USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 31 THR OG1 : rot 19:sc= -2.44! USER MOD Set 1.2: A 37 GLN : amide:sc= -5.38! C(o=-7.8!,f=-8!) USER MOD Single : A 1 LYS N :NH3+ -178:sc= 0 (180deg=-0.00537) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0861 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0632 F(o=-2.5!,f=-0.063) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0464 (180deg=-0.334) USER MOD Single : A 30 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.05! C(o=-1.1!,f=-4!) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.822 (180deg=0.712) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.591 F(o=-1.6,f=-0.59) USER MOD Single : A 46 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.17) USER MOD Single : A 48 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.19) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.113 F(o=-1.9!,f=-0.11) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.089 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -26.351 -12.865 -7.205 1.00 61.41 N ATOM 2 CA LYS A 1 -25.030 -12.290 -7.490 1.00 41.02 C ATOM 3 C LYS A 1 -24.160 -12.344 -6.259 1.00 24.12 C ATOM 4 O LYS A 1 -24.431 -11.649 -5.282 1.00 33.22 O ATOM 5 CB LYS A 1 -25.138 -10.819 -7.932 1.00 22.13 C ATOM 6 CG LYS A 1 -25.913 -10.568 -9.204 1.00 2.50 C ATOM 7 CD LYS A 1 -25.935 -9.081 -9.538 1.00 70.41 C ATOM 8 CE LYS A 1 -24.536 -8.526 -9.844 1.00 52.42 C ATOM 9 NZ LYS A 1 -24.565 -7.081 -10.171 1.00 73.33 N ATOM 0 H1 LYS A 1 -26.929 -12.853 -8.070 1.00 61.41 H new ATOM 0 H2 LYS A 1 -26.239 -13.846 -6.877 1.00 61.41 H new ATOM 0 H3 LYS A 1 -26.822 -12.304 -6.466 1.00 61.41 H new ATOM 0 HA LYS A 1 -24.592 -12.879 -8.296 1.00 41.02 H new ATOM 0 HB2 LYS A 1 -25.605 -10.251 -7.127 1.00 22.13 H new ATOM 0 HB3 LYS A 1 -24.130 -10.423 -8.059 1.00 22.13 H new ATOM 0 HG2 LYS A 1 -25.462 -11.124 -10.026 1.00 2.50 H new ATOM 0 HG3 LYS A 1 -26.933 -10.936 -9.093 1.00 2.50 H new ATOM 0 HD2 LYS A 1 -26.584 -8.915 -10.398 1.00 70.41 H new ATOM 0 HD3 LYS A 1 -26.366 -8.530 -8.702 1.00 70.41 H new ATOM 0 HE2 LYS A 1 -23.887 -8.689 -8.984 1.00 52.42 H new ATOM 0 HE3 LYS A 1 -24.103 -9.077 -10.679 1.00 52.42 H new ATOM 0 HZ1 LYS A 1 -23.599 -6.751 -10.370 1.00 73.33 H new ATOM 0 HZ2 LYS A 1 -25.163 -6.926 -11.008 1.00 73.33 H new ATOM 0 HZ3 LYS A 1 -24.953 -6.550 -9.365 1.00 73.33 H new ATOM 25 N PRO A 2 -23.120 -13.170 -6.260 1.00 32.24 N ATOM 26 CA PRO A 2 -22.205 -13.228 -5.152 1.00 63.42 C ATOM 27 C PRO A 2 -21.258 -12.033 -5.190 1.00 32.44 C ATOM 28 O PRO A 2 -20.450 -11.893 -6.121 1.00 40.22 O ATOM 29 CB PRO A 2 -21.451 -14.542 -5.366 1.00 34.35 C ATOM 30 CG PRO A 2 -21.518 -14.793 -6.838 1.00 43.32 C ATOM 31 CD PRO A 2 -22.758 -14.109 -7.343 1.00 20.11 C ATOM 0 HA PRO A 2 -22.700 -13.192 -4.182 1.00 63.42 H new ATOM 0 HB2 PRO A 2 -20.418 -14.464 -5.026 1.00 34.35 H new ATOM 0 HB3 PRO A 2 -21.911 -15.356 -4.806 1.00 34.35 H new ATOM 0 HG2 PRO A 2 -20.631 -14.402 -7.337 1.00 43.32 H new ATOM 0 HG3 PRO A 2 -21.555 -15.862 -7.046 1.00 43.32 H new ATOM 0 HD2 PRO A 2 -22.570 -13.584 -8.279 1.00 20.11 H new ATOM 0 HD3 PRO A 2 -23.558 -14.824 -7.534 1.00 20.11 H new ATOM 39 N VAL A 3 -21.383 -11.152 -4.220 1.00 64.23 N ATOM 40 CA VAL A 3 -20.524 -9.977 -4.157 1.00 4.55 C ATOM 41 C VAL A 3 -19.113 -10.387 -3.764 1.00 35.23 C ATOM 42 O VAL A 3 -18.127 -9.751 -4.155 1.00 20.54 O ATOM 43 CB VAL A 3 -21.086 -8.878 -3.195 1.00 73.12 C ATOM 44 CG1 VAL A 3 -21.176 -9.368 -1.752 1.00 61.22 C ATOM 45 CG2 VAL A 3 -20.270 -7.597 -3.284 1.00 2.35 C ATOM 0 H VAL A 3 -22.066 -11.222 -3.466 1.00 64.23 H new ATOM 0 HA VAL A 3 -20.499 -9.529 -5.151 1.00 4.55 H new ATOM 0 HB VAL A 3 -22.101 -8.658 -3.525 1.00 73.12 H new ATOM 0 HG11 VAL A 3 -21.571 -8.572 -1.121 1.00 61.22 H new ATOM 0 HG12 VAL A 3 -21.838 -10.233 -1.702 1.00 61.22 H new ATOM 0 HG13 VAL A 3 -20.183 -9.650 -1.401 1.00 61.22 H new ATOM 0 HG21 VAL A 3 -20.685 -6.853 -2.604 1.00 2.35 H new ATOM 0 HG22 VAL A 3 -19.236 -7.804 -3.008 1.00 2.35 H new ATOM 0 HG23 VAL A 3 -20.303 -7.215 -4.304 1.00 2.35 H new ATOM 55 N SER A 4 -19.056 -11.478 -3.036 1.00 41.24 N ATOM 56 CA SER A 4 -17.838 -12.069 -2.545 1.00 31.03 C ATOM 57 C SER A 4 -17.093 -11.116 -1.613 1.00 12.30 C ATOM 58 O SER A 4 -16.296 -10.278 -2.047 1.00 21.44 O ATOM 59 CB SER A 4 -16.931 -12.564 -3.703 1.00 15.41 C ATOM 60 OG SER A 4 -15.729 -13.165 -3.220 1.00 24.32 O ATOM 0 H SER A 4 -19.890 -11.996 -2.760 1.00 41.24 H new ATOM 0 HA SER A 4 -18.116 -12.946 -1.961 1.00 31.03 H new ATOM 0 HB2 SER