.753 3.990 -0.923 1.00 1.02 N ATOM 512 CA GLN A 33 15.963 3.951 0.280 1.00 0.76 C ATOM 513 C GLN A 33 14.611 4.635 0.096 1.00 0.55 C ATOM 514 O GLN A 33 14.171 5.366 0.973 1.00 0.72 O ATOM 515 CB GLN A 33 16.762 4.609 1.385 1.00 1.03 C ATOM 516 CG GLN A 33 17.781 3.687 2.043 1.00 1.73 C ATOM 517 CD GLN A 33 18.442 4.306 3.265 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.552 5.626 3.283 1.00 2.42 O flip ATOM 519 NE2 GLN A 33 18.849 3.599 4.190 1.00 2.92 N flip ATOM 0 H GLN A 33 17.111 4.916 -1.158 1.00 1.02 H new ATOM 0 HA GLN A 33 15.746 2.914 0.538 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.281 5.476 0.977 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.075 4.978 2.147 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.288 2.759 2.334 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.549 3.425 1.315 1.00 1.73 H new ATOM 0 HE21 GLN A 33 18.747 2.585 4.140 1.00 2.92 H new ATOM 0 HE22 GLN A 33 19.288 4.028 5.005 1.00 2.92 H new ATOM 528 N HIS A 34 13.959 4.413 -1.043 1.00 0.44 N ATOM 529 CA HIS A 34 12.696 5.092 -1.338 1.00 0.36 C ATOM 530 C HIS A 34 11.482 4.202 -1.069 1.00 0.32 C ATOM 531 O HIS A 34 10.386 4.705 -0.856 1.00 0.37 O ATOM 532 CB HIS A 34 12.648 5.553 -2.803 1.00 0.57 C ATOM 533 CG HIS A 34 13.538 6.716 -3.133 1.00 0.85 C ATOM 534 ND1 HIS A 34 13.733 7.900 -2.502 1.00 1.54 N flip ATOM 535 CD2 HIS A 34 14.325 6.758 -4.264 1.00 1.29 C flip ATOM 536 CE1 HIS A 34 14.622 8.620 -3.258 1.00 1.61 C flip ATOM 537 NE2 HIS A 34 14.965 7.911 -4.312 1.00 1.34 N flip ATOM 0 H HIS A 34 14.279 3.775 -1.772 1.00 0.44 H new ATOM 0 HA HIS A 34 12.653 5.954 -0.672 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.922 4.713 -3.441 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.621 5.820 -3.050 1.00 0.57 H new ATOM 0 HD2 HIS A 34 14.405 5.969 -4.997 1.00 1.29 H new ATOM 0 HE1 HIS A 34 14.983 9.611 -3.025 1.00 1.61 H new ATOM 0 HE2 HIS A 34 15.615 8.203 -5.042 1.00 1.34 H new ATOM 546 N ILE A 35 11.676 2.889 -1.091 1.00 0.38 N ATOM 547 CA ILE A 35 10.552 1.952 -1.096 1.00 0.45 C ATOM 548 C ILE A 35 10.099 1.535 0.298 1.00 0.46 C ATOM 549 O ILE A 35 9.234 0.669 0.433 1.00 0.63 O ATOM 550 CB ILE A 35 10.939 0.682 -1.851 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.122 0.024 -1.143 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.284 1.021 -3.291 1.00 1.51 C ATOM 553 CD1 ILE A 35 12.406 -1.379 -1.600 1.00 2.04 C ATOM 0 H ILE A 35 12.595 2.447 -1.106 1.00 0.38 H new ATOM 0 HA ILE A 35 9.729 2.480 -1.578 1.00 0.45 H new ATOM 0 HB ILE A 35 10.102 -0.016 -1.862 1.00 0.63 H new ATOM 0 HG12 ILE A 35 13.012 0.634 -1.302 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.930 0.014 -0.070 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.559 0.110 -3.823 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.420 1.477 -3.774 1.00 1.51 H new ATOM 0 HG23 ILE A 35 12.121 1.719 -3.310 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.259 -1.775 -1.050 1.00 2.04 H new ATOM 0 HD12 ILE A 35 11.533 -2.005 -1.416 1.00 2.04 H new ATOM 0 HD13 ILE A 35 12.632 -1.376 -2.666 1.00 2.04 H new ATOM 565 N GLN A 36 10.682 2.119 1.327 1.00 0.38 N ATOM 566 CA GLN A 36 10.500 1.585 2.668 1.00 0.37 C ATOM 567 C GLN A 36 9.332 2.236 3.411 1.00 0.35 C ATOM 568 O GLN A 36 9.475 3.259 4.088 1.00 0.35 O ATOM 569 CB GLN A 36 11.802 1.769 3.447 1.00 0.43 C ATOM 570 CG GLN A 36 12.225 3.223 3.608 1.00 0.52 C ATOM 571 CD GLN A 36 13.727 3.398 3.537 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.285 4.298 4.156 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.386 2.544 2.766 1.00 1.29 N ATOM 0 H GLN A 36 11.275 2.947 1.267 1.00 0.38 H new ATOM 0 HA GLN A 36 10.253 0.527 2.583 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.689 1.322 4.435 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.598 1.223 2.940 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.755 3.824 2.830 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.863 3.600 4.564 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.880 1.810 2.269 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.399 2.621 2.670 1.00 1.29 H new ATOM 582 N LEU A 37 8.201 1.567 3.379 1.00 0.36 N ATOM 583 CA LEU A 37 7.040 2.008 4.106 1.00 0.35 C ATOM 584 C LEU A 37 6.744 0.986 5.175 1.00 0.37 C ATOM 585 O LEU A 37 6.691 -0.211 4.911 1.00 0.48 O ATOM 586 CB LEU A 37 5.827 2.204 3.192 1.00 0.38 C ATOM 587 CG LEU A 37 5.376 0.967 2.406 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.882 1.021 2.145 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.124 0.867 1.086 1.00 0.94 C ATOM 0 H LEU A 37 8.064 0.706 2.850 1.00 0.36 H new ATOM 0 HA LEU A 37 7.246 2.981 4.553 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.991 2.550 3.799 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.056 2.999 2.482 1.00 0.38 H new ATOM 0 HG LEU A 37 5.601 0.085 3.005 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.578 0.136 1.586 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.348 1.052 3.095 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.646 1.914 1.567 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.789 -0.017 0.544 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.926 1.756 0.487 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.194 0.791 1.279 1.00 0.94 H new ATOM 601 N GLN A 38 6.542 1.445 6.372 1.00 0.34 N ATOM 602 CA GLN A 38 6.484 0.560 7.495 1.00 0.39 C ATOM 603 C GLN A 38 5.039 0.138 7.728 1.00 0.40 C ATOM 604 O GLN A 38 4.197 0.920 8.170 1.00 0.41 O ATOM 605 CB GLN A 38 7.145 1.261 8.686 1.00 0.45 C ATOM 606 CG GLN A 38 6.671 0.813 10.052 1.00 0.93 C ATOM 607 CD GLN A 38 7.505 1.401 11.175 1.00 1.37 C ATOM 608 OE1 GLN A 38 8.000 2.523 11.075 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.687 0.638 12.242 1.00 2.12 N ATOM 0 H GLN A 38 6.414 2.432 6.597 1.00 0.34 H new ATOM 0 HA GLN A 38 7.036 -0.365 7.326 1.00 0.39 H new ATOM 0 HB2 GLN A 38 8.222 1.104 8.625 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.973 2.334 8.595 1.00 0.45 H new ATOM 0 HG2 GLN A 38 5.629 1.104 10.186 1.00 0.93 H new ATOM 0 HG3 GLN A 38 6.707 -0.275 10.107 1.00 0.93 H new ATOM 0 HE21 GLN A 38 7.259 -0.287 12.287 1.00 2.12 H new ATOM 0 HE22 GLN A 38 8.255 0.975 13.019 1.00 2.12 H new ATOM 618 N LEU A 39 4.765 -1.112 7.379 1.00 0.43 N ATOM 619 CA LEU A 39 3.411 -1.632 7.367 1.00 0.46 C ATOM 620 C LEU A 39 3.177 -2.496 8.590 1.00 0.55 C ATOM 621 O LEU A 39 3.608 -3.653 8.657 1.00 0.77 O ATOM 622 CB LEU A 39 3.173 -2.422 6.067 1.00 0.61 C ATOM 623 CG LEU A 39 1.717 -2.809 5.742 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.289 -4.057 6.498 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.771 -1.659 6.054 1.00 1.45 C ATOM 0 H LEU A 39 5.474 -1.789 7.098 1.00 0.43 H new ATOM 0 HA LEU A 39 2.700 -0.807 7.400 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.561 -1.832 5.236 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.765 -3.336 6.113 1.00 0.61 H new ATOM 0 HG LEU A 39 1.669 -3.027 4.675 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.257 -4.300 6.244 1.00 1.75 H new ATOM 0 HD12 LEU A 39 1.936 -4.889 6.222 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.366 -3.877 7.570 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.251 -1.954 5.817 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.840 -1.408 7.112 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.045 -0.790 5.456 1.00 1.45 H new ATOM 637 N SER A 40 2.546 -1.902 9.581 1.00 0.46 N ATOM 638 CA SER A 40 2.195 -2.612 10.786 1.00 0.56 C ATOM 639 C SER A 40 0.690 -2.808 10.856 1.00 0.42 C ATOM 640 O SER A 40 -0.068 -2.100 10.196 1.00 0.37 O ATOM 641 CB SER A 40 2.687 -1.837 12.008 1.00 0.71 C ATOM 642 OG SER A 40 4.067 -1.546 11.886 1.00 1.38 O ATOM 0 H SER A 40 2.265 -0.921 9.572 1.00 0.46 H new ATOM 0 HA SER A 40 2.673 -3.591 10.775 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.121 -0.911 12.111 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.511 -2.420 12.912 1.00 0.71 H new ATOM 0 HG SER A 40 4.367 -1.048 12.675 1.00 1.38 H new ATOM 648 N ALA A 41 0.271 -3.766 11.667 1.00 0.56 N ATOM 649 CA ALA A 41 -1.131 -3.931 11.996 1.00 0.56 C ATOM 650 C ALA A 41 -1.271 -3.650 13.473 1.00 0.64 C ATOM 651 O ALA A 41 -0.955 -4.498 14.309 1.00 0.84 O ATOM 652 CB ALA A 41 -1.617 -5.342 11.665 1.00 0.89 C ATOM 0 H ALA A 41 0.889 -4.445 12.111 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.743 -3.246 11.408 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.672 -5.433 11.923 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.487 -5.531 10.599 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.039 -6.069 12.236 1.00 0.89 H new ATOM 658 N GLU A 42 -1.701 -2.447 13.796 1.00 0.92 N ATOM 659 CA GLU A 42 -1.586 -1.970 15.155 1.00 1.34 C ATOM 660 C GLU A 42 -2.856 -2.231 15.934 1.00 1.34 C ATOM 661 O GLU A 42 -2.807 -2.518 17.129 1.00 1.64 O ATOM 662 CB GLU A 42 -1.227 -0.490 15.185 1.00 1.88 C ATOM 663 CG GLU A 42 -0.485 -0.103 16.450 1.00 2.46 C ATOM 664 CD GLU A 42 0.296 1.192 16.317 1.00 2.62 C ATOM 665 OE1 GLU A 42 -0.276 2.266 16.604 1.00 3.12 O ATOM 666 OE2 GLU A 42 1.473 1.135 15.914 1.00 2.70 O ATOM 0 H GLU A 42 -2.128 -1.790 13.143 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.779 -2.524 15.634 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.612 -0.250 14.318 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.137 0.104 15.104 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.200 -0.005 17.267 1.00 2.46 H new ATOM 0 HG3 GLU A 42 0.200 -0.906 16.721 1.00 2.46 H new ATOM 673 N SER A 43 -3.994 -2.123 15.284 1.00 1.09 N ATOM 674 CA SER A 43 -5.214 -2.465 15.947 1.00 1.14 C ATOM 675 C SER A 43 -5.792 -3.695 15.297 1.00 1.00 C ATOM 676 O SER A 43 -5.329 -4.122 14.233 1.00 1.09 O ATOM 677 CB SER A 43 -6.196 -1.306 15.922 1.00 1.24 C ATOM 678 OG SER A 43 -5.564 -0.121 16.363 1.00 1.59 O ATOM 0 H SER A 43 -4.092 -1.808 14.319 1.00 1.09 H new ATOM 0 HA SER A 43 -5.010 -2.679 16.996 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.580 -1.167 14.912 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.051 -1.530 16.560 1.00 1.24 H new ATOM 0 HG SER A 43 -6.206 0.620 16.341 1.00 1.59 H new ATOM 684 N VAL A 44 -6.776 -4.280 15.934 1.00 0.92 N ATOM 685 CA VAL A 44 -7.424 -5.446 15.394 1.00 0.91 C ATOM 686 C VAL A 44 -8.059 -5.130 14.040 1.00 0.77 C ATOM 687 O VAL A 44 -8.915 -4.253 13.919 1.00 0.79 O ATOM 688 CB VAL A 44 -8.481 -5.982 16.380 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.513 -4.903 16.721 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.146 -7.227 15.818 1.00 1.83 C ATOM 0 H VAL A 44 -7.146 -3.965 16.831 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.671 -6.220 15.245 1.00 0.91 H new ATOM 0 HB VAL A 44 -7.979 -6.256 17.308 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.246 -5.308 17.418 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.011 -4.050 17.178 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -10.018 -4.581 15.810 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -9.890 -7.593 16.526 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.633 -6.985 14.873 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -8.393 -7.998 15.651 1.00 1.83 H new ATOM 700 N GLY A 45 -7.580 -5.803 13.010 1.00 0.73 N ATOM 701 CA GLY A 45 -8.178 -5.675 11.710 1.00 0.67 C ATOM 702 C GLY A 45 -7.563 -4.563 10.891 1.00 0.54 C ATOM 703 O GLY A 45 -7.654 -4.581 9.664 1.00 0.56 O ATOM 0 H GLY A 45 -6.783 -6.438 13.055 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.073 -6.617 11.172 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.246 -5.489 11.823 1.00 0.67 H new ATOM 707 N GLU A 46 -6.934 -3.593 11.540 1.00 0.56 N ATOM 708 CA GLU A 46 -6.399 -2.472 10.794 1.00 0.50 C ATOM 709 C GLU A 46 -4.893 -2.452 10.707 1.00 0.40 C ATOM 710 O GLU A 46 -4.168 -2.895 11.597 1.00 0.48 O ATOM 711 CB GLU A 46 -6.912 -1.137 11.305 1.00 0.75 C ATOM 712 CG GLU A 46 -6.493 -0.779 12.712 1.00 1.02 C ATOM 713 CD GLU A 46 -6.970 0.604 13.098 1.00 1.35 C ATOM 714 OE1 GLU A 46 -8.195 0.807 13.223 1.00 1.80 O ATOM 715 OE2 GLU A 46 -6.114 1.493 13.291 1.00 1.67 O ATOM 0 H GLU A 46 -6.786 -3.561 12.549 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.771 -2.623 9.781 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.569 -0.352 10.631 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.001 -1.143 11.258 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.896 -1.512 13.410 