A 4 -17.479 -13.285 -4.310 1.00 15.41 H new ATOM 0 HB3 SER A 4 -16.682 -11.725 -4.352 1.00 15.41 H new ATOM 0 HG SER A 4 -15.186 -13.465 -3.978 1.00 24.32 H new ATOM 66 N LEU A 5 -17.387 -11.204 -0.349 1.00 42.30 N ATOM 67 CA LEU A 5 -16.687 -10.430 0.621 1.00 53.21 C ATOM 68 C LEU A 5 -15.888 -11.412 1.436 1.00 40.11 C ATOM 69 O LEU A 5 -16.365 -11.966 2.432 1.00 10.33 O ATOM 70 CB LEU A 5 -17.653 -9.580 1.499 1.00 32.03 C ATOM 71 CG LEU A 5 -17.043 -8.436 2.382 1.00 22.40 C ATOM 72 CD1 LEU A 5 -16.056 -8.934 3.432 1.00 74.24 C ATOM 73 CD2 LEU A 5 -16.401 -7.367 1.510 1.00 72.42 C ATOM 0 H LEU A 5 -18.113 -11.810 0.032 1.00 42.30 H new ATOM 0 HA LEU A 5 -16.034 -9.699 0.144 1.00 53.21 H new ATOM 0 HB2 LEU A 5 -18.394 -9.131 0.838 1.00 32.03 H new ATOM 0 HB3 LEU A 5 -18.187 -10.262 2.161 1.00 32.03 H new ATOM 0 HG LEU A 5 -17.878 -8.002 2.931 1.00 22.40 H new ATOM 0 HD11 LEU A 5 -15.676 -8.088 4.004 1.00 74.24 H new ATOM 0 HD12 LEU A 5 -16.559 -9.629 4.104 1.00 74.24 H new ATOM 0 HD13 LEU A 5 -15.226 -9.442 2.940 1.00 74.24 H new ATOM 0 HD21 LEU A 5 -15.984 -6.583 2.143 1.00 72.42 H new ATOM 0 HD22 LEU A 5 -15.605 -7.813 0.914 1.00 72.42 H new ATOM 0 HD23 LEU A 5 -17.153 -6.937 0.848 1.00 72.42 H new ATOM 85 N SER A 6 -14.739 -11.721 0.937 1.00 23.13 N ATOM 86 CA SER A 6 -13.839 -12.633 1.566 1.00 61.22 C ATOM 87 C SER A 6 -12.434 -12.233 1.192 1.00 25.32 C ATOM 88 O SER A 6 -12.089 -12.206 0.007 1.00 40.15 O ATOM 89 CB SER A 6 -14.129 -14.064 1.084 1.00 70.22 C ATOM 90 OG SER A 6 -15.493 -14.414 1.325 1.00 65.01 O ATOM 0 H SER A 6 -14.389 -11.338 0.059 1.00 23.13 H new ATOM 0 HA SER A 6 -13.961 -12.604 2.649 1.00 61.22 H new ATOM 0 HB2 SER A 6 -13.911 -14.145 0.019 1.00 70.22 H new ATOM 0 HB3 SER A 6 -13.472 -14.766 1.598 1.00 70.22 H new ATOM 0 HG SER A 6 -15.657 -15.327 1.010 1.00 65.01 H new ATOM 96 N TYR A 7 -11.650 -11.878 2.161 1.00 22.54 N ATOM 97 CA TYR A 7 -10.292 -11.501 1.910 1.00 53.04 C ATOM 98 C TYR A 7 -9.373 -12.079 2.945 1.00 53.45 C ATOM 99 O TYR A 7 -9.643 -12.021 4.147 1.00 12.35 O ATOM 100 CB TYR A 7 -10.129 -9.967 1.770 1.00 33.51 C ATOM 101 CG TYR A 7 -10.588 -9.158 2.964 1.00 71.41 C ATOM 102 CD1 TYR A 7 -11.902 -8.727 3.067 1.00 54.13 C ATOM 103 CD2 TYR A 7 -9.707 -8.825 3.983 1.00 24.45 C ATOM 104 CE1 TYR A 7 -12.323 -7.992 4.150 1.00 53.54 C ATOM 105 CE2 TYR A 7 -10.120 -8.091 5.066 1.00 4.15 C ATOM 106 CZ TYR A 7 -11.429 -7.677 5.145 1.00 21.03 C ATOM 107 OH TYR A 7 -11.850 -6.951 6.233 1.00 72.44 O ATOM 0 H TYR A 7 -11.929 -11.841 3.141 1.00 22.54 H new ATOM 0 HA TYR A 7 -10.006 -11.925 0.948 1.00 53.04 H new ATOM 0 HB2 TYR A 7 -9.078 -9.745 1.583 1.00 33.51 H new ATOM 0 HB3 TYR A 7 -10.685 -9.637 0.893 1.00 33.51 H new ATOM 0 HD1 TYR A 7 -12.605 -8.972 2.285 1.00 54.13 H new ATOM 0 HD2 TYR A 7 -8.679 -9.149 3.923 1.00 24.45 H new ATOM 0 HE1 TYR A 7 -13.350 -7.664 4.218 1.00 53.54 H new ATOM 0 HE2 TYR A 7 -9.422 -7.840 5.851 1.00 4.15 H new ATOM 0 HH TYR A 7 -11.098 -6.814 6.846 1.00 72.44 H new ATOM 117 N ARG A 8 -8.311 -12.663 2.479 1.00 31.22 N ATOM 118 CA ARG A 8 -7.335 -13.258 3.362 1.00 15.24 C ATOM 119 C ARG A 8 -6.098 -12.390 3.390 1.00 53.43 C ATOM 120 O ARG A 8 -5.148 -12.629 4.144 1.00 52.14 O ATOM 121 CB ARG A 8 -6.982 -14.718 2.970 1.00 51.42 C ATOM 122 CG ARG A 8 -6.154 -14.917 1.684 1.00 42.31 C ATOM 123 CD ARG A 8 -6.882 -14.518 0.413 1.00 53.32 C ATOM 124 NE ARG A 8 -6.018 -14.663 -0.758 1.00 14.43 N ATOM 125 CZ ARG A 8 -6.259 -14.142 -1.969 1.00 40.13 C ATOM 126 NH1 ARG A 8 -7.382 -13.470 -2.207 1.00 24.21 N ATOM 127 NH2 ARG A 8 -5.376 -14.312 -2.944 1.00 75.12 N ATOM 0 H ARG A 8 -8.091 -12.744 1.486 1.00 31.22 H new ATOM 0 HA ARG A 8 -7.772 -13.312 4.359 1.00 15.24 H new ATOM 0 HB2 ARG A 8 -6.435 -15.168 3.798 1.00 51.42 H new ATOM 0 HB3 ARG A 8 -7.913 -15.275 2.863 1.00 51.42 H new ATOM 0 HG2 ARG A 8 -5.235 -14.336 1.762 1.00 42.31 H new ATOM 0 HG3 ARG A 8 -5.863 -15.965 1.610 1.00 42.31 H new ATOM 0 HD2 ARG A 8 -7.772 -15.136 0.291 1.00 53.32 H new ATOM 0 HD3 ARG A 8 -7.220 -13.485 0.493 1.00 53.32 H new ATOM 0 HE ARG A 8 -5.162 -15.205 -0.644 1.00 14.43 H new ATOM 0 HH11 ARG A 8 -8.070 -13.347 -1.464 1.00 24.21 H new ATOM 0 HH12 ARG A 8 -7.555 -13.078 -3.132 1.00 24.21 H new ATOM 0 HH21 ARG A 8 -4.519 -14.837 -2.770 1.00 75.12 H new ATOM 0 HH22 ARG A 8 -5.554 -13.918 -3.868 1.00 75.12 H new ATOM 141 N CYS A 9 -6.124 -11.386 2.573 1.00 71.22 N ATOM 142 CA CYS A 9 -5.059 -10.442 2.473 1.00 35.32 C ATOM 143 C CYS A 9 -5.573 -9.082 2.895 1.00 61.14 C ATOM 144 O CYS A 9 -6.702 -8.726 2.571 1.00 74.01 O ATOM 145 CB CYS A 9 -4.515 -10.424 1.038 1.00 52.14 C ATOM 146 SG CYS A 9 -3.755 -12.014 0.544 1.00 30.31 S ATOM 0 H CYS A 9 -6.904 -11.196 1.943 1.00 71.22 H new ATOM 0 HA CYS A 9 -4.237 -10.721 3.132 1.00 35.32 H new ATOM 0 HB2 CYS A 9 -5.326 -10.186 0.350 1.00 52.14 H new ATOM 0 HB3 CYS A 9 -3.775 -9.629 0.945 1.00 52.14 H new ATOM 151 N PRO A 10 -4.752 -8.313 3.644 1.00 64.34 N ATOM 152 CA PRO A 10 -5.131 -6.984 4.173 1.00 21.54 C ATOM 153 C PRO A 10 -5.630 -6.025 3.092 1.00 51.33 C ATOM 154 O PRO A 10 -6.531 -5.206 3.322 1.00 61.25 O ATOM 155 CB PRO A 10 -3.820 -6.455 4.785 1.00 43.41 C ATOM 156 CG PRO A 10 -2.747 -7.358 4.265 1.00 13.43 C ATOM 157 CD PRO A 10 -3.393 -8.685 4.065 1.00 23.53 C ATOM 0 HA PRO A 10 -5.958 -7.061 4.879 1.00 21.54 H new ATOM 0 HB2 PRO A 10 -3.639 -5.421 4.493 1.00 43.41 H new ATOM 0 HB3 PRO A 10 -3.858 -6.476 5.874 1.00 43.41 H new ATOM 0 HG2 PRO A 10 -2.336 -6.978 3.329 1.00 13.43 H new ATOM 0 HG3 PRO A 10 -1.920 -7.429 4.971 1.00 13.43 H new ATOM 0 HD2 PRO A 10 -2.880 -9.277 3.307 1.00 23.53 H new ATOM 0 HD3 PRO A 10 -3.399 -9.276 4.981 1.00 23.53 H new ATOM 165 N CYS A 11 -5.063 -6.137 1.928 1.00 13.24 N ATOM 166 CA CYS A 11 -5.425 -5.298 0.843 1.00 72.12 C ATOM 167 C CYS A 11 -5.835 -6.118 -0.331 1.00 31.05 C ATOM 168 O CYS A 11 -5.000 -6.706 -1.020 1.00 34.14 O ATOM 169 CB CYS A 11 -4.292 -4.359 0.469 1.00 35.33 C ATOM 170 SG CYS A 11 -3.817 -3.213 1.791 1.00 71.13 S ATOM 0 H CYS A 11 -4.335 -6.817 1.711 1.00 13.24 H new ATOM 0 HA CYS A 11 -6.272 -4.688 1.157 1.00 72.12 H new ATOM 0 HB2 CYS A 11 -3.422 -4.951 0.185 1.00 35.33 H new ATOM 0 HB3 CYS A 11 -4.586 -3.783 -0.409 1.00 35.33 H new ATOM 175 N ARG A 12 -7.115 -6.220 -0.509 1.00 73.34 N ATOM 176 CA ARG A 12 -7.680 -6.895 -1.636 1.00 74.22 C ATOM 177 C ARG A 12 -7.788 -5.894 -2.770 1.00 43.43 C ATOM 178 O ARG A 12 -7.549 -6.212 -3.937 1.00 42.54 O ATOM 179 CB ARG A 12 -9.063 -7.411 -1.269 1.00 50.41 C ATOM 180 CG ARG A 12 -9.764 -8.166 -2.373 1.00 43.42 C ATOM 181 CD ARG A 12 -11.153 -8.558 -1.939 1.00 15.23 C ATOM 182 NE ARG A 12 -11.853 -9.306 -2.968 1.00 62.12 N ATOM 183 CZ ARG A 12 -13.158 -9.554 -2.971 1.00 62.11 C ATOM 184 NH1 ARG A 12 -13.954 -8.993 -2.059 1.00 44.13 N ATOM 185 NH2 ARG A 12 -13.672 -10.336 -3.904 1.00 33.13 N ATOM 0 H ARG A 12 -7.806 -5.832 0.133 1.00 73.34 H new ATOM 0 HA ARG A 12 -7.058 -7.738 -1.935 1.00 74.22 H new ATOM 0 HB2 ARG A 12 -8.975 -8.063 -0.400 1.00 50.41 H new ATOM 0 HB3 ARG A 12 -9.685 -6.566 -0.972 1.00 50.41 H new ATOM 0 HG2 ARG A 12 -9.817 -7.548 -3.269 1.00 43.42 H new ATOM 0 HG3 ARG A 12 -9.192 -9.057 -2.634 1.00 43.42 H new ATOM 0 HD2 ARG A 12 -11.093 -9.159 -1.031 1.00 15.23 H new ATOM 0 HD3 ARG A 12 -11.722 -7.662 -1.692 1.00 15.23 H new ATOM 0 HE ARG A 12 -11.302 -9.668 -3.746 1.00 62.12 H new ATOM 0 HH11 ARG A 12 -13.561 -8.369 -1.354 1.00 44.13 H new ATOM 0 HH12 ARG A 12 -14.955 -9.188 -2.067 1.00 44.13 H new ATOM 0 HH21 ARG A 12 -13.067 -10.745 -4.616 1.00 33.13 H new ATOM 0 HH22 ARG A 12 -14.673 -10.530 -3.912 1.00 33.13 H new ATOM 199 N PHE A 13 -8.118 -4.672 -2.398 1.00 13.21 N ATOM 200 CA PHE A 13 -8.279 -3.596 -3.341 1.00 1.22 C ATOM 201 C PHE A 13 -7.100 -2.653 -3.217 1.00 54.12 C ATOM 202 O PHE A 13 -6.582 -2.447 -2.116 1.00 63.33 O ATOM 203 CB PHE A 13 -9.593 -2.841 -3.084 1.00 5.32 C ATOM 204 CG PHE A 13 -10.821 -3.717 -3.128 1.00 41.22 C ATOM 205 CD1 PHE A 13 -11.339 -4.143 -4.335 1.00 14.43 C ATOM 206 CD2 PHE A 13 -11.445 -4.117 -1.957 1.00 50.52 C ATOM 207 CE1 PHE A 13 -12.461 -4.950 -4.379 1.00 63.21 C ATOM 208 CE2 PHE A 13 -12.568 -4.924 -1.996 1.00 74.34 C ATOM 209 CZ PHE A 13 -13.075 -5.341 -3.208 1.00 63.11 C ATOM 0 H PHE A 13 -8.281 -4.403 -1.428 1.00 13.21 H new ATOM 0 HA PHE A 13 -8.318 -4.005 -4.351 1.00 1.22 H new ATOM 0 HB2 PHE A 13 -9.538 -2.358 -2.108 1.00 5.32 H new ATOM 0 HB3 PHE A 13 -9.697 -2.049 -3.826 1.00 5.32 H new ATOM 0 HD1 PHE A 13 -10.862 -3.842 -5.256 1.00 14.43 H new ATOM 0 HD2 PHE A 13 -11.051 -3.795 -1.004 1.00 50.52 H new ATOM 0 HE1 PHE A 13 -12.856 -5.274 -5.330 1.00 63.21 H new ATOM 0 HE2 PHE A 13 -13.047 -5.227 -1.077 1.00 74.34 H new ATOM 0 HZ PHE A 13 -13.951 -5.972 -3.240 1.00 63.11 H new ATOM 219 N PHE A 14 -6.668 -2.110 -4.324 1.00 63.22 N ATOM 220 CA PHE A 14 -5.542 -1.210 -4.362 1.00 24.24 C ATOM 221 C PHE A 14 -5.874 0.058 -5.137 1.00 63.44 C ATOM 222 O PHE A 14 -6.650 0.022 -6.099 1.00 75.40 O ATOM 223 CB PHE A 14 -4.352 -1.894 -5.025 1.00 74.13 C ATOM 224 CG PHE A 14 -3.809 -3.051 -4.258 1.00 1.11 C ATOM 225 CD1 PHE A 14 -2.987 -2.827 -3.191 1.00 23.05 C ATOM 226 CD2 PHE A 14 -4.106 -4.357 -4.608 1.00 3.54 C ATOM 227 CE1 PHE A 14 -2.458 -3.856 -2.479 1.00 64.30 C ATOM 228 CE2 PHE A 14 -3.578 -5.408 -3.887 1.00 53.23 C ATOM 229 CZ PHE A 14 -2.751 -5.153 -2.819 1.00 14.45 C ATOM 0 H PHE A 14 -7.092 -2.281 -5.236 1.00 63.22 H new ATOM 0 HA PHE A 14 -5.298 -0.941 -3.334 1.00 24.24 H new ATOM 0 HB2 PHE A 14 -4.650 -2.237 -6.016 1.00 74.13 H new ATOM 0 HB3 PHE A 14 -3.558 -1.161 -5.166 1.00 74.13 H new ATOM 0 HD1 PHE A 14 -2.753 -1.812 -2.907 1.00 23.05 H new ATOM 0 HD2 PHE A 14 -4.754 -4.554 -5.449 1.00 3.54 H new ATOM 0 HE1 PHE A 14 -1.805 -3.653 -1.643 1.00 64.30 H new ATOM 0 HE2 PHE A 14 -3.813 -6.426 -4.160 1.00 53.23 H new ATOM 0 HZ PHE A 14 -2.333 -5.970 -2.250 1.00 14.45 H new ATOM 239 N GLU A 15 -5.299 1.158 -4.718 1.00 44.25 N ATOM 240 CA GLU A 15 -5.428 2.421 -5.390 1.00 53.55 C ATOM 241 C GLU A 15 -4.044 2.818 -5.921 1.00 74.51 C ATOM 242 O GLU A 15 -3.047 2.665 -5.227 1.00 71.24 O ATOM 243 CB GLU A 15 -5.984 3.498 -4.425 1.00 50.14 C ATOM 244 CG GLU A 15 -6.241 4.844 -5.096 1.00 44.13 C ATOM 245 CD GLU A 15 -6.917 5.857 -4.192 1.00 41.11 C ATOM 246 OE1 GLU A 15 -8.166 5.901 -4.170 1.00 12.02 O ATOM 247 OE2 GLU A 15 -6.221 6.645 -3.529 1.00 3.21 O ATOM 0 H GLU A 15 -4.716 1.198 -3.882 1.00 44.25 H new ATOM 0 HA GLU A 15 -6.132 2.338 -6.218 1.00 53.55 H new ATOM 0 HB2 GLU A 15 -6.914 3.136 -3.987 1.00 50.14 H new ATOM 0 HB3 GLU A 15 -5.279 3.638 -3.605 1.00 50.14 H new ATOM 0 HG2 GLU A 15 -5.292 5.255 -5.441 1.00 44.13 H new ATOM 0 HG3 GLU A 15 -6.861 4.687 -5.979 1.00 44.13 H new ATOM 254 N SER A 16 -3.981 3.279 -7.145 1.00 22.31 N ATOM 255 CA SER A 16 -2.710 3.650 -7.756 1.00 73.20 C ATOM 256 C SER A 16 -2.558 5.161 -7.911 1.00 12.11 C ATOM 257 O SER A 16 -1.536 5.645 -8.378 1.00 63.02 O ATOM 258 CB SER A 16 -2.581 2.982 -9.122 1.00 44.12 C ATOM 259 OG SER A 16 -2.565 1.574 -9.001 1.00 62.43 O ATOM 0 H SER A 16 -4.793 3.410 -7.748 1.00 22.31 H new ATOM 0 HA SER A 16 -1.918 3.307 -7.090 1.00 73.20 H new ATOM 0 HB2 SER A 16 -3.412 3.286 -9.759 1.00 44.12 H new ATOM 0 HB3 SER A 16 -1.666 3.318 -9.610 1.00 44.12 H new ATOM 0 HG SER A 16 -2.483 1.170 -9.890 1.00 62.43 H new ATOM 265 N HIS A 17 -3.555 5.902 -7.490 1.00 64.43 N ATOM 266 CA HIS A 17 -3.549 7.355 -7.698 1.00 4.10 C ATOM 267 C HIS A 17 -2.844 8.097 -6.561 1.00 1.23 C ATOM 268 O HIS A 17 -2.840 9.334 -6.526 1.00 74.32 O ATOM 269 CB HIS A 17 -4.976 7.897 -7.831 1.00 45.23 C ATOM 270 CG HIS A 17 -5.788 7.316 -8.946 1.00 33.20 C ATOM 271 ND1 HIS A 17 -7.149 7.143 -8.861 1.00 71.30 N ATOM 272 CD2 HIS A 17 -5.442 6.911 -10.187 1.00 3.11 C ATOM 273 CE1 HIS A 17 -7.603 6.658 -9.991 1.00 13.34 C ATOM 274 NE2 HIS A 17 -6.591 6.508 -10.819 1.00 61.43 N ATOM 0 H HIS A 17 -4.377 5.542 -7.006 1.00 64.43 H new ATOM 0 HA HIS A 17 -2.999 7.530 -8.623 1.00 4.10 H new ATOM 0 HB2 HIS A 17 -5.501 7.720 -6.893 1.00 45.23 H new ATOM 0 HB3 HIS A 17 -4.924 8.977 -7.968 1.00 45.23 H new ATOM 0 HD2 HIS A 17 -4.446 6.905 -10.604 1.00 3.11 H new ATOM 0 HE1 HIS A 17 -8.634 6.421 -10.206 1.00 13.34 H new ATOM 0 HE2 HIS A 17 -6.651 6.151 -11.773 1.00 61.43 H new ATOM 283 N VAL A 18 -2.238 7.358 -5.656 1.00 53.24 N ATOM 284 CA VAL A 18 -1.630 7.950 -4.490 1.00 70.41 C ATOM 285 C VAL A 18 -0.210 8.471 -4.801 1.00 73.43 C ATOM 286 O VAL A 18 0.560 7.814 -5.517 1.00 43.21 O ATOM 287 CB VAL A 18 -1.582 6.922 -3.342 1.00 23.21 C ATOM 288 CG1 VAL A 18 -1.132 7.557 -2.049 1.00 53.11 C ATOM 289 CG2 VAL A 18 -2.929 6.239 -3.176 1.00 63.14 C ATOM 0 H VAL A 18 -2.155 6.343 -5.709 1.00 53.24 H new ATOM 0 HA VAL A 18 -2.239 8.801 -4.185 1.00 70.41 H new ATOM 0 HB VAL A 18 -0.845 6.163 -3.605 1.00 23.21 H new ATOM 0 HG11 VAL A 18 -1.110 6.803 -1.262 1.00 53.11 H new ATOM 0 HG12 VAL A 18 -0.134 7.977 -2.178 1.00 53.11 H new ATOM 0 HG13 VAL A 18 -1.826 8.350 -1.772 1.00 53.11 H new ATOM 0 HG21 VAL A 18 -2.873 5.518 -2.361 1.00 63.14 H new ATOM 0 HG22 VAL A 18 -3.690 6.986 -2.948 1.00 63.14 H new ATOM 0 HG23 VAL A 18 -3.192 5.723 -4.100 1.00 63.14 H new ATOM 299 N ALA A 19 0.110 9.648 -4.270 1.00 63.13 N ATOM 300 CA ALA A 19 1.409 10.285 -4.470 1.00 1.24 C ATOM 301 C ALA A 19 2.210 10.244 -3.175 1.00 32.30 C ATOM 302 O ALA A 19 1.659 10.497 -2.111 1.00 5.14 O ATOM 303 CB ALA A 19 1.214 11.728 -4.896 1.00 22.52 C ATOM 0 H ALA A 19 -0.527 10.189 -3.686 1.00 63.13 H new ATOM 0 HA ALA A 19 1.951 9.747 -5.248 1.00 1.24 H new ATOM 0 HB1 ALA A 19 2.186 12.198 -5.044 1.00 22.52 H new ATOM 0 HB2 ALA