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.407 -0.826 12.792 1.00 1.02 H new ATOM 722 N VAL A 47 -4.462 -1.919 9.590 1.00 0.33 N ATOM 723 CA VAL A 47 -3.065 -1.758 9.264 1.00 0.33 C ATOM 724 C VAL A 47 -2.753 -0.289 9.094 1.00 0.33 C ATOM 725 O VAL A 47 -3.589 0.489 8.620 1.00 0.36 O ATOM 726 CB VAL A 47 -2.647 -2.509 7.987 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.732 -4.012 8.192 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.500 -2.080 6.807 1.00 0.48 C ATOM 0 H VAL A 47 -5.090 -1.576 8.863 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.500 -2.188 10.091 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.610 -2.254 7.769 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.432 -4.522 7.276 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.069 -4.306 9.005 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.757 -4.288 8.442 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.187 -2.623 5.915 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.547 -2.299 7.016 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.379 -1.010 6.641 1.00 0.48 H new ATOM 738 N TYR A 48 -1.571 0.093 9.499 1.00 0.34 N ATOM 739 CA TYR A 48 -1.168 1.472 9.409 1.00 0.36 C ATOM 740 C TYR A 48 -0.011 1.553 8.437 1.00 0.38 C ATOM 741 O TYR A 48 1.013 0.889 8.614 1.00 0.39 O ATOM 742 CB TYR A 48 -0.753 1.988 10.793 1.00 0.41 C ATOM 743 CG TYR A 48 -0.639 3.496 10.894 1.00 0.55 C ATOM 744 CD1 TYR A 48 0.490 4.153 10.427 1.00 0.91 C ATOM 745 CD2 TYR A 48 -1.661 4.262 11.442 1.00 1.47 C ATOM 746 CE1 TYR A 48 0.601 5.527 10.502 1.00 1.00 C ATOM 747 CE2 TYR A 48 -1.556 5.638 11.522 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.438 6.263 11.109 1.00 1.23 C ATOM 749 OH TYR A 48 -0.316 7.637 11.122 1.00 1.60 O ATOM 0 H TYR A 48 -0.869 -0.532 9.895 1.00 0.34 H new ATOM 0 HA TYR A 48 -1.992 2.092 9.057 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.479 1.641 11.529 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.207 1.545 11.059 1.00 0.41 H new ATOM 0 HD1 TYR A 48 1.297 3.579 9.997 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -2.551 3.775 11.811 1.00 1.47 H new ATOM 0 HE1 TYR A 48 1.469 6.030 10.102 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -2.377 6.216 11.919 1.00 1.79 H new ATOM 0 HH TYR A 48 -1.096 8.030 11.567 1.00 1.60 H new ATOM 759 N ILE A 49 -0.194 2.354 7.404 1.00 0.42 N ATOM 760 CA ILE A 49 0.790 2.474 6.350 1.00 0.44 C ATOM 761 C ILE A 49 1.557 3.759 6.555 1.00 0.42 C ATOM 762 O ILE A 49 1.068 4.850 6.267 1.00 0.52 O ATOM 763 CB ILE A 49 0.160 2.462 4.931 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.584 1.150 4.645 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.240 2.668 3.882 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.891 0.991 5.391 1.00 1.20 C ATOM 0 H ILE A 49 -1.023 2.935 7.274 1.00 0.42 H new ATOM 0 HA ILE A 49 1.449 1.608 6.407 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.563 3.276 4.888 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.781 1.086 3.575 1.00 0.62 H new ATOM 0 HG13 ILE A 49 0.068 0.315 4.900 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.790 2.658 2.889 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.731 3.627 4.048 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.975 1.867 3.955 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.346 0.036 5.128 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.703 1.020 6.464 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -2.566 1.802 5.119 1.00 1.20 H new ATOM 778 N LYS A 50 2.749 3.628 7.081 1.00 0.36 N ATOM 779 CA LYS A 50 3.505 4.782 7.483 1.00 0.37 C ATOM 780 C LYS A 50 4.833 4.831 6.771 1.00 0.35 C ATOM 781 O LYS A 50 5.390 3.812 6.389 1.00 0.36 O ATOM 782 CB LYS A 50 3.689 4.808 9.006 1.00 0.44 C ATOM 783 CG LYS A 50 4.257 3.526 9.590 1.00 0.93 C ATOM 784 CD LYS A 50 4.149 3.496 11.110 1.00 0.88 C ATOM 785 CE LYS A 50 4.991 4.580 11.763 1.00 1.35 C ATOM 786 NZ LYS A 50 4.836 4.589 13.242 1.00 1.86 N ATOM 0 H LYS A 50 3.214 2.734 7.240 1.00 0.36 H new ATOM 0 HA LYS A 50 2.944 5.672 7.199 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.349 5.635 9.266 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.725 5.010 9.473 1.00 0.44 H new ATOM 0 HG2 LYS A 50 3.727 2.671 9.172 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.303 3.427 9.298 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.106 3.622 11.402 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.467 2.520 11.477 1.00 0.88 H new ATOM 0 HE2 LYS A 50 6.040 4.427 11.509 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.705 5.552 11.362 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.427 5.343 13.648 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.840 4.761 13.486 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 5.133 3.670 13.628 1.00 1.86 H new ATOM 800 N SER A 51 5.325 6.028 6.595 1.00 0.40 N ATOM 801 CA SER A 51 6.619 6.236 6.050 1.00 0.39 C ATOM 802 C SER A 51 7.622 6.004 7.142 1.00 0.39 C ATOM 803 O SER A 51 7.515 6.557 8.241 1.00 0.48 O ATOM 804 CB SER A 51 6.705 7.695 5.584 1.00 0.48 C ATOM 805 OG SER A 51 7.945 7.981 4.971 1.00 1.10 O ATOM 0 H SER A 51 4.827 6.886 6.831 1.00 0.40 H new ATOM 0 HA SER A 51 6.813 5.564 5.214 1.00 0.39 H new ATOM 0 HB2 SER A 51 5.897 7.900 4.881 1.00 0.48 H new ATOM 0 HB3 SER A 51 6.561 8.358 6.437 1.00 0.48 H new ATOM 0 HG SER A 51 7.961 8.919 4.686 1.00 1.10 H new ATOM 811 N THR A 52 8.576 5.151 6.842 1.00 0.35 N ATOM 812 CA THR A 52 9.699 4.978 7.703 1.00 0.41 C ATOM 813 C THR A 52 10.570 6.194 7.492 1.00 0.45 C ATOM 814 O THR A 52 10.281 7.256 8.041 1.00 0.53 O ATOM 815 CB THR A 52 10.469 3.686 7.377 1.00 0.43 C ATOM 816 OG1 THR A 52 9.543 2.614 7.172 1.00 0.62 O ATOM 817 CG2 THR A 52 11.420 3.321 8.502 1.00 0.77 C ATOM 0 H THR A 52 8.586 4.570 6.004 1.00 0.35 H new ATOM 0 HA THR A 52 9.384 4.884 8.742 1.00 0.41 H new ATOM 0 HB THR A 52 11.051 3.854 6.471 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.311 2.560 6.221 1.00 0.62 H new ATOM 0 HG21 THR A 52 11.951 2.404 8.246 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.138 4.128 8.648 1.00 0.77 H new ATOM 0 HG23 THR A 52 10.855 3.168 9.421 1.00 0.77 H new ATOM 825 N GLU A 53 11.615 6.084 6.719 1.00 0.46 N ATOM 826 CA GLU A 53 12.361 7.286 6.407 1.00 0.53 C ATOM 827 C GLU A 53 11.810 7.954 5.143 1.00 0.44 C ATOM 828 O GLU A 53 11.476 9.138 5.142 1.00 0.47 O ATOM 829 CB GLU A 53 13.837 6.940 6.203 1.00 0.68 C ATOM 830 CG GLU A 53 14.467 6.213 7.381 1.00 1.43 C ATOM 831 CD GLU A 53 14.426 7.027 8.655 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.233 7.968 8.788 1.00 2.55 O ATOM 833 OE2 GLU A 53 13.590 6.730 9.530 1.00 2.11 O ATOM 0 H GLU A 53 11.964 5.219 6.306 1.00 0.46 H new ATOM 0 HA GLU A 53 12.260 7.981 7.240 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.935 6.321 5.311 1.00 0.68 H new ATOM 0 HB3 GLU A 53 14.393 7.859 6.016 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.947 5.268 7.541 1.00 1.43 H new ATOM 0 HG3 GLU A 53 15.502 5.970 7.142 1.00 1.43 H new ATOM 840 N THR A 54 11.696 7.164 4.087 1.00 0.36 N ATOM 841 CA THR A 54 11.237 7.641 2.785 1.00 0.30 C ATOM 842 C THR A 54 9.931 6.985 2.314 1.00 0.31 C ATOM 843 O THR A 54 9.659 6.978 1.118 1.00 0.38 O ATOM 844 CB THR A 54 12.347 7.420 1.745 1.00 0.40 C ATOM 845 OG1 THR A 54 13.628 7.575 2.378 1.00 1.13 O ATOM 846 CG2 THR A 54 12.247 8.413 0.599 1.00 0.93 C ATOM 0 H THR A 54 11.919 6.169 4.106 1.00 0.36 H new ATOM 0 HA THR A 54 11.017 8.703 2.894 1.00 0.30 H new ATOM 0 HB THR A 54 12.232 6.414 1.342 1.00 0.40 H new ATOM 0 HG1 THR A 54 14.219 6.844 2.103 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.048 8.225 -0.116 1.00 0.93 H new ATOM 0 HG22 THR A 54 11.283 8.299 0.102 1.00 0.93 H new ATOM 0 HG23 THR A 54 12.338 9.427 0.988 1.00 0.93 H new ATOM 854 N GLY A 55 9.121 6.413 3.201 1.00 0.33 N ATOM 855 CA GLY A 55 8.322 5.304 2.729 1.00 0.40 C ATOM 856 C GLY A 55 6.942 5.585 2.191 1.00 0.46 C ATOM 857 O GLY A 55 6.512 4.784 1.369 1.00 0.56 O ATOM 0 H GLY A 55 9.007 6.678 4.179 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.886 4.800 1.945 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.219 4.597 3.552 1.00 0.40 H new ATOM 861 N GLN A 56 6.244 6.649 2.644 1.00 0.43 N ATOM 862 CA GLN A 56 5.173 7.326 1.859 1.00 0.54 C ATOM 863 C GLN A 56 4.064 7.943 2.749 1.00 0.56 C ATOM 864 O GLN A 56 3.774 7.456 3.842 1.00 0.63 O ATOM 865 CB GLN A 56 4.568 6.429 0.761 1.00 0.81 C ATOM 866 CG GLN A 56 3.725 5.286 1.271 1.00 0.91 C ATOM 867 CD GLN A 56 2.349 5.754 1.542 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.705 5.288 2.464 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.896 6.688 0.714 1.00 1.06 N ATOM 0 H GLN A 56 6.402 7.067 3.561 1.00 0.43 H new ATOM 0 HA GLN A 56 5.677 8.152 1.356 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.957 7.047 0.102 1.00 0.81 H new ATOM 0 HB3 GLN A 56 5.378 6.023 0.156 1.00 0.81 H new ATOM 0 HG2 GLN A 56 3.706 4.481 0.536 1.00 0.91 H new ATOM 0 HG3 GLN A 56 4.165 4.877 2.181 1.00 0.91 H new ATOM 0 HE21 GLN A 56 2.491 7.034 -0.039 1.00 1.06 H new ATOM 0 HE22 GLN A 56 0.953 7.059 0.831 1.00 1.06 H new ATOM 878 N TYR A 57 3.387 8.968 2.228 1.00 0.57 N ATOM 879 CA TYR A 57 2.289 9.628 2.942 1.00 0.62 C ATOM 880 C TYR A 57 0.964 9.205 2.372 1.00 0.59 C ATOM 881 O TYR A 57 0.342 9.934 1.615 1.00 0.67 O ATOM 882 CB TYR A 57 2.449 11.171 2.918 1.00 0.76 C ATOM 883 CG TYR A 57 1.186 11.989 3.146 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.529 11.989 4.368 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.655 12.764 2.119 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.621 12.734 4.558 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.490 13.511 2.303 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.127 13.494 3.523 1.00 3.91 C ATOM 889 OH TYR A 57 -2.277 14.228 3.704 1.00 4.98 O ATOM 0 H TYR A 57 3.581 9.362 1.307 1.00 0.57 H new ATOM 0 HA TYR A 57 2.324 9.316 3.986 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.178 11.450 3.679 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.870 11.455 1.954 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.921 11.399 5.183 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.149 12.781 1.159 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.122 12.721 5.515 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.885 14.107 1.493 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.494 14.706 2.876 1.00 4.98 H new ATOM 899 N LEU A 58 0.493 8.043 2.749 1.00 0.55 N ATOM 900 CA LEU A 58 -0.697 7.553 2.091 1.00 0.58 C ATOM 901 C LEU A 58 -1.900 8.302 2.549 1.00 0.56 C ATOM 902 O LEU A 58 -2.233 8.393 3.728 1.00 0.72 O ATOM 903 CB LEU A 58 -0.924 6.059 2.234 1.00 0.70 C ATOM 904 CG LEU A 58 -1.043 5.350 0.886 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.902 3.845 1.047 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.368 5.686 0.220 1.00 1.85 C ATOM 0 H LEU A 58 0.889 7.442 3.471 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.531 7.729 1.028 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -0.100 5.623 2.798 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.832 5.887 2.812 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.232 5.703 0.249 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.991 3.365 0.072 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.073 3.615 1.478 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.687 3.475 1.707 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.434 5.172 -0.739 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -3.189 5.365 0.861 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.432 6.762 0.060 1.00 1.85 H new ATOM 918 N ALA A 59 -2.512 8.857 1.553 1.00 0.47 N ATOM 919 CA ALA A 59 -3.634 9.714 1.701 1.00 0.46 C ATOM 920 C ALA A 59 -4.675 9.246 0.719 1.00 0.46 C ATOM 921 O ALA A 59 -4.536 9.441 -0.492 1.00 0.51 O ATOM 922 CB ALA A 59 -3.211 11.155 1.433 1.00 0.54 C ATOM 0 H ALA A 59 -2.231 8.718 0.582 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.042 9.681 2.711 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.072 11.814 1.546 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.436 11.445 2.143 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.822 11.237 0.418 1.00 0.54 H new ATOM 928 N MET A 60 -5.694 8.591 1.228 1.00 0.48 N ATOM 929 CA MET A 60 -6.719 8.062 0.366 1.00 0.52 C ATOM 930 C MET A 60 -7.709 9.164 0.040 1.00 0.55 C ATOM 931 O MET A 60 -8.351 9.724 0.930 1.00 0.74 O ATOM 932 CB MET A 60 -7.433 6.910 1.073 1.00 0.66 C ATOM 933 CG MET A 60 -7.854 5.786 0.150 1.00 1.76 C ATOM 934 SD MET A 60 -6.440 4.999 -0.634 1.00 2.80 S ATOM 935 CE MET A 60 -7.216 3.541 -1.318 1.00 3.74 C ATOM 0 H MET A 60 -5.832 8.415 2.223 1.00 0.48 H new ATOM 0 HA MET A 60 -6.274 7.691 -0.557 1.00 0.52 H new ATOM 0 HB2 MET A 60 -6.775 6.507 1.843 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.316 7.300 1.580 1.00 0.66 H new ATOM 0 HG2 MET A 60 -8.416 5.043 0.716 1.00 1.76 H new ATOM 0 HG3 MET A 60 -8.523 6.177 -0.616 1.00 1.76 H new ATOM 0 HE1 MET A 60 -6.466 2.933 -1.825 1.00 3.74 H new ATOM 0 HE2 MET A 60 -7.671 2.961 -0.515 1.00 3.74 H new ATOM 0 HE3 MET A 60 -7.984 3.839 -2.032 1.00 3.74 H new ATOM 945 N ASP A 61 -7.841 9.461 -1.241 1.00 0.51 N ATOM 946 CA ASP A 61 -8.693 10.545 -1.675 1.00 0.56 C ATOM 947 C ASP A 61 -10.029 9.986 -2.072 1.00 0.56 C ATOM 948 O ASP A 61 -10.209 9.489 -3.185 1.00 0.64 O ATOM 949 CB ASP A 61 -8.051 11.314 -2.822 1.00 0.71 C ATOM 950 CG ASP A 61 -8.985 12.326 -3.448 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.586 13.130 -2.702 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.140 12.312 -4.685 1.00 1.34 O ATOM 0 H ASP A 61 -7.368 8.965 -1.996 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.832 11.250 -0.855 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.161 11.826 -2.456 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.722 10.609 -3.586 1.00 0.71 H new ATOM 957 N THR A 62 -10.918 10.010 -1.087 1.00 0.65 N ATOM 958 CA THR A 62 -12.233 9.413 -1.131 1.00 0.83 C ATOM 959 C THR A 62 -12.193 7.913 -1.428 1.00 0.87 C ATOM 960 O THR A 62 -13.226 7.265 -1.384 1.00 1.31 O ATOM 961 CB THR A 62 -13.182 10.145 -2.094 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.734 10.063 -3.452 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.336 11.603 -1.691 1.00 1.55 C ATOM 0 H THR A 62 -10.726 10.470 -0.197 1.00 0.65 H new ATOM 0 HA THR A 62 -12.639 9.529 -0.126 1.00 0.83 H new ATOM 0 HB THR A 62 -14.150 9.648 -2.028 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.943 9.486 -3.501 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.011 12.103 -2.385 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.745 11.660 -0.682 1.00 1.55 H new ATOM 0 HG23 THR A 62 -12.362 12.092 -1.716 1.00 1.55 H new ATOM 971 N ASP A 63 -10.985 7.393 -1.691 1.00 0.78 N ATOM 972 CA ASP A 63 -10.710 5.967 -1.923 1.00 0.88 C ATOM 973 C ASP A 63 -10.832 5.668 -3.412 1.00 0.87 C ATOM 974 O ASP A 63 -10.856 4.526 -3.858 1.00 0.96 O ATOM 975 CB ASP A 63 -11.610 5.069 -1.065 1.00 1.05 C ATOM 976 CG ASP A 63 -11.247 3.606 -1.144 1.00 1.19 C ATOM 977 OD1 ASP A 63 -10.052 3.291 -1.056 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.168 2.770 -1.217 1.00 1.42 O ATOM 0 H ASP A 63 -10.147 7.971 -1.750 1.00 0.78 H new ATOM 0 HA ASP A 63 -9.690 5.742 -1.612 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -11.551 5.395 -0.026 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -12.645 5.196 -1.381 1.00 1.05 H new ATOM 983 N GLY A 64 -10.875 6.745 -4.179 1.00 0.82 N ATOM 984 CA GLY A 64 -10.944 6.642 -5.618 1.00 0.89 C ATOM 985 C GLY A 64 -9.573 6.708 -6.241 1.00 0.90 C ATOM 986 O GLY A 64 -9.336 6.146 -7.307 1.00 1.17 O ATOM 0 H GLY A 64 -10.863 7.701 -3.823 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.426 5.704 -5.894 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.564 7.447 -6.013 1.00 0.89 H new ATOM 990 N LEU A 65 -8.670 7.401 -5.568 1.00 0.72 N ATOM 991 CA LEU A 65 -7.270 7.474 -5.999 1.00 0.71 C ATOM 992 C LEU A 65 -6.351 7.591 -4.790 1.00 0.67 C ATOM 993 O LEU A 65 -6.623 8.352 -3.858 1.00 0.79 O ATOM 994 CB LEU A 65 -7.012 8.658 -6.940 1.00 0.74 C ATOM 995 CG LEU A 65 -7.906 8.751 -8.180 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.736 10.105 -8.853 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.591 7.636 -9.169 1.00 2.04 C ATOM 0 H LEU A 65 -8.875 7.925 -4.717 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.059 6.554 -6.545 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.124 9.579 -6.368 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -5.974 8.612 -7.270 1.00 0.74 H new ATOM 0 HG LEU A 65 -8.941 8.639 -7.857 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.377 10.157 -9.733 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -8.012 10.895 -8.155 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.696 10.234 -9.154 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.241 7.727 -10.039 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -6.550 7.712 -9.484 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -7.756 6.670 -8.693 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.281 6.812 -4.801 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.310 6.803 -3.706 1.00 0.68 C ATOM 1011 C LEU A 66 -3.121 7.728 -4.008 1.00 0.63 C ATOM 1012 O LEU A 66 -2.386 7.494 -4.973 1.00 0.73 O ATOM 1013 CB LEU A 66 -3.742 5.383 -3.517 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.723 4.217 -3.300 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -5.788 4.121 -4.380 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -3.953 2.913 -3.259 1.00 1.56 C ATOM 0 H LEU A 66 -5.057 6.170 -5.562 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.831 7.144 -2.811 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.139 5.149 -4.394 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -3.065 5.409 -2.663 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.233 4.408 -2.356 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -6.447 3.279 -4.168 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -6.371 5.042 -4.399 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -5.311 3.973 -5.349 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -4.646 2.086 -3.105 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -3.424 2.773 -4.202 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -3.234 2.941 -2.440 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.885 8.775 -3.225 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.597 9.450 -3.395 1.00 0.63 C ATOM 1030 C TYR A 67 -0.882 9.547 -2.067 1.00 0.70 C ATOM 1031 O TYR A 67 -1.509 9.774 -1.053 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.769 10.837 -4.040 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.271 11.928 -3.115 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.618 11.999 -2.778 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.408 12.871 -2.568 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.092 12.975 -1.926 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -1.877 13.855 -1.713 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.167 13.961 -1.437 1.00 1.21 C ATOM 1039 OH TYR A 67 -3.694 14.872 -0.541 1.00 1.64 O ATOM 0 H TYR A 67 -3.512 9.156 -2.517 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.986 8.855 -4.074 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.810 11.148 -4.453 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.462 10.746 -4.876 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.306 11.276 -3.191 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.357 12.836 -2.813 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.131 12.998 -1.634 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.179 14.546 -1.265 1.00 1.16 H new ATOM 0 HH TYR A 67 -2.995 15.500 -0.263 1.00 1.64 H new ATOM 1049 N GLY A 68 0.439 9.442 -2.075 1.00 0.66 N ATOM 1050 CA GLY A 68 1.160 9.444 -0.826 1.00 0.80 C ATOM 1051 C GLY A 68 2.641 9.642 -0.960 1.00 0.81 C ATOM 1052 O GLY A 68 3.265 8.976 -1.773 1.00 0.85 O ATOM 0 H GLY A 68 1.015 9.357 -2.913 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.757 10.233 -0.190 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.978 8.499 -0.315 1.00 0.80 H new ATOM 1056 N SER A 69 3.238 10.514 -0.152 1.00 0.91 N ATOM 1057 CA SER A 69 4.714 10.586 -0.175 1.00 1.08 C ATOM 1058 C SER A 69 5.458 10.899 1.150 1.00 1.38 C ATOM 1059 O SER A 69 6.313 10.124 1.561 1.00 1.62 O ATOM 1060 CB SER A 69 5.138 11.617 -1.214 1.00 1.08 C ATOM 1061 OG SER A 69 4.557 11.332 -2.477 1.00 1.39 O ATOM 0 H SER A 69 2.767 11.149 0.493 1.00 0.91 H new ATOM 0 HA SER A 69 5.011 9.563 -0.407 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.838 12.613 -0.888 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.224 11.625 -1.302 1.00 1.08 H new ATOM 0 HG SER A 69 5.148 11.654 -3.189 1.00 1.39 H new ATOM 1067 N GLN A 70 5.137 11.987 1.826 1.00 1.49 N ATOM 1068 CA GLN A 70 6.058 12.499 2.872 1.00 1.85 C ATOM 1069 C GLN A 70 5.900 11.894 4.284 1.00 1.93 C ATOM 1070 O GLN A 70 6.886 11.539 4.932 1.00 2.19 O ATOM 1071 CB GLN A 70 5.930 14.021 2.962 1.00 2.07 C ATOM 1072 CG GLN A 70 6.893 14.665 3.951 1.00 2.63 C ATOM 1073 CD GLN A 70 8.353 14.480 3.571 1.00 3.22 C ATOM 1074 OE1 GLN A 70 8.922 15.297 2.850 1.00 3.66 O ATOM 1075 NE2 GLN A 70 8.967 13.409 4.056 1.00 3.79 N ATOM 0 H GLN A 70 4.283 12.529 1.692 1.00 1.49 H new ATOM 0 HA GLN A 70 7.047 12.182 2.542 1.00 1.85 H new ATOM 0 HB2 GLN A 70 6.100 14.449 1.974 1.00 2.07 H new ATOM 0 HB3 GLN A 70 4.909 14.273 3.248 1.00 2.07 H new ATOM 0 HG2 GLN A 70 6.674 15.731 4.020 1.00 2.63 H new ATOM 0 HG3 GLN A 70 6.725 14.240 4.941 1.00 2.63 H new ATOM 0 HE21 GLN A 70 8.458 12.755 4.651 1.00 3.79 H new ATOM 0 HE22 GLN A 70 9.948 13.239 3.834 1.00 3.79 H new ATOM 1084 N THR A 71 4.670 11.770 4.735 1.00 1.75 N ATOM 1085 CA THR A 71 4.367 11.533 6.156 1.00 1.78 C ATOM 1086 C THR A 71 3.410 10.359 6.348 1.00 1.56 C ATOM 1087 O THR A 71 3.044 9.722 5.400 1.00 1.63 O ATOM 1088 CB THR A 71 3.743 12.798 6.765 1.00 1.94 C ATOM 1089 OG1 THR A 71 2.824 13.387 5.835 1.00 2.26 O ATOM 1090 CG2 THR A 71 4.813 13.807 7.150 1.00 2.31 C ATOM 0 H THR A 71 3.844 11.828 4.139 1.00 1.75 H new ATOM 0 HA THR A 71 5.303 11.289 6.658 1.00 1.78 H new ATOM 0 HB THR A 71 3.207 12.511 7.670 1.00 1.94 H new ATOM 0 HG1 THR A 71 2.226 12.695 5.484 1.00 2.26 H new ATOM 0 HG21 THR A 71 4.342 14.692 7.578 1.00 2.31 H new ATOM 0 HG22 THR A 71 5.485 13.363 7.884 1.00 2.31 H new ATOM 0 HG23 THR A 71 5.381 14.091 6.264 1.00 2.31 H new ATOM 1098 N PRO A 72 3.032 9.985 7.574 1.00 1.41 N ATOM 1099 CA PRO A 72 1.872 9.138 7.759 1.00 1.20 C ATOM 1100 C PRO A 72 0.755 9.804 8.582 1.00 1.04 C ATOM 1101 O PRO A 72 0.835 9.884 9.809 1.00 1.06 O ATOM 1102 CB PRO A 72 2.485 8.027 8.587 1.00 1.31 C ATOM 1103 CG PRO A 72 3.549 8.714 9.426 1.00 1.49 C ATOM 1104 CD PRO A 72 3.770 10.098 8.825 1.00 1.53 C ATOM 0 HA PRO A 72 1.399 8.857 6.818 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.737 7.542 9.215 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.919 7.254 7.953 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.229 8.792 10.465 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.475 8.139 9.420 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.379 10.891 9.463 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.826 10.312 8.662 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.292 10.268 7.915 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.455 10.806 8.609 1.00 0.86 C ATOM 1114 C ASN A 73 -2.401 9.654 8.754 1.00 0.68 C ATOM 1115 O ASN A 73 -2.060 8.553 8.309 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.091 11.962 7.827 1.00 0.98 C ATOM 1117 CG ASN A 73 -2.783 11.525 6.551 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -2.444 10.505 5.952 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -3.752 12.309 6.118 1.00 2.17 N ATOM 0 H ASN A 73 -0.361 10.283 6.897 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.184 11.225 9.578 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.814 12.468 8.467 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -1.319 12.691 7.580 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -4.249 12.078 5.258 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -4.004 13.146 6.643 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.588 9.813 9.297 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.476 8.772 8.943 1.00 0.47 C ATOM 1128 C GLU A 74 -5.440 9.324 7.940 1.00 0.52 C ATOM 1129 O GLU A 74 -6.409 10.017 8.228 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.244 8.231 10.152 1.00 0.49 C ATOM 1131 CG GLU A 74 -4.378 7.926 11.362 1.00 1.15 C ATOM 1132 CD GLU A 74 -4.269 9.109 12.298 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.192 9.305 13.112 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -3.270 9.851 