A 19 0.650 11.759 -5.828 1.00 22.52 H new ATOM 0 HB3 ALA A 19 0.665 12.265 -4.122 1.00 22.52 H new ATOM 309 N ARG A 20 3.513 9.973 -3.273 1.00 73.41 N ATOM 310 CA ARG A 20 4.387 9.834 -2.090 1.00 41.22 C ATOM 311 C ARG A 20 4.433 11.107 -1.268 1.00 33.51 C ATOM 312 O ARG A 20 4.491 11.060 -0.043 1.00 34.42 O ATOM 313 CB ARG A 20 5.804 9.420 -2.497 1.00 10.12 C ATOM 314 CG ARG A 20 6.738 9.146 -1.316 1.00 61.14 C ATOM 315 CD ARG A 20 8.071 8.574 -1.772 1.00 23.44 C ATOM 316 NE ARG A 20 8.845 9.492 -2.602 1.00 52.14 N ATOM 317 CZ ARG A 20 9.738 9.119 -3.536 1.00 13.01 C ATOM 318 NH1 ARG A 20 9.834 7.835 -3.912 1.00 11.10 N ATOM 319 NH2 ARG A 20 10.501 10.030 -4.119 1.00 11.03 N ATOM 0 H ARG A 20 3.995 9.843 -4.162 1.00 73.41 H new ATOM 0 HA ARG A 20 3.956 9.049 -1.469 1.00 41.22 H new ATOM 0 HB2 ARG A 20 5.746 8.525 -3.116 1.00 10.12 H new ATOM 0 HB3 ARG A 20 6.238 10.207 -3.115 1.00 10.12 H new ATOM 0 HG2 ARG A 20 6.909 10.071 -0.765 1.00 61.14 H new ATOM 0 HG3 ARG A 20 6.259 8.449 -0.628 1.00 61.14 H new ATOM 0 HD2 ARG A 20 8.660 8.304 -0.896 1.00 23.44 H new ATOM 0 HD3 ARG A 20 7.891 7.655 -2.330 1.00 23.44 H new ATOM 0 HE ARG A 20 8.698 10.492 -2.463 1.00 52.14 H new ATOM 0 HH11 ARG A 20 9.227 7.133 -3.489 1.00 11.10 H new ATOM 0 HH12 ARG A 20 10.514 7.561 -4.621 1.00 11.10 H new ATOM 0 HH21 ARG A 20 10.411 11.012 -3.860 1.00 11.03 H new ATOM 0 HH22 ARG A 20 11.179 9.750 -4.828 1.00 11.03 H new ATOM 333 N ALA A 21 4.373 12.231 -1.941 1.00 73.52 N ATOM 334 CA ALA A 21 4.415 13.532 -1.292 1.00 63.13 C ATOM 335 C ALA A 21 3.150 13.788 -0.475 1.00 32.21 C ATOM 336 O ALA A 21 3.121 14.669 0.377 1.00 4.00 O ATOM 337 CB ALA A 21 4.610 14.630 -2.329 1.00 51.22 C ATOM 0 H ALA A 21 4.293 12.276 -2.957 1.00 73.52 H new ATOM 0 HA ALA A 21 5.261 13.539 -0.605 1.00 63.13 H new ATOM 0 HB1 ALA A 21 4.640 15.599 -1.831 1.00 51.22 H new ATOM 0 HB2 ALA A 21 5.547 14.466 -2.861 1.00 51.22 H new ATOM 0 HB3 ALA A 21 3.783 14.612 -3.038 1.00 51.22 H new ATOM 343 N ASN A 22 2.120 13.009 -0.732 1.00 22.45 N ATOM 344 CA ASN A 22 0.851 13.158 -0.034 1.00 13.14 C ATOM 345 C ASN A 22 0.710 12.047 1.024 1.00 50.03 C ATOM 346 O ASN A 22 -0.178 12.075 1.880 1.00 31.41 O ATOM 347 CB ASN A 22 -0.303 13.122 -1.067 1.00 1.11 C ATOM 348 CG ASN A 22 -1.659 13.471 -0.490 1.00 24.24 C ATOM 349 OD1 ASN A 22 -2.423 12.499 -0.122 1.00 51.41 O flip ATOM 350 ND2 ASN A 22 -2.024 14.641 -0.429 1.00 42.00 N flip ATOM 0 H ASN A 22 2.133 12.260 -1.424 1.00 22.45 H new ATOM 0 HA ASN A 22 0.811 14.115 0.486 1.00 13.14 H new ATOM 0 HB2 ASN A 22 -0.074 13.816 -1.876 1.00 1.11 H new ATOM 0 HB3 ASN A 22 -0.352 12.126 -1.506 1.00 1.11 H new ATOM 0 HD21 ASN A 22 -1.396 15.387 -0.728 1.00 42.00 H new ATOM 0 HD22 ASN A 22 -2.955 14.867 -0.080 1.00 42.00 H new ATOM 357 N VAL A 23 1.617 11.084 0.964 1.00 22.44 N ATOM 358 CA VAL A 23 1.641 9.962 1.908 1.00 75.33 C ATOM 359 C VAL A 23 2.524 10.308 3.104 1.00 25.34 C ATOM 360 O VAL A 23 3.628 10.831 2.936 1.00 40.45 O ATOM 361 CB VAL A 23 2.215 8.670 1.251 1.00 25.21 C ATOM 362 CG1 VAL A 23 2.200 7.503 2.221 1.00 52.33 C ATOM 363 CG2 VAL A 23 1.459 8.311 0.000 1.00 4.04 C ATOM 0 H VAL A 23 2.358 11.052 0.264 1.00 22.44 H new ATOM 0 HA VAL A 23 0.612 9.782 2.219 1.00 75.33 H new ATOM 0 HB VAL A 23 3.250 8.880 0.981 1.00 25.21 H new ATOM 0 HG11 VAL A 23 2.607 6.618 1.732 1.00 52.33 H new ATOM 0 HG12 VAL A 23 2.807 7.747 3.093 1.00 52.33 H new ATOM 0 HG13 VAL A 23 1.176 7.305 2.536 1.00 52.33 H new ATOM 0 HG21 VAL A 23 1.883 7.406 -0.434 1.00 4.04 H new ATOM 0 HG22 VAL A 23 0.411 8.139 0.245 1.00 4.04 H new ATOM 0 HG23 VAL A 23 1.535 9.128 -0.718 1.00 4.04 H new ATOM 373 N LYS A 24 2.048 10.027 4.299 1.00 32.45 N ATOM 374 CA LYS A 24 2.811 10.243 5.473 1.00 45.34 C ATOM 375 C LYS A 24 3.747 9.069 5.706 1.00 65.13 C ATOM 376 O LYS A 24 4.971 9.203 5.643 1.00 44.20 O ATOM 377 CB LYS A 24 1.887 10.394 6.643 1.00 52.51 C ATOM 378 CG LYS A 24 2.594 10.660 7.896 1.00 4.41 C ATOM 379 CD LYS A 24 1.626 10.879 8.975 1.00 0.33 C ATOM 380 CE LYS A 24 1.040 12.276 8.947 1.00 20.03 C ATOM 381 NZ LYS A 24 0.114 12.506 10.065 1.00 60.02 N ATOM 0 H LYS A 24 1.118 9.643 4.466 1.00 32.45 H new ATOM 0 HA LYS A 24 3.404 11.150 5.357 1.00 45.34 H new ATOM 0 HB2 LYS A 24 1.189 11.208 6.446 1.00 52.51 H new ATOM 0 HB3 LYS A 24 1.295 9.485 6.752 1.00 52.51 H new ATOM 0 HG2 LYS A 24 3.244 9.821 8.143 1.00 4.41 H new ATOM 0 HG3 LYS A 24 3.233 11.536 7.785 1.00 4.41 H new ATOM 0 HD2 LYS A 24 0.822 10.148 8.892 1.00 0.33 H new ATOM 0 HD3 LYS A 24 2.112 10.710 