12.220 1.00 2.11 O ATOM 0 H GLU A 74 -3.919 10.559 9.908 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.903 7.940 8.534 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.004 8.958 10.439 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.768 7.322 9.857 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.796 7.076 11.901 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.382 7.635 11.030 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.092 8.944 6.747 1.00 0.49 N ATOM 1142 CA GLU A 75 -5.946 8.709 5.620 1.00 0.52 C ATOM 1143 C GLU A 75 -5.530 7.365 5.074 1.00 0.40 C ATOM 1144 O GLU A 75 -6.237 6.737 4.288 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.723 9.764 4.558 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.269 11.130 4.927 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.785 11.179 4.921 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.410 10.683 5.875 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -8.364 11.729 3.960 1.00 1.69 O ATOM 0 H GLU A 75 -4.113 8.775 6.517 1.00 0.49 H new ATOM 0 HA GLU A 75 -6.997 8.739 5.906 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.654 9.851 4.364 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.190 9.435 3.629 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -5.905 11.406 5.917 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.883 11.871 4.227 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.297 6.986 5.455 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.684 5.760 4.987 1.00 0.47 C ATOM 1158 C CYS A 76 -4.291 4.519 5.637 1.00 0.40 C ATOM 1159 O CYS A 76 -3.946 3.401 5.269 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.190 5.790 5.308 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.829 5.908 7.077 1.00 1.40 S ATOM 0 H CYS A 76 -3.712 7.527 6.092 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.860 5.700 3.913 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.724 4.889 4.910 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.734 6.637 4.796 1.00 0.68 H new ATOM 0 HG CYS A 76 -2.175 7.083 7.513 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.187 4.709 6.600 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.665 3.596 7.399 1.00 0.46 C ATOM 1169 C LEU A 77 -6.501 2.667 6.559 1.00 0.39 C ATOM 1170 O LEU A 77 -7.528 3.061 6.000 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.486 4.084 8.593 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.672 4.527 9.807 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.599 4.975 10.924 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.776 3.395 10.285 1.00 1.59 C ATOM 0 H LEU A 77 -5.591 5.614 6.841 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.793 3.060 7.773 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.108 4.919 8.269 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.160 3.285 8.900 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.042 5.368 9.517 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -6.007 5.288 11.784 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.208 5.810 10.578 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.248 4.148 11.212 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -4.202 3.726 11.151 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.389 2.538 10.562 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.093 3.109 9.485 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.076 1.425 6.497 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.768 0.440 5.729 1.00 0.39 C ATOM 1188 C PHE A 78 -7.099 -0.750 6.621 1.00 0.36 C ATOM 1189 O PHE A 78 -6.504 -0.912 7.689 1.00 0.41 O ATOM 1190 CB PHE A 78 -5.908 -0.014 4.550 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.504 1.088 3.604 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.342 2.164 3.355 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.276 1.043 2.965 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.963 3.172 2.489 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.891 2.047 2.099 1.00 0.78 C ATOM 1196 CZ PHE A 78 -4.735 3.113 1.860 1.00 0.84 C ATOM 0 H PHE A 78 -5.245 1.080 6.978 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.690 0.871 5.338 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.007 -0.490 4.937 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.455 -0.773 3.990 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.304 2.215 3.844 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.611 0.212 3.147 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -6.626 4.004 2.304 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.930 1.998 1.609 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.436 3.899 1.183 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.045 -1.571 6.204 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.378 -2.765 6.959 1.00 0.37 C ATOM 1208 C LEU A 79 -7.811 -3.975 6.231 1.00 0.35 C ATOM 1209 O LEU A 79 -7.944 -4.095 5.010 1.00 0.35 O ATOM 1210 CB LEU A 79 -9.896 -2.871 7.167 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.381 -3.954 8.142 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -11.764 -3.603 8.661 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.422 -5.323 7.473 1.00 1.09 C ATOM 0 H LEU A 79 -8.592 -1.435 5.354 1.00 0.37 H new ATOM 0 HA LEU A 79 -7.933 -2.717 7.953 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.260 -1.906 7.520 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.361 -3.052 6.198 1.00 0.44 H new ATOM 0 HG LEU A 79 -9.676 -3.997 8.972 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.100 -4.376 9.352 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -11.726 -2.645 9.179 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.460 -3.536 7.825 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -10.769 -6.068 8.189 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.103 -5.292 6.623 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.423 -5.590 7.128 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.189 -4.862 6.986 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.421 -5.963 6.412 1.00 0.42 C ATOM 1227 C GLU A 80 -7.250 -7.236 6.327 1.00 0.40 C ATOM 1228 O GLU A 80 -7.625 -7.811 7.350 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.194 -6.274 7.272 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.224 -7.236 6.595 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.264 -7.902 7.559 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.698 -8.790 8.323 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.073 -7.522 7.573 1.00 2.07 O ATOM 0 H GLU A 80 -7.198 -4.845 8.006 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.122 -5.646 5.413 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.674 -5.345 7.504 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.520 -6.702 8.220 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.793 -8.005 6.071 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.653 -6.694 5.842 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.538 -7.670 5.111 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.148 -8.963 4.899 1.00 0.39 C ATOM 1242 C ARG A 81 -7.356 -9.675 3.824 1.00 0.48 C ATOM 1243 O ARG A 81 -7.519 -9.382 2.652 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.611 -8.803 4.474 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.394 -10.106 4.468 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.839 -9.884 4.048 1.00 1.34 C ATOM 1247 NE ARG A 81 -12.658 -11.075 4.264 1.00 2.05 N ATOM 1248 CZ ARG A 81 -13.945 -11.170 3.933 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -14.560 -10.161 3.326 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -14.618 -12.280 4.206 1.00 3.75 N ATOM 0 H ARG A 81 -7.357 -7.142 4.257 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.137 -9.543 5.822 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.100 -8.099 5.147 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.644 -8.365 3.476 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -9.920 -10.814 3.787 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.367 -10.553 5.462 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -12.257 -9.049 4.611 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.872 -9.607 2.994 1.00 1.34 H new ATOM 0 HE ARG A 81 -12.216 -11.886 4.696 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -14.047 -9.306 3.110 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -15.546 -10.241 3.076 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -14.150 -13.059 4.669 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -15.603 -12.354 3.953 1.00 3.75 H new ATOM 1264 N LEU A 82 -6.518 -10.612 4.200 1.00 0.60 N ATOM 1265 CA LEU A 82 -5.673 -11.272 3.224 1.00 0.82 C ATOM 1266 C LEU A 82 -6.336 -12.544 2.733 1.00 0.66 C ATOM 1267 O LEU A 82 -6.397 -13.540 3.453 1.00 0.84 O ATOM 1268 CB LEU A 82 -4.281 -11.562 3.822 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.249 -12.444 5.076 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -3.607 -13.789 4.768 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.498 -11.746 6.198 1.00 1.65 C ATOM 0 H LEU A 82 -6.401 -10.934 5.161 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.537 -10.609 2.370 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -3.671 -12.038 3.054 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -3.807 -10.610 4.061 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.276 -12.617 5.399 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.593 -14.401 5.670 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -4.181 -14.297 3.993 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -2.586 -13.634 4.420 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.485 -12.386 7.080 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -2.475 -11.545 5.881 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -3.995 -10.806 6.439 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.896 -12.512 1.532 1.00 0.76 N ATOM 1284 CA GLU A 83 -7.471 -13.731 1.012 1.00 0.82 C ATOM 1285 C GLU A 83 -6.803 -14.160 -0.283 1.00 1.29 C ATOM 1286 O GLU A 83 -7.085 -13.640 -1.358 1.00 2.03 O ATOM 1287 CB GLU A 83 -8.993 -13.602 0.841 1.00 1.39 C ATOM 1288 CG GLU A 83 -9.452 -12.426 -0.006 1.00 1.89 C ATOM 1289 CD GLU A 83 -10.959 -12.391 -0.160 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -11.520 -13.337 -0.761 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -11.591 -11.428 0.321 1.00 2.48 O ATOM 0 H GLU A 83 -6.961 -11.693 0.927 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.286 -14.515 1.746 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -9.371 -14.521 0.393 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -9.448 -13.518 1.828 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -9.113 -11.496 0.450 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -8.988 -12.486 -0.991 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.893 -15.090 -0.138 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.527 -16.066 -1.148 1.00 1.78 C ATOM 1300 C GLU A 84 -5.061 -17.274 -0.377 1.00 1.46 C ATOM 1301 O GLU A 84 -4.293 -18.089 -0.861 1.00 1.49 O ATOM 1302 CB GLU A 84 -4.428 -15.568 -2.086 1.00 2.65 C ATOM 1303 CG GLU A 84 -4.919 -14.643 -3.186 1.00 3.44 C ATOM 1304 CD GLU A 84 -5.843 -15.333 -4.163 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -5.350 -15.910 -5.149 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -7.073 -15.301 -3.949 1.00 3.98 O ATOM 0 H GLU A 84 -5.360 -15.197 0.725 1.00 1.26 H new ATOM 0 HA GLU A 84 -6.376 -16.281 -1.797 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -3.673 -15.046 -1.498 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -3.938 -16.428 -2.542 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -5.439 -13.796 -2.737 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -4.062 -14.241 -3.726 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.467 -17.296 0.887 1.00 1.98 N ATOM 1314 CA ASN A 85 -4.822 -18.113 1.911 1.00 2.36 C ATOM 1315 C ASN A 85 -3.319 -17.860 1.936 1.00 1.83 C ATOM 1316 O ASN A 85 -2.535 -18.674 2.424 1.00 2.36 O ATOM 1317 CB ASN A 85 -5.132 -19.602 1.739 1.00 3.24 C ATOM 1318 CG ASN A 85 -6.589 -19.921 2.011 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -6.984 -20.132 3.154 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -7.395 -19.974 0.962 1.00 4.33 N ATOM 0 H ASN A 85 -6.254 -16.747 1.233 1.00 1.98 H new ATOM 0 HA ASN A 85 -5.235 -17.814 2.874 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.878 -19.909 0.724 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -4.503 -20.182 2.414 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -8.382 -20.196 1.088 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -7.029 -19.792 0.028 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.945 -16.706 1.402 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.561 -16.251 1.382 1.00 1.29 C ATOM 1329 C HIS A 86 -1.450 -14.761 1.005 1.00 1.07 C ATOM 1330 O HIS A 86 -0.604 -14.049 1.540 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.733 -17.109 0.411 1.00 2.00 C ATOM 1332 CG HIS A 86 0.737 -16.789 0.383 1.00 2.54 C ATOM 1333 ND1 HIS A 86 1.547 -17.092 -0.690 1.00 3.33 N ATOM 1334 CD2 HIS A 86 1.545 -16.209 1.304 1.00 3.02 C ATOM 1335 CE1 HIS A 86 2.784 -16.713 -0.429 1.00 3.99 C ATOM 1336 NE2 HIS A 86 2.814 -16.174 0.775 1.00 3.81 N ATOM 0 H HIS A 86 -3.598 -16.054 0.967 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.164 -16.364 2.391 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -0.857 -18.158 0.679 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -1.136 -16.987 -0.594 1.00 2.00 H new ATOM 0 HD2 HIS A 86 1.247 -15.842 2.275 1.00 3.02 H new ATOM 0 HE1 HIS A 86 3.630 -16.825 -1.090 1.00 3.99 H new ATOM 0 HE2 HIS A 86 3.641 -15.795 1.237 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.295 -14.289 0.092 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.164 -12.922 -0.425 1.00 0.49 C ATOM 1347 C TYR A 87 -3.097 -11.947 0.297 1.00 0.46 C ATOM 1348 O TYR A 87 -4.218 -12.298 0.695 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.435 -12.877 -1.930 1.00 0.61 C ATOM 1350 CG TYR A 87 -1.428 -13.625 -2.786 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.241 -14.997 -2.652 1.00 1.38 C ATOM 1352 CD2 TYR A 87 -0.679 -12.957 -3.745 1.00 1.67 C ATOM 1353 CE1 TYR A 87 -0.337 -15.676 -3.443 1.00 2.16 C ATOM 1354 CE2 TYR A 87 0.224 -13.631 -4.543 1.00 2.52 C ATOM 1355 CZ TYR A 87 0.390 -14.989 -4.389 1.00 2.70 C ATOM 1356 OH TYR A 87 1.289 -15.660 -5.184 1.00 3.60 O ATOM 0 H TYR A 87 -3.070 -14.822 -0.303 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.136 -12.611 -0.238 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.426 -13.289 -2.118 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.457 -11.835 -2.249 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -1.814 -15.541 -1.915 1.00 1.38 H new ATOM 0 HD2 TYR A 87 -0.805 -11.892 -3.869 1.00 1.67 H new ATOM 0 HE1 TYR A 87 -0.201 -16.740 -3.321 1.00 2.16 H new ATOM 0 HE2 TYR A 87 0.798 -13.095 -5.285 1.00 2.52 H new ATOM 0 HH TYR A 87 0.985 -16.582 -5.316 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.639 -10.703 0.404 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.286 -9.697 1.228 1.00 0.38 C ATOM 1368 C ASN A 88 -4.242 -8.863 0.409 1.00 0.34 C ATOM 1369 O ASN A 88 -3.983 -8.557 -0.755 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.236 -8.776 1.847 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.295 -9.493 2.791 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -1.550 -9.580 3.991 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -0.196 -10.007 2.257 1.00 1.60 N ATOM 0 H ASN A 88 -1.807 -10.367 -0.081 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.842 -10.212 2.012 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.656 -8.310 1.050 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.739 -7.973 2.386 1.00 0.43 H new ATOM 0 HD21 ASN A 88 0.476 -10.497 2.847 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -0.023 -9.912 1.256 1.00 1.60 H new ATOM 1380 N THR A 89 -5.357 -8.527 1.013 1.00 0.36 N ATOM 1381 CA THR A 89 -6.295 -7.621 0.414 1.00 0.37 C ATOM 1382 C THR A 89 -6.554 -6.511 1.415 1.00 0.37 C ATOM 1383 O THR A 89 -6.347 -6.704 2.609 1.00 0.40 O ATOM 1384 CB THR A 89 -7.593 -8.353 0.047 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.270 -9.602 -0.584 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.445 -7.518 -0.896 1.00 0.49 C ATOM 0 H THR A 89 -5.635 -8.875 1.931 1.00 0.36 H new ATOM 0 HA THR A 89 -5.895 -7.206 -0.511 1.00 0.37 H new ATOM 0 HB THR A 89 -8.161 -8.527 0.961 1.00 0.44 H new ATOM 0 HG1 THR A 89 -8.097 -10.073 -0.818 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.358 -8.061 -1.139 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.702 -6.574 -0.415 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.887 -7.319 -1.811 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.964 -5.353 0.956 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.166 -4.238 1.857 1.00 0.42 C ATOM 1396 C TYR A 90 -8.405 -3.459 1.480 1.00 0.38 C ATOM 1397 O TYR A 90 -8.615 -3.129 0.313 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.935 -3.323 1.873 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.729 -3.955 2.537 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.545 -3.882 3.913 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.766 -4.606 1.784 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.432 -4.440 4.515 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.654 -5.169 2.379 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.541 -5.147 3.774 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.376 -5.640 4.329 1.00 0.87 O ATOM 0 H TYR A 90 -7.163 -5.156 -0.025 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.309 -4.637 2.861 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.678 -3.053 0.849 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.185 -2.398 2.393 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.283 -3.381 4.522 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.887 -4.675 0.713 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.272 -4.313 5.575 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.881 -5.621 1.775 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.865 -6.120 3.644 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.237 -3.187 2.467 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.403 -2.381 2.261 1.00 0.35 C ATOM 1417 C ILE A 91 -10.121 -1.032 2.871 1.00 0.36 C ATOM 1418 O ILE A 91 -9.330 -0.932 3.815 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.639 -3.038 2.910 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.919 -2.295 2.523 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.497 -3.097 4.419 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -14.167 -2.849 3.174 1.00 1.55 C ATOM 0 H ILE A 91 -9.117 -3.520 3.424 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.622 -2.279 1.198 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.707 -4.059 2.534 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -12.814 -1.245 2.795 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.037 -2.334 1.440 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.382 -3.565 4.850 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -10.615 -3.682 4.679 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -11.392 -2.087 4.814 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -15.033 -2.271 2.851 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -14.297 -3.891 2.882 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -14.071 -2.785 4.258 1.00 1.55 H new ATOM 1434 N SER A 92 -10.729 0.003 2.356 1.00 0.36 N ATOM 1435 CA SER A 92 -10.465 1.306 2.881 1.00 0.40 C ATOM 1436 C SER A 92 -11.417 1.529 4.008 1.00 0.43 C ATOM 1437 O SER A 92 -12.624 1.562 3.812 1.00 0.53 O ATOM 1438 CB SER A 92 -10.650 2.386 1.816 1.00 0.47 C ATOM 1439 OG SER A 92 -11.994 2.444 1.373 1.00 1.33 O ATOM 0 H SER A 92 -11.398 -0.033 1.587 1.00 0.36 H new ATOM 0 HA SER A 92 -9.431 1.367 3.220 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.356 3.354 2.221 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.994 2.182 0.970 1.00 0.47 H new ATOM 0 HG SER A 92 -12.591 2.184 2.105 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.898 1.627 5.209 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.771 1.891 6.311 1.00 0.54 C ATOM 1447 C LYS A 93 -12.159 3.369 6.311 1.00 0.57 C ATOM 1448 O LYS A 93 -12.923 3.828 7.154 1.00 0.72 O ATOM 1449 CB LYS A 93 -11.212 1.369 7.644 1.00 0.65 C ATOM 1450 CG LYS A 93 -9.774 1.730 7.967 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.530 1.628 9.468 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.856 0.232 9.991 1.00 1.20 C ATOM 1453 NZ LYS A 93 -10.066 0.211 11.465 1.00 1.58 N ATOM 0 H LYS A 93 -9.909 1.531 5.437 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.693 1.324 6.187 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -11.846 1.742 8.448 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -11.299 0.283 7.648 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -9.096 1.063 7.435 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -9.560 2.742 7.624 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -8.489 1.866 9.686 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -10.141 2.365 9.989 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -10.753 -0.139 9.494 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -9.044 -0.448 9.733 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -10.200 -0.770 11.783 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -9.235 0.618 11.940 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -10.910 0.771 11.703 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.669 4.079 5.284 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.179 5.390 4.921 1.00 0.67 C ATOM 1469 C LYS A 94 -13.649 5.214 4.570 1.00 0.79 C ATOM 1470 O LYS A 94 -14.535 5.644 5.305 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.398 5.957 3.712 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.755 7.390 3.333 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.182 8.390 4.325 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.532 9.820 3.944 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.951 10.809 4.888 1.00 2.32 N ATOM 0 H LYS A 94 -10.908 3.752 4.688 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.060 6.094 5.745 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.332 5.910 3.932 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.574 5.314 2.850 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.375 7.608 2.335 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.839 7.497 3.292 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.565 8.174 5.322 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -10.099 8.279 4.369 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -11.170 10.025 2.937 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -12.616 9.934 3.922 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -10.694 11.674 4.370 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.650 11.040 5.623 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -10.101 10.407 5.333 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.900 4.575 3.434 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.241 4.122 3.102 1.00 0.96 C ATOM 1491 C HIS A 95 -15.489 2.677 3.511 1.00 1.01 C ATOM 1492 O HIS A 95 -16.079 1.909 2.744 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.541 4.308 1.615 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.788 5.729 1.259 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.822 6.542 0.728 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.888 6.497 1.405 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.310 7.752 0.573 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.566 7.755 0.972 1.00 2.32 N ATOM 0 H HIS A 95 -13.194 4.360 2.730 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.923 4.747 3.678 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.704 3.930 1.028 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.413 3.712 1.346 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -13.873 6.253 0.490 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -17.845 6.178 1.792 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.771 8.603 0.183 1.00 2.27 H new ATOM 1507 N ALA A 96 -15.065 2.309 4.716 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.295 0.952 5.217 1.00 1.02 C ATOM 1509 C ALA A 96 -16.775 0.632 5.210 1.00 1.03 C ATOM 1510 O ALA A 96 -17.193 -0.461 4.823 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.749 0.791 6.625 1.00 1.18 C ATOM 0 H ALA A 96 -14.565 2.922 5.360 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.771 0.260 4.558 