9.936 1.00 0.33 H new ATOM 0 HE2 LYS A 24 1.846 13.008 8.987 1.00 20.03 H new ATOM 0 HE3 LYS A 24 0.516 12.431 8.004 1.00 20.03 H new ATOM 0 HZ1 LYS A 24 -0.265 13.473 10.009 1.00 60.02 H new ATOM 0 HZ2 LYS A 24 -0.669 11.824 10.013 1.00 60.02 H new ATOM 0 HZ3 LYS A 24 0.620 12.384 10.965 1.00 60.02 H new ATOM 395 N ARG A 25 3.163 7.928 5.939 1.00 62.21 N ATOM 396 CA ARG A 25 3.894 6.725 6.208 1.00 73.12 C ATOM 397 C ARG A 25 3.222 5.604 5.467 1.00 0.31 C ATOM 398 O ARG A 25 1.981 5.591 5.349 1.00 41.34 O ATOM 399 CB ARG A 25 3.915 6.444 7.723 1.00 24.30 C ATOM 400 CG ARG A 25 4.687 5.191 8.122 1.00 3.42 C ATOM 401 CD ARG A 25 4.706 4.995 9.626 1.00 42.40 C ATOM 402 NE ARG A 25 5.365 6.110 10.322 1.00 31.24 N ATOM 403 CZ ARG A 25 5.783 6.089 11.593 1.00 14.52 C ATOM 404 NH1 ARG A 25 5.632 4.999 12.332 1.00 52.12 N ATOM 405 NH2 ARG A 25 6.359 7.165 12.113 1.00 50.12 N ATOM 0 H ARG A 25 2.150 7.807 5.947 1.00 62.21 H new ATOM 0 HA ARG A 25 4.928 6.823 5.877 1.00 73.12 H new ATOM 0 HB2 ARG A 25 4.352 7.303 8.233 1.00 24.30 H new ATOM 0 HB3 ARG A 25 2.888 6.351 8.077 1.00 24.30 H new ATOM 0 HG2 ARG A 25 4.235 4.320 7.648 1.00 3.42 H new ATOM 0 HG3 ARG A 25 5.710 5.261 7.752 1.00 3.42 H new ATOM 0 HD2 ARG A 25 3.684 4.894 9.991 1.00 42.40 H new ATOM 0 HD3 ARG A 25 5.222 4.065 9.863 1.00 42.40 H new ATOM 0 HE ARG A 25 5.516 6.969 9.793 1.00 31.24 H new ATOM 0 HH11 ARG A 25 5.195 4.169 11.933 1.00 52.12 H new ATOM 0 HH12 ARG A 25 5.953 4.991 13.300 1.00 52.12 H new ATOM 0 HH21 ARG A 25 6.481 8.003 11.545 1.00 50.12 H new ATOM 0 HH22 ARG A 25 6.679 7.154 13.081 1.00 50.12 H new ATOM 419 N LEU A 26 3.999 4.688 4.958 1.00 35.53 N ATOM 420 CA LEU A 26 3.471 3.595 4.206 1.00 3.13 C ATOM 421 C LEU A 26 4.332 2.375 4.402 1.00 52.04 C ATOM 422 O LEU A 26 5.491 2.489 4.823 1.00 34.45 O ATOM 423 CB LEU A 26 3.313 3.924 2.715 1.00 53.44 C ATOM 424 CG LEU A 26 4.544 4.063 1.840 1.00 41.42 C ATOM 425 CD1 LEU A 26 4.079 4.218 0.451 1.00 74.24 C ATOM 426 CD2 LEU A 26 5.412 5.245 2.197 1.00 41.14 C ATOM 0 H LEU A 26 5.014 4.682 5.055 1.00 35.53 H new ATOM 0 HA LEU A 26 2.468 3.392 4.582 1.00 3.13 H new ATOM 0 HB2 LEU A 26 2.687 3.148 2.275 1.00 53.44 H new ATOM 0 HB3 LEU A 26 2.757 4.859 2.645 1.00 53.44 H new ATOM 0 HG LEU A 26 5.159 3.175 1.984 1.00 41.42 H new ATOM 0 HD11 LEU A 26 4.939 4.321 -0.211 1.00 74.24 H new ATOM 0 HD12 LEU A 26 3.501 3.341 0.161 1.00 74.24 H new ATOM 0 HD13 LEU A 26 3.453 5.107 0.374 1.00 74.24 H new ATOM 0 HD21 LEU A 26 6.273 5.279 1.529 1.00 41.14 H new ATOM 0 HD22 LEU A 26 4.835 6.164 2.094 1.00 41.14 H new ATOM 0 HD23 LEU A 26 5.756 5.146 3.227 1.00 41.14 H new ATOM 438 N LYS A 27 3.790 1.220 4.108 1.00 54.20 N ATOM 439 CA LYS A 27 4.481 -0.020 4.361 1.00 30.24 C ATOM 440 C LYS A 27 4.105 -1.077 3.329 1.00 33.25 C ATOM 441 O LYS A 27 2.979 -1.086 2.840 1.00 45.30 O ATOM 442 CB LYS A 27 4.091 -0.495 5.756 1.00 4.54 C ATOM 443 CG LYS A 27 4.757 -1.750 6.225 1.00 12.14 C ATOM 444 CD LYS A 27 4.404 -1.998 7.666 1.00 71.22 C ATOM 445 CE LYS A 27 5.008 -0.950 8.596 1.00 24.40 C ATOM 446 NZ LYS A 27 6.488 -0.914 8.510 1.00 44.22 N ATOM 0 H LYS A 27 2.866 1.112 3.690 1.00 54.20 H new ATOM 0 HA LYS A 27 5.557 0.139 4.292 1.00 30.24 H new ATOM 0 HB2 LYS A 27 4.315 0.301 6.466 1.00 4.54 H new ATOM 0 HB3 LYS A 27 3.012 -0.648 5.779 1.00 4.54 H new ATOM 0 HG2 LYS A 27 4.440 -2.593 5.612 1.00 12.14 H new ATOM 0 HG3 LYS A 27 5.838 -1.664 6.114 1.00 12.14 H new ATOM 0 HD2 LYS A 27 3.320 -1.999 7.778 1.00 71.22 H new ATOM 0 HD3 LYS A 27 4.755 -2.987 7.959 1.00 71.22 H new ATOM 0 HE2 LYS A 27 4.607 0.032 8.344 1.00 24.40 H new ATOM 0 HE3 LYS A 27 4.710 -1.162 9.623 1.00 24.40 H new ATOM 0 HZ1 LYS A 27 6.871 -0.400 9.329 1.00 44.22 H new ATOM 0 HZ2 LYS A 27 6.859 -1.885 8.506 1.00 44.22 H new ATOM 0 HZ3 LYS A 27 6.773 -0.431 7.634 1.00 44.22 H new ATOM 460 N ILE A 28 5.057 -1.945 2.994 1.00 70.30 N ATOM 461 CA ILE A 28 4.817 -3.062 2.089 1.00 63.11 C ATOM 462 C ILE A 28 4.821 -4.372 2.885 1.00 12.44 C ATOM 463 O ILE A 28 5.777 -4.660 3.617 1.00 34.35 O ATOM 464 CB ILE A 28 5.906 -3.169 0.966 1.00 24.13 C ATOM 465 CG1 ILE A 28 5.939 -1.918 0.086 1.00 11.04 C ATOM 466 CG2 ILE A 28 5.704 -4.409 0.109 1.00 62.25 C ATOM 467 CD1 ILE A 28 6.895 -2.028 -1.092 1.00 44.35 C ATOM 0 H ILE A 28 6.014 -1.892 3.343 1.00 70.30 H new ATOM 0 HA ILE A 28 3.852 -2.887 1.614 1.00 63.11 H new ATOM 0 HB ILE A 28 6.868 -3.253 1.471 1.00 24.13 H new ATOM 0 HG12 ILE A 28 4.935 -1.721 -0.289 1.00 11.04 H new ATOM 0 HG13 ILE A 28 6.225 -1.062 0.697 1.00 