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.933 -0.226 6.973 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.676 0.985 6.624 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.245 1.497 7.291 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.556 1.624 5.608 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.997 1.490 5.722 1.00 1.16 C ATOM 1519 C GLU A 97 -19.621 1.080 4.388 1.00 1.07 C ATOM 1520 O GLU A 97 -20.615 0.357 4.359 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.590 2.818 6.199 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.997 2.698 6.758 1.00 2.04 C ATOM 1523 CD GLU A 97 -21.056 1.793 7.969 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -20.450 2.137 9.003 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.722 0.737 7.897 1.00 3.42 O ATOM 0 H GLU A 97 -17.205 2.548 5.862 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.220 0.707 6.446 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -18.940 3.241 6.965 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.599 3.521 5.366 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.364 3.688 7.028 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.661 2.312 5.985 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.039 1.542 3.284 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.588 1.242 1.965 1.00 0.88 C ATOM 1534 C LYS A 98 -18.896 0.051 1.303 1.00 0.83 C ATOM 1535 O LYS A 98 -19.263 -0.336 0.193 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.484 2.470 1.058 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.305 3.649 1.552 1.00 1.41 C ATOM 1538 CD LYS A 98 -21.740 3.232 1.814 1.00 1.98 C ATOM 1539 CE LYS A 98 -22.603 4.400 2.253 1.00 2.14 C ATOM 1540 NZ LYS A 98 -23.984 3.961 2.577 1.00 2.65 N ATOM 0 H LYS A 98 -18.198 2.119 3.275 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.635 0.975 2.108 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.439 2.770 0.981 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.813 2.201 0.054 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.864 4.048 2.466 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.283 4.449 0.812 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -22.160 2.791 0.910 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -21.758 2.460 2.583 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -22.157 4.876 3.126 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -22.634 5.149 1.462 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -24.549 4.782 2.874 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -24.417 3.529 1.736 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -23.955 3.264 3.348 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.872 -0.492 1.965 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.206 -1.722 1.513 1.00 0.84 C ATOM 1556 C ASN A 99 -16.267 -1.427 0.339 1.00 0.68 C ATOM 1557 O ASN A 99 -15.913 -2.327 -0.424 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.221 -2.826 1.139 1.00 1.01 C ATOM 1559 CG ASN A 99 -17.577 -4.192 0.920 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -16.586 -4.525 1.734 1.00 1.96 O flip ATOM 1561 ND2 ASN A 99 -17.990 -4.956 0.044 1.00 2.00 N flip ATOM 0 H ASN A 99 -17.482 -0.099 2.821 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.614 -2.097 2.348 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -18.967 -2.907 1.930 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.749 -2.532 0.232 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.755 -4.667 -0.565 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -17.566 -5.877 -0.071 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.878 -0.167 0.162 1.00 0.54 N ATOM 1569 CA TRP A 100 -15.070 0.196 -0.982 1.00 0.44 C ATOM 1570 C TRP A 100 -13.624 -0.237 -0.741 1.00 0.41 C ATOM 1571 O TRP A 100 -13.144 -0.230 0.393 1.00 0.45 O ATOM 1572 CB TRP A 100 -15.197 1.692 -1.254 1.00 0.51 C ATOM 1573 CG TRP A 100 -14.978 2.054 -2.696 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -15.101 1.226 -3.775 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.619 3.337 -3.219 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -14.834 1.914 -4.934 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -14.531 3.212 -4.617 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.356 4.575 -2.641 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -14.194 4.285 -5.439 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.014 5.633 -3.463 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -13.936 5.484 -4.839 1.00 1.01 C ATOM 0 H TRP A 100 -16.108 0.604 0.789 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.423 -0.321 -1.874 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -16.188 2.027 -0.949 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -14.476 2.229 -0.638 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -15.369 0.181 -3.725 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -14.858 1.523 -5.876 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -14.418 4.707 -1.571 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -14.139 4.173 -6.512 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.803 6.597 -3.023 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -13.666 6.333 -5.449 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.940 -0.611 -1.806 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.705 -1.369 -1.689 1.00 0.51 C ATOM 1594 C PHE A 101 -10.489 -0.483 -1.886 1.00 0.55 C ATOM 1595 O PHE A 101 -10.537 0.486 -2.636 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.660 -2.507 -2.715 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.782 -3.505 -2.612 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -14.003 -3.258 -3.216 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.604 -4.702 -1.935 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.026 -4.183 -3.151 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.627 -5.630 -1.862 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.838 -5.370 -2.473 1.00 0.77 C ATOM 0 H PHE A 101 -13.218 -0.402 -2.765 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.683 -1.785 -0.682 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.670 -2.074 -3.715 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.713 -3.036 -2.606 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.157 -2.329 -3.745 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.657 -4.912 -1.460 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.972 -3.978 -3.630 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -13.479 -6.557 -1.328 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.637 -6.095 -2.420 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.404 -0.821 -1.211 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.138 -0.164 -1.460 1.00 0.55 C ATOM 1614 C VAL A 102 -7.434 -0.889 -2.583 1.00 0.50 C ATOM 1615 O VAL A 102 -7.112 -2.071 -2.465 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.220 -0.179 -0.223 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.839 0.371 -0.556 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.845 0.608 0.903 1.00 1.27 C ATOM 0 H VAL A 102 -9.376 -1.543 -0.491 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.345 0.875 -1.715 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.100 -1.214 0.097 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.213 0.348 0.336 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.382 -0.239 -1.335 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.932 1.399 -0.908 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.185 0.589 1.770 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -7.997 1.640 0.585 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.805 0.165 1.167 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.232 -0.197 -3.683 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.560 -0.803 -4.796 1.00 0.61 C ATOM 1630 C GLY A 103 -5.520 0.086 -5.392 1.00 0.54 C ATOM 1631 O GLY A 103 -5.678 1.305 -5.532 1.00 0.66 O ATOM 0 H GLY A 103 -7.521 0.771 -3.824 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -6.095 -1.734 -4.472 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -7.292 -1.062 -5.560 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.453 -0.511 -5.755 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.387 0.232 -6.338 1.00 0.50 C ATOM 1637 C LEU A 104 -2.858 -0.460 -7.551 1.00 0.59 C ATOM 1638 O LEU A 104 -3.054 -1.657 -7.717 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.303 0.462 -5.311 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.958 -0.704 -4.404 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -1.091 -1.718 -5.130 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -1.262 -0.173 -3.173 1.00 1.27 C ATOM 0 H LEU A 104 -4.285 -1.513 -5.663 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.764 1.203 -6.661 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.397 0.763 -5.836 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.602 1.302 -4.684 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.872 -1.218 -4.107 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.857 -2.544 -4.458 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.627 -2.098 -6.000 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.166 -1.241 -5.453 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -1.009 -1.002 -2.512 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.351 0.349 -3.467 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.924 0.518 -2.651 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.206 0.269 -8.417 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.384 -0.417 -9.371 1.00 0.54 C ATOM 1656 C LYS A 105 0.044 -0.036 -9.148 1.00 0.49 C ATOM 1657 O LYS A 105 0.520 0.960 -9.637 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.817 -0.115 -10.799 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.338 -1.152 -11.795 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.800 -0.491 -13.041 1.00 1.55 C ATOM 1661 CE LYS A 105 -0.499 -1.507 -14.130 1.00 1.97 C ATOM 1662 NZ LYS A 105 -0.188 -0.856 -15.430 1.00 2.09 N ATOM 0 H LYS A 105 -2.224 1.287 -8.482 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.497 -1.492 -9.229 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.905 -0.057 -10.838 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.435 0.864 -11.089 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -0.562 -1.768 -11.341 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.160 -1.818 -12.057 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.525 0.234 -13.410 1.00 1.55 H new ATOM 0 HD3 LYS A 105 0.108 0.061 -12.797 1.00 1.55 H new ATOM 0 HE2 LYS A 105 0.344 -2.127 -13.824 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.355 -2.171 -14.253 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 0.011 -1.585 -16.144 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -1.002 -0.285 -15.736 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 0.644 -0.242 -15.321 1.00 2.09 H new ATOM 1676 N LYS A 106 0.749 -0.920 -8.501 1.00 0.46 N ATOM 1677 CA LYS A 106 2.136 -0.681 -8.178 1.00 0.44 C ATOM 1678 C LYS A 106 2.983 -0.883 -9.413 1.00 0.44 C ATOM 1679 O LYS A 106 4.122 -0.455 -9.468 1.00 0.46 O ATOM 1680 CB LYS A 106 2.620 -1.536 -6.989 1.00 0.51 C ATOM 1681 CG LYS A 106 3.697 -2.563 -7.318 1.00 0.81 C ATOM 1682 CD LYS A 106 3.153 -3.785 -8.051 1.00 1.11 C ATOM 1683 CE LYS A 106 4.285 -4.710 -8.469 1.00 1.02 C ATOM 1684 NZ LYS A 106 3.809 -5.927 -9.174 1.00 1.57 N ATOM 0 H LYS A 106 0.388 -1.819 -8.183 1.00 0.46 H new ATOM 0 HA LYS A 106 2.240 0.353 -7.851 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.002 -0.869 -6.216 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.762 -2.058 -6.565 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.466 -2.091 -7.930 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.178 -2.885 -6.394 1.00 0.81 H new ATOM 0 HD2 LYS A 106 2.457 -4.322 -7.406 1.00 1.11 H new ATOM 0 HD3 LYS A 106 2.592 -3.468 -8.930 1.00 1.11 H new ATOM 0 HE2 LYS A 106 4.971 -4.166 -9.118 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.850 -5.006 -7.585 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.619 -6.543 -9.389 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 3.136 -6.439 -8.568 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.338 -5.653 -10.060 1.00 1.57 H new ATOM 1698 N ASN A 107 2.440 -1.554 -10.418 1.00 0.50 N