11.04 H new ATOM 0 HG21 ILE A 28 6.477 -4.451 -0.659 1.00 62.25 H new ATOM 0 HG22 ILE A 28 5.767 -5.299 0.736 1.00 62.25 H new ATOM 0 HG23 ILE A 28 4.723 -4.368 -0.365 1.00 62.25 H new ATOM 0 HD11 ILE A 28 6.866 -1.105 -1.671 1.00 44.35 H new ATOM 0 HD12 ILE A 28 7.908 -2.194 -0.724 1.00 44.35 H new ATOM 0 HD13 ILE A 28 6.597 -2.864 -1.725 1.00 44.35 H new ATOM 479 N LEU A 29 3.762 -5.128 2.771 1.00 33.32 N ATOM 480 CA LEU A 29 3.674 -6.432 3.400 1.00 13.43 C ATOM 481 C LEU A 29 3.794 -7.494 2.322 1.00 31.04 C ATOM 482 O LEU A 29 3.101 -7.415 1.291 1.00 73.21 O ATOM 483 CB LEU A 29 2.335 -6.592 4.115 1.00 51.33 C ATOM 484 CG LEU A 29 2.148 -7.891 4.914 1.00 45.41 C ATOM 485 CD1 LEU A 29 3.155 -7.981 6.054 1.00 14.40 C ATOM 486 CD2 LEU A 29 0.733 -7.996 5.437 1.00 45.53 C ATOM 0 H LEU A 29 2.932 -4.863 2.241 1.00 33.32 H new ATOM 0 HA LEU A 29 4.474 -6.535 4.133 1.00 13.43 H new ATOM 0 HB2 LEU A 29 2.206 -5.749 4.794 1.00 51.33 H new ATOM 0 HB3 LEU A 29 1.539 -6.528 3.373 1.00 51.33 H new ATOM 0 HG LEU A 29 2.327 -8.730 4.242 1.00 45.41 H new ATOM 0 HD11 LEU A 29 3.001 -8.910 6.603 1.00 14.40 H new ATOM 0 HD12 LEU A 29 4.167 -7.963 5.648 1.00 14.40 H new ATOM 0 HD13 LEU A 29 3.019 -7.134 6.727 1.00 14.40 H new ATOM 0 HD21 LEU A 29 0.621 -8.923 6.000 1.00 45.53 H new ATOM 0 HD22 LEU A 29 0.522 -7.148 6.088 1.00 45.53 H new ATOM 0 HD23 LEU A 29 0.035 -7.993 4.600 1.00 45.53 H new ATOM 498 N ASN A 30 4.644 -8.468 2.543 1.00 21.34 N ATOM 499 CA ASN A 30 4.869 -9.528 1.569 1.00 3.35 C ATOM 500 C ASN A 30 4.049 -10.753 1.963 1.00 45.03 C ATOM 501 O ASN A 30 4.354 -11.408 2.962 1.00 14.15 O ATOM 502 CB ASN A 30 6.370 -9.927 1.531 1.00 72.13 C ATOM 503 CG ASN A 30 7.333 -8.762 1.288 1.00 31.12 C ATOM 504 OD1 ASN A 30 7.785 -8.111 2.232 1.00 12.52 O ATOM 505 ND2 ASN A 30 7.684 -8.511 0.047 1.00 23.34 N ATOM 0 H ASN A 30 5.199 -8.555 3.394 1.00 21.34 H new ATOM 0 HA ASN A 30 4.570 -9.166 0.585 1.00 3.35 H new ATOM 0 HB2 ASN A 30 6.629 -10.405 2.476 1.00 72.13 H new ATOM 0 HB3 ASN A 30 6.515 -10.671 0.747 1.00 72.13 H new ATOM 0 HD21 ASN A 30 8.346 -7.762 -0.154 1.00 23.34 H new ATOM 0 HD22 ASN A 30 7.294 -9.066 -0.715 1.00 23.34 H new ATOM 512 N THR A 31 2.987 -11.048 1.237 1.00 43.34 N ATOM 513 CA THR A 31 2.222 -12.235 1.539 1.00 71.04 C ATOM 514 C THR A 31 2.483 -13.331 0.505 1.00 61.13 C ATOM 515 O THR A 31 2.590 -13.046 -0.691 1.00 44.30 O ATOM 516 CB THR A 31 0.719 -11.942 1.654 1.00 15.22 C ATOM 517 OG1 THR A 31 0.284 -11.234 0.507 1.00 13.52 O ATOM 518 CG2 THR A 31 0.417 -11.146 2.912 1.00 54.45 C ATOM 0 H THR A 31 2.643 -10.494 0.452 1.00 43.34 H new ATOM 0 HA THR A 31 2.557 -12.591 2.513 1.00 71.04 H new ATOM 0 HB THR A 31 0.182 -12.888 1.718 1.00 15.22 H new ATOM 0 HG1 THR A 31 0.935 -11.352 -0.216 1.00 13.52 H new ATOM 0 HG21 THR A 31 -0.654 -10.951 2.971 1.00 54.45 H new ATOM 0 HG22 THR A 31 0.731 -11.715 3.787 1.00 54.45 H new ATOM 0 HG23 THR A 31 0.957 -10.200 2.882 1.00 54.45 H new ATOM 526 N PRO A 32 2.545 -14.606 0.942 1.00 72.23 N ATOM 527 CA PRO A 32 2.881 -15.757 0.068 1.00 43.15 C ATOM 528 C PRO A 32 1.788 -16.118 -0.954 1.00 33.11 C ATOM 529 O PRO A 32 1.836 -17.174 -1.575 1.00 70.35 O ATOM 530 CB PRO A 32 3.072 -16.905 1.062 1.00 4.14 C ATOM 531 CG PRO A 32 2.240 -16.534 2.234 1.00 24.22 C ATOM 532 CD PRO A 32 2.317 -15.039 2.338 1.00 10.23 C ATOM 0 HA PRO A 32 3.752 -15.533 -0.548 1.00 43.15 H new ATOM 0 HB2 PRO A 32 2.752 -17.855 0.635 1.00 4.14 H new ATOM 0 HB3 PRO A 32 4.120 -17.017 1.340 1.00 4.14 H new ATOM 0 HG2 PRO A 32 1.210 -16.863 2.101 1.00 24.22 H new ATOM 0 HG3 PRO A 32 2.612 -17.008 3.142 1.00 24.22 H new ATOM 0 HD2 PRO A 32 1.397 -14.617 2.744 1.00 10.23 H new ATOM 0 HD3 PRO A 32 3.129 -14.724 2.994 1.00 10.23 H new ATOM 540 N ASN A 33 0.840 -15.232 -1.150 1.00 4.35 N ATOM 541 CA ASN A 33 -0.254 -15.488 -2.093 1.00 75.34 C ATOM 542 C ASN A 33 -0.724 -14.207 -2.764 1.00 44.43 C ATOM 543 O ASN A 33 -1.259 -14.234 -3.869 1.00 43.14 O ATOM 544 CB ASN A 33 -1.464 -16.220 -1.446 1.00 25.54 C ATOM 545 CG ASN A 33 -2.212 -15.434 -0.360 1.00 15.21 C ATOM 546 OD1 ASN A 33 -3.427 -15.549 -0.237 1.00 70.03 O ATOM 547 ND2 ASN A 33 -1.504 -14.710 0.470 1.00 13.45 N ATOM 0 H ASN A 33 0.793 -14.329 -0.678 1.00 4.35 H new ATOM 0 HA ASN A 33 0.163 -16.155 -2.847 1.00 75.34 H new ATOM 0 HB2 ASN A 33 -2.172 -16.480 -2.233 1.00 25.54 H new ATOM 0 HB3 ASN A 33 -1.110 -17.156 -1.013 1.00 25.54 H new ATOM 0 HD21 ASN A 33 -1.962 -14.225 1.242 1.00 13.45 H new ATOM 0 HD22 ASN A 33 -0.495 -14.631 0.345 1.00 13.45 H new