ATOM 1699 CA ASN A 107 3.187 -1.677 -11.653 1.00 0.56 C ATOM 1700 C ASN A 107 3.215 -0.313 -12.331 1.00 0.60 C ATOM 1701 O ASN A 107 3.975 -0.080 -13.268 1.00 0.70 O ATOM 1702 CB ASN A 107 2.514 -2.684 -12.601 1.00 0.67 C ATOM 1703 CG ASN A 107 2.707 -4.131 -12.211 1.00 1.47 C ATOM 1704 OD1 ASN A 107 2.752 -4.466 -11.037 1.00 2.40 O ATOM 1705 ND2 ASN A 107 2.816 -5.001 -13.202 1.00 1.84 N ATOM 0 H ASN A 107 1.524 -2.003 -10.405 1.00 0.50 H new ATOM 0 HA ASN A 107 4.194 -2.028 -11.428 1.00 0.56 H new ATOM 0 HB2 ASN A 107 1.446 -2.470 -12.640 1.00 0.67 H new ATOM 0 HB3 ASN A 107 2.906 -2.536 -13.607 1.00 0.67 H new ATOM 0 HD21 ASN A 107 2.943 -5.992 -12.999 1.00 1.84 H new ATOM 0 HD22 ASN A 107 2.773 -4.680 -14.169 1.00 1.84 H new ATOM 1712 N GLY A 108 2.374 0.584 -11.822 1.00 0.56 N ATOM 1713 CA GLY A 108 2.408 1.977 -12.206 1.00 0.65 C ATOM 1714 C GLY A 108 2.563 2.873 -11.001 1.00 0.60 C ATOM 1715 O GLY A 108 3.652 3.157 -10.514 1.00 0.71 O ATOM 0 H GLY A 108 1.655 0.358 -11.135 1.00 0.56 H new ATOM 0 HA2 GLY A 108 3.234 2.146 -12.897 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.491 2.233 -12.737 1.00 0.65 H new ATOM 1719 N SER A 109 1.394 3.171 -10.464 1.00 0.53 N ATOM 1720 CA SER A 109 1.169 4.114 -9.396 1.00 0.64 C ATOM 1721 C SER A 109 -0.155 3.718 -8.767 1.00 0.54 C ATOM 1722 O SER A 109 -1.023 3.168 -9.454 1.00 0.54 O ATOM 1723 CB SER A 109 1.119 5.541 -9.944 1.00 0.93 C ATOM 1724 OG SER A 109 0.497 5.571 -11.215 1.00 1.50 O ATOM 0 H SER A 109 0.530 2.733 -10.784 1.00 0.53 H new ATOM 0 HA SER A 109 1.973 4.094 -8.661 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.573 6.182 -9.252 1.00 0.93 H new ATOM 0 HB3 SER A 109 2.130 5.942 -10.020 1.00 0.93 H new ATOM 0 HG SER A 109 0.474 6.493 -11.546 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.342 3.963 -7.495 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.453 3.337 -6.820 1.00 0.82 C ATOM 1732 C CYS A 110 -2.688 4.229 -6.848 1.00 0.66 C ATOM 1733 O CYS A 110 -2.751 5.197 -6.150 1.00 1.17 O ATOM 1734 CB CYS A 110 -0.984 3.146 -5.391 1.00 1.35 C ATOM 1735 SG CYS A 110 0.524 2.154 -5.243 1.00 2.32 S ATOM 0 H CYS A 110 0.240 4.572 -6.919 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.735 2.399 -7.299 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.810 4.124 -4.942 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.779 2.669 -4.818 1.00 1.35 H new ATOM 0 HG CYS A 110 1.563 2.916 -5.413 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.636 3.924 -7.724 1.00 0.72 N ATOM 1742 CA LYS A 111 -4.905 4.633 -7.791 1.00 1.00 C ATOM 1743 C LYS A 111 -6.027 3.661 -8.102 1.00 0.75 C ATOM 1744 O LYS A 111 -6.122 3.290 -9.259 1.00 1.56 O ATOM 1745 CB LYS A 111 -4.856 5.715 -8.869 1.00 2.13 C ATOM 1746 CG LYS A 111 -3.642 5.657 -9.807 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.564 4.367 -10.627 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.159 4.657 -12.065 1.00 3.01 C ATOM 1749 NZ LYS A 111 -1.989 5.574 -12.152 1.00 3.59 N ATOM 0 H LYS A 111 -3.545 3.175 -8.410 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.089 5.103 -6.825 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -5.762 5.645 -9.471 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.871 6.690 -8.382 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -3.677 6.508 -10.487 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -2.732 5.758 -9.216 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.844 3.687 -10.173 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -4.531 3.864 -10.612 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -2.921 3.720 -12.568 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -4.003 5.098 -12.595 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -1.605 5.556 -13.118 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -2.288 6.542 -11.917 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -1.256 5.266 -11.482 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.898 3.262 -7.206 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.042 2.466 -7.669 1.00 1.36 C ATOM 1765 C ARG A 112 -9.345 2.770 -6.936 1.00 1.14 C ATOM 1766 O ARG A 112 -9.604 2.186 -5.903 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.746 0.964 -7.603 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.519 0.541 -8.398 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.839 0.227 -9.862 1.00 4.09 C ATOM 1770 NE ARG A 112 -7.092 1.428 -10.658 1.00 4.81 N ATOM 1771 CZ ARG A 112 -7.169 1.454 -11.988 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.032 0.336 -12.690 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -7.380 2.603 -12.616 1.00 6.59 N ATOM 0 H ARG A 112 -6.857 3.454 -6.205 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.188 2.762 -8.708 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.608 0.676 -6.561 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.613 0.416 -7.973 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.773 1.335 -8.356 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.075 -0.338 -7.931 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.008 -0.325 -10.300 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.713 -0.423 -9.907 1.00 4.09 H new ATOM 0 HE ARG A 112 -7.219 2.309 -10.159 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.867 -0.550 -12.212 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -7.092 0.362 -13.708 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -7.483 3.465 -12.081 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -7.439 2.624 -13.634 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.171 3.646 -7.458 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.555 3.666 -7.028 1.00 0.76 C ATOM 1789 C GLY A 113 -12.469 2.909 -7.980 1.00 0.77 C ATOM 1790 O GLY A 113 -13.124 1.948 -7.583 1.00 0.80 O ATOM 0 H GLY A 113 -9.921 4.339 -8.163 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.630 3.229 -6.032 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.893 4.699 -6.949 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.537 3.313 -9.260 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.419 2.670 -10.244 1.00 1.07 C ATOM 1796 C PRO A 114 -13.159 1.170 -10.419 1.00 0.90 C ATOM 1797 O PRO A 114 -14.039 0.436 -10.861 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.108 3.412 -11.548 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.533 4.716 -11.124 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.795 4.445 -9.846 1.00 1.03 C ATOM 0 HA PRO A 114 -14.460 2.731 -9.928 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.403 2.851 -12.162 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.009 3.554 -12.145 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.862 5.113 -11.886 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.317 5.458 -10.972 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.751 4.190 -10.030 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.799 5.313 -9.187 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.955 0.711 -10.082 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.600 -0.681 -10.281 1.00 0.74 C ATOM 1810 C ARG A 115 -11.579 -1.462 -8.971 1.00 0.69 C ATOM 1811 O ARG A 115 -11.450 -2.686 -8.997 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.237 -0.805 -10.970 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.263 -0.600 -12.482 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.716 0.798 -12.873 1.00 1.63 C ATOM 1815 NE ARG A 115 -10.354 1.123 -14.249 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.031 1.964 -15.029 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -12.166 2.512 -14.608 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -10.585 2.230 -16.247 1.00 2.62 N ATOM 0 H ARG A 115 -11.217 1.284 -9.673 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.371 -1.111 -10.921 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.556 -0.076 -10.530 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.827 -1.793 -10.758 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.268 -0.782 -12.887 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -10.930 -1.334 -12.933 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.797 0.876 -12.754 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -10.268 1.527 -12.198 1.00 1.63 H new ATOM 0 HE ARG A 115 -9.525 0.675 -14.640 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -12.526 2.290 -13.680 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -12.677 3.155 -15.213 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -9.727 1.792 -16.583 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -11.099 2.873 -16.849 1.00 2.62 H new ATOM 1832 N THR A 116 -11.670 -0.783 -7.824 1.00 0.61 N ATOM 1833 CA THR A 116 -11.720 -1.497 -6.565 1.00 0.75 C ATOM 1834 C THR A 116 -13.073 -2.160 -6.342 1.00 0.85 C ATOM 1835 O THR A 116 -14.083 -1.531 -6.011 1.00 1.23 O ATOM 1836 CB THR A 116 -11.319 -0.621 -5.393 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.860 0.692 -5.538 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.806 -0.572 -5.315 1.00 1.13 C ATOM 0 H THR A 116 -11.709 0.234 -7.750 1.00 0.61 H new ATOM 0 HA THR A 116 -10.980 -2.295 -6.627 1.00 0.75 H new ATOM 0 HB THR A 116 -11.717 -1.042 -4.470 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.129 1.339 -5.629 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.505 0.055 -4.476 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.416 -1.580 -5.173 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.407 -0.156 -6.240 1.00 1.13 H new ATOM 1846 N HIS A 117 -13.014 -3.458 -6.532 1.00 0.70 N ATOM 1847 CA HIS A 117 -14.130 -4.367 -6.668 1.00 0.77 C ATOM 1848 C HIS A 117 -13.465 -5.513 -7.389 1.00 0.68 C ATOM 1849 O HIS A 117 -12.260 -5.395 -7.672 1.00 0.61 O ATOM 1850 CB HIS A 117 -15.261 -3.743 -7.513 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.472 -4.611 -7.690 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -17.463 -4.737 -6.741 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.848 -5.400 -8.724 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -18.390 -5.565 -7.182 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -18.041 -5.981 -8.383 1.00 2.85 N ATOM 0 H HIS A 117 -12.119 -3.942 -6.601 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.613 -4.642 -5.730 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.568 -2.807 -7.047 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.864 -3.494 -8.497 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.307 -5.545 -9.648 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -19.284 -5.853 -6.649 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.572 -6.630 -8.964 1.00 2.85 H new ATOM 1864 N TYR A 118 -14.117 -6.600 -7.733 1.00 0.73 N ATOM 1865 CA TYR A 118 -13.369 -7.494 -8.569 1.00 0.69 C ATOM 1866 C TYR A 118 -13.543 -6.993 -9.985 1.00 0.68 C ATOM 1867 O TYR A 118 -14.381 -7.453 -10.763 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.835 -8.946 -8.427 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.879 -9.941 -9.055 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -11.514 -9.889 -8.799 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -13.347 -10.933 -9.909 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -10.645 -10.799 -9.377 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -12.485 -11.843 -10.487 1.00 3.13 C ATOM 1874 CZ TYR A 118 -11.109 -11.761 -10.199 1.00 3.19 C ATOM 1875 OH TYR A 118 -10.277 -12.680 -10.800 1.00 4.11 O ATOM 0 H TYR A 118 -15.068 -6.867 -7.477 1.00 0.73 H new ATOM 0 HA TYR A 118 -12.319 -7.501 -8.278 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.953 -9.182 -7.369 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.817 -9.053 -8.889 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -11.125 -9.127 -8.139 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -14.404 -10.993 -10.124 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -9.587 -10.737 -9.168 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -12.861 -12.607 -11.151 1.00 3.13 H new ATOM 0 HH TYR A 118 -10.808 -13.289 -11.354 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.715 -5.992 -10.254 1.00 0.62 N ATOM 1886 CA GLY A 119 -12.467 -5.479 -11.565 1.00 0.65 C ATOM 1887 C GLY A 119 -11.091 -5.891 -11.990 1.00 0.65 C ATOM 1888 O GLY A 119 -10.859 -6.358 -13.105 1.00 0.73 O ATOM 0 H GLY A 119 -12.186 -5.508 -9.528 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -13.209 -5.860 -12.266 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.554 -4.392 -11.568 1.00 0.65 H new ATOM 1892 N GLN A 120 -10.179 -5.731 -11.037 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.765 -5.968 -11.256 1.00 0.64 C ATOM 1894 C GLN A 120 -8.136 -6.615 -10.036 1.00 0.62 C ATOM 1895 O GLN A 120 -8.451 -6.259 -8.901 1.00 0.56 O ATOM 1896 CB GLN A 120 -8.042 -4.650 -11.551 1.00 0.67 C ATOM 1897 CG GLN A 120 -8.252 -4.142 -12.967 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.317 -3.007 -13.330 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -7.671 -2.123 -14.105 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.107 -3.031 -12.791 1.00 2.13 N ATOM 0 H GLN A 120 -10.405 -5.432 -10.088 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.666 -6.637 -12.110 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.386 -3.892 -10.848 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.974 -4.785 -11.377 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -8.107 -4.964 -13.668 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -9.283 -3.807 -13.078 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -5.849 -3.782 -12.151 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -5.434 -2.299 -13.016 1.00 2.13 H new ATOM 1909 N LYS A 121 -7.226 -7.546 -10.269 1.00 0.75 N ATOM 1910 CA LYS A 121 -6.474 -8.153 -9.187 1.00 0.78 C ATOM 1911 C LYS A 121 -5.222 -7.321 -8.923 1.00 0.70 C ATOM 1912 O LYS A 121 -4.168 -7.824 -8.547 1.00 0.75 O ATOM 1913 CB LYS A 121 -6.150 -9.623 -9.497 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.674 -10.414 -8.284 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.589 -10.208 -7.079 1.00 1.94 C ATOM 1916 CE LYS A 121 -7.889 -10.989 -7.198 1.00 2.28 C ATOM 1917 NZ LYS A 121 -7.749 -12.393 -6.722 1.00 2.85 N ATOM 0 H LYS A 121 -6.991 -7.897 -11.198 1.00 0.75 H new ATOM 0 HA LYS A 121 -7.076 -8.161 -8.278 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -7.039 -10.103 -9.907 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -5.382 -9.662 -10.269 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -5.635 -11.474 -8.534 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -4.660 -10.110 -8.027 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.066 -10.514 -6.173 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -6.814 -9.147 -6.974 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -8.666 -10.488 -6.621 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -8.216 -10.991 -8.238 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -8.659 -12.886 -6.822 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -7.027 -12.881 -7.289 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -7.463 -12.394 -5.722 1.00 2.85 H new ATOM 1931 N ALA A 122 -5.369 -6.018 -9.143 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.411 -5.035 -8.667 1.00 0.72 C ATOM 1933 C ALA A 122 -4.701 -4.774 -7.195 1.00 0.54 C ATOM 1934 O ALA A 122 -4.036 -3.987 -6.520 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.514 -3.757 -9.487 1.00 0.92 C ATOM 0 H ALA A 122 -6.155 -5.618 -9.655 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.392 -5.406 -8.778 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.790 -3.029 -9.119 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.306 -3.979 -10.534 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.520 -3.346 -9.396 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.756 -5.430 -6.731 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.078 -5.500 -5.322 1.00 0.44 C ATOM 1943 C ILE A 123 -5.414 -6.749 -4.721 1.00 0.40 C ATOM 1944 O ILE A 123 -5.773 -7.218 -3.641 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.612 -5.540 -5.112 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.288 -4.482 -5.989 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -7.970 -5.302 -3.651 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.796 -4.470 -5.875 1.00 1.37 C ATOM 0 H ILE A 123 -6.413 -5.930 -7.330 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.700 -4.610 -4.819 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.968 -6.530 -5.397 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.904 -3.499 -5.717 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -8.013 -4.655 -7.029 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.053 -5.335 -3.532 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.513 -6.075 -3.034 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.601 -4.325 -3.340 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -10.204 -3.695 -6.524 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -10.191 -5.440 -6.175 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -10.081 -4.266 -4.843 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.449 -7.302 -5.454 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.659 -8.422 -4.952 1.00 0.43 C ATOM 1962 C LEU A 124 -2.372 -7.896 -4.336 1.00 0.37 C ATOM 1963 O LEU A 124 -1.405 -7.617 -5.049 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.325 -9.392 -6.085 1.00 0.63 C ATOM 1965 CG LEU A 124 -2.756 -10.741 -5.647 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -3.803 -11.533 -4.882 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -2.261 -11.528 -6.852 1.00 1.83 C ATOM 0 H LEU A 124 -4.197 -6.994 -6.393 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.240 -8.953 -4.198 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -4.230 -9.570 -6.667 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.607 -8.913 -6.751 1.00 0.63 H new ATOM 0 HG LEU A 124 -1.909 -10.562 -4.985 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -3.383 -12.491 -4.577 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.109 -10.973 -3.998 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.669 -11.704 -5.521 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -1.859 -12.486 -6.521 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -3.089 -11.700 -7.539 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -1.479 -10.963 -7.360 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.352 -7.785 -3.014 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.266 -7.107 -2.327 1.00 0.45 C ATOM 1981 C PHE A 125 -0.208 -8.070 -1.818 1.00 0.36 C ATOM 1982 O PHE A 125 -0.531 -9.082 -1.183 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.802 -6.325 -1.119 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.686 -5.148 -1.443 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.942 -5.329 -1.992 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.261 -3.858 -1.171 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.753 -4.247 -2.269 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -3.066 -2.774 -1.448 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.313 -2.968 -1.998 1.00 0.85 C ATOM 0 H PHE A 125 -3.076 -8.156 -2.399 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.814 -6.439 -3.060 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.361 -7.012 -0.484 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.954 -5.969 -0.534 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.292 -6.328 -2.206 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -1.285 -3.699 -0.736 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.732 -4.402 -2.698 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -2.719 -1.774 -1.234 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.946 -2.120 -2.217 1.00 0.85 H new ATOM 1999 N LEU A 126 1.061 -7.751 -2.084 1.00 0.36 N ATOM 2000 CA LEU A 126 2.145 -8.424 -1.405 1.00 0.49 C ATOM 2001 C LEU A 126 3.077 -7.387 -0.799 1.00 0.48 C ATOM 2002 O LEU A 126 3.716 -6.611 -1.513 1.00 0.49 O ATOM 2003 CB LEU A 126 2.909 -9.340 -2.363 1.00 0.68 C ATOM 2004 CG LEU A 126 2.155 -10.597 -2.805 1.00 1.22 C ATOM 2005 CD1 LEU A 126 2.965 -11.372 -3.832 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.839 -11.480 -1.604 1.00 1.96 C ATOM 0 H LEU A 126 1.350 -7.040 -2.756 1.00 0.36 H new ATOM 0 HA LEU A 126 1.733 -9.048 -0.612 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.179 -8.767 -3.250 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.840 -9.644 -1.884 1.00 0.68 H new ATOM 0 HG LEU A 126 1.216 -10.289 -3.266 1.00 1.22 H new ATOM 0 HD11 LEU A 126 2.413 -12.262 -4.134 1.00 1.98 H new ATOM 0 HD12 LEU A 126 3.145 -10.743 -4.704 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.919 -11.668 -3.395 1.00 1.98 H new ATOM 0 HD21 LEU A 126 1.303 -12.369 -1.937 1.00 1.96 H new ATOM 0 HD22 LEU A 126 2.768 -11.777 -1.117 1.00 1.96 H new ATOM 0 HD23 LEU A 126 1.220 -10.926 -0.898 1.00 1.96 H new ATOM 2018 N PRO A 127 3.148 -7.352 0.532 1.00 0.54 N ATOM 2019 CA PRO A 127 4.029 -6.476 1.263 1.00 0.55 C ATOM 2020 C PRO A 127 5.197 -7.239 1.873 1.00 0.53 C ATOM 2021 O PRO A 127 5.038 -7.974 2.849 1.00 0.66 O ATOM 2022 CB PRO A 127 3.091 -5.960 2.361 1.00 0.72 C ATOM 2023 CG PRO A 127 2.056 -7.044 2.547 1.00 0.81 C ATOM 2024 CD PRO A 127 2.288 -8.076 1.462 1.00 0.68 C ATOM 0 HA PRO A 127 4.487 -5.700 0.650 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.635 -5.773 3.287 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.626 -5.018 2.070 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.146 -7.497 3.534 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.050 -6.631 2.477 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.770 -8.973 1.849 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.356 -8.392 0.994 1.00 0.68 H new ATOM 2032 N LEU A 128 6.373 -7.063 1.302 1.00 0.44 N ATOM 2033 CA LEU A 128 7.539 -7.769 1.790 1.00 0.46 C ATOM 2034 C LEU A 128 8.388 -6.827 2.609 1.00 0.39 C ATOM 2035 O LEU A 128 8.673 -5.709 2.189 1.00 0.39 O ATOM 2036 CB LEU A 128 8.360 -8.376 0.652 1.00 0.56 C ATOM 2037 CG LEU A 128 7.720 -9.578 -0.044 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.709 -10.222 -1.003 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.224 -10.595 0.975 1.00 1.47 C ATOM 0 H LEU A 128 6.545 -6.445 0.509 1.00 0.44 H new ATOM 0 HA LEU A 128 7.199 -8.596 2.413 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.547 -7.602 -0.093 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.330 -8.679 1.047 1.00 0.56 H new ATOM 0 HG LEU A 128 6.861 -9.225 -0.615 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.239 -11.076 -1.491 1.00 1.34 H new ATOM 0 HD12 LEU A 128 9.011 -9.495 -1.757 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.586 -10.557 -0.450 1.00 1.34 H new ATOM 0 HD21 LEU A 128 6.773 -11.440 0.455 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.062 -10.945 1.578 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.481 -10.129 1.622 1.00 1.47 H new ATOM 2051 N PRO A 129 8.789 -7.261 3.796 1.00 0.41 N ATOM 2052 CA PRO A 129 9.511 -6.416 4.722 1.00 0.40 C ATOM 2053 C PRO A 129 11.009 -6.415 4.462 1.00 0.48 C ATOM 2054 O PRO A 129 11.573 -7.393 3.964 1.00 0.55 O ATOM 2055 CB PRO A 129 9.174 -7.057 6.057 1.00 0.48 C ATOM 2056 CG PRO A 129 9.072 -8.514 5.757 1.00 0.68 C ATOM 2057 CD PRO A 129 8.563 -8.614 4.341 1.00 0.53 C ATOM 0 HA PRO A 129 9.234 -5.364 4.651 1.00 0.40 H new ATOM 0 HB2 PRO A 129 9.947 -6.858 6.799 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.238 -6.668 6.459 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.042 -9.002 5.858 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.393 -9.008 6.451 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.104 -9.371 3.773 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.508 -8.887 4.312 1.00 0.53 H new ATOM 2065 N VAL A 130 11.642 -5.300 4.782 1.00 0.56 N ATOM 2066 CA VAL A 130 13.057 -5.144 4.542 1.00 0.76 C ATOM 2067 C VAL A 130 13.806 -5.609 5.768 1.00 0.97 C ATOM 2068 O VAL A 130 13.343 -5.435 6.899 1.00 1.03 O ATOM 2069 CB VAL A 130 13.443 -3.684 4.225 1.00 0.93 C ATOM 2070 CG1 VAL A 130 14.869 -3.601 3.699 1.00 1.43 C ATOM 2071 CG2 VAL A 130 12.471 -3.065 3.230 1.00 1.36 C ATOM 0 H VAL A 130 11.193 -4.490 5.210 1.00 0.56 H new ATOM 0 HA VAL A 130 13.321 -5.742 3.670 1.00 0.76 H new ATOM 0 HB VAL A 130 13.387 -3.116 5.154 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.117 -2.562 3.483 1.00 1.43 H new ATOM 0 HG12 VAL A 130 15.557 -3.990 4.450 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.955 -4.192 2.787 1.00 1.43 H new ATOM 0 HG21 VAL A 130 12.767 -2.036 3.025 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.485 -3.638 2.303 1.00 1.36 H new ATOM 0 HG23 VAL A 130 11.465 -3.077 3.649 1.00 1.36 H new