ATOM 554 N CYS A 34 -0.501 -13.092 -2.113 1.00 20.51 N ATOM 555 CA CYS A 34 -0.932 -11.813 -2.635 1.00 3.31 C ATOM 556 C CYS A 34 0.236 -10.934 -3.007 1.00 31.33 C ATOM 557 O CYS A 34 0.047 -9.773 -3.394 1.00 44.11 O ATOM 558 CB CYS A 34 -1.832 -11.113 -1.623 1.00 75.42 C ATOM 559 SG CYS A 34 -3.493 -11.842 -1.452 1.00 60.50 S ATOM 0 H CYS A 34 -0.021 -13.042 -1.215 1.00 20.51 H new ATOM 0 HA CYS A 34 -1.498 -11.999 -3.548 1.00 3.31 H new ATOM 0 HB2 CYS A 34 -1.342 -11.127 -0.650 1.00 75.42 H new ATOM 0 HB3 CYS A 34 -1.937 -10.067 -1.912 1.00 75.42 H new ATOM 564 N ALA A 35 1.437 -11.504 -2.913 1.00 73.13 N ATOM 565 CA ALA A 35 2.691 -10.834 -3.231 1.00 54.31 C ATOM 566 C ALA A 35 2.958 -9.630 -2.334 1.00 62.35 C ATOM 567 O ALA A 35 3.649 -9.745 -1.329 1.00 2.20 O ATOM 568 CB ALA A 35 2.791 -10.469 -4.717 1.00 51.30 C ATOM 0 H ALA A 35 1.565 -12.468 -2.606 1.00 73.13 H new ATOM 0 HA ALA A 35 3.481 -11.556 -3.024 1.00 54.31 H new ATOM 0 HB1 ALA A 35 3.742 -9.972 -4.906 1.00 51.30 H new ATOM 0 HB2 ALA A 35 2.729 -11.375 -5.319 1.00 51.30 H new ATOM 0 HB3 ALA A 35 1.973 -9.800 -4.983 1.00 51.30 H new ATOM 574 N LEU A 36 2.367 -8.500 -2.658 1.00 33.11 N ATOM 575 CA LEU A 36 2.635 -7.272 -1.944 1.00 53.12 C ATOM 576 C LEU A 36 1.365 -6.539 -1.610 1.00 24.12 C ATOM 577 O LEU A 36 0.485 -6.394 -2.454 1.00 52.11 O ATOM 578 CB LEU A 36 3.508 -6.341 -2.796 1.00 12.23 C ATOM 579 CG LEU A 36 4.877 -6.864 -3.214 1.00 42.22 C ATOM 580 CD1 LEU A 36 5.594 -5.831 -4.048 1.00 44.04 C ATOM 581 CD2 LEU A 36 5.695 -7.209 -2.004 1.00 32.44 C ATOM 0 H LEU A 36 1.693 -8.407 -3.418 1.00 33.11 H new ATOM 0 HA LEU A 36 3.149 -7.545 -1.022 1.00 53.12 H new ATOM 0 HB2 LEU A 36 2.952 -6.088 -3.699 1.00 12.23 H new ATOM 0 HB3 LEU A 36 3.655 -5.414 -2.242 1.00 12.23 H new ATOM 0 HG LEU A 36 4.739 -7.766 -3.811 1.00 42.22 H new ATOM 0 HD11 LEU A 36 6.571 -6.215 -4.341 1.00 44.04 H new ATOM 0 HD12 LEU A 36 5.007 -5.612 -4.940 1.00 44.04 H new ATOM 0 HD13 LEU A 36 5.722 -4.919 -3.466 1.00 44.04 H new ATOM 0 HD21 LEU A 36 6.670 -7.581 -2.318 1.00 32.44 H new ATOM 0 HD22 LEU A 36 5.827 -6.319 -1.388 1.00 32.44 H new ATOM 0 HD23 LEU A 36 5.182 -7.978 -1.425 1.00 32.44 H new ATOM 593 N GLN A 37 1.265 -6.087 -0.388 1.00 51.10 N ATOM 594 CA GLN A 37 0.186 -5.220 0.002 1.00 75.55 C ATOM 595 C GLN A 37 0.810 -3.993 0.551 1.00 50.02 C ATOM 596 O GLN A 37 1.659 -4.076 1.430 1.00 22.55 O ATOM 597 CB GLN A 37 -0.786 -5.816 1.059 1.00 20.51 C ATOM 598 CG GLN A 37 -1.610 -7.038 0.635 1.00 33.43 C ATOM 599 CD GLN A 37 -0.934 -8.388 0.832 1.00 22.01 C ATOM 600 OE1 GLN A 37 -1.602 -9.378 1.054 1.00 51.11 O ATOM 601 NE2 GLN A 37 0.363 -8.450 0.792 1.00 72.30 N ATOM 0 H GLN A 37 1.923 -6.307 0.359 1.00 51.10 H new ATOM 0 HA GLN A 37 -0.431 -5.041 -0.878 1.00 75.55 H new ATOM 0 HB2 GLN A 37 -0.204 -6.089 1.939 1.00 20.51 H new ATOM 0 HB3 GLN A 37 -1.477 -5.031 1.365 1.00 20.51 H new ATOM 0 HG2 GLN A 37 -2.545 -7.035 1.195 1.00 33.43 H new ATOM 0 HG3 GLN A 37 -1.869 -6.932 -0.419 1.00 33.43 H new ATOM 0 HE21 GLN A 37 0.908 -7.609 0.604 1.00 72.30 H new ATOM 0 HE22 GLN A 37 0.836 -9.340 0.948 1.00 72.30 H new ATOM 610 N ILE A 38 0.433 -2.876 0.040 1.00 41.14 N ATOM 611 CA ILE A 38 1.020 -1.646 0.463 1.00 51.43 C ATOM 612 C ILE A 38 -0.083 -0.740 0.980 1.00 2.30 C ATOM 613 O ILE A 38 -1.198 -0.788 0.475 1.00 70.10 O ATOM 614 CB ILE A 38 1.755 -0.982 -0.715 1.00 44.53 C ATOM 615 CG1 ILE A 38 2.544 -2.038 -1.488 1.00 33.31 C ATOM 616 CG2 ILE A 38 2.720 0.081 -0.190 1.00 40.22 C ATOM 617 CD1 ILE A 38 3.251 -1.502 -2.683 1.00 45.42 C ATOM 0 H ILE A 38 -0.285 -2.784 -0.678 1.00 41.14 H new ATOM 0 HA ILE A 38 1.746 -1.829 1.256 1.00 51.43 H new ATOM 0 HB ILE A 38 1.023 -0.515 -1.374 1.00 44.53 H new ATOM 0 HG12 ILE A 38 3.274 -2.495 -0.820 1.00 33.31 H new ATOM 0 HG13 ILE A 38 1.863 -2.828 -1.804 1.00 33.31 H new ATOM 0 HG21 ILE A 38 3.238 0.548 -1.028 1.00 40.22 H new ATOM 0 HG22 ILE A 38 2.162 0.839 0.360 1.00 40.22 H new ATOM 0 HG23 ILE A 38 3.449 -0.385 0.473 1.00 40.22 H new ATOM 0 HD11 ILE A 38 3.789 -2.309 -3.180 1.00 45.42 H new ATOM 0 HD12 ILE A 38 2.525 -1.071 -3.372 1.00 45.42 H new ATOM 0 HD13 ILE A 38 3.958 -0.732 -2.373 1.00 45.42 H new ATOM 629 N VAL A 39 0.212 0.063 1.968 1.00 33.21 N ATOM 630 CA VAL A 39 -0.790 0.929 2.593 1.00 24.33 C ATOM 631 C VAL A 39 -0.289 2.363 2.669 1.00 4.31 C ATOM 632 O VAL A 39 0.811 2.587 3.104 1.00 53.45 O ATOM 633 CB VAL A 39 -1.200 0.416 4.011 1.00 14.04 C ATOM 634 CG1 VAL A 39 -1.964 -0.896 3.914 1.00 72.43 C ATOM 635 CG2 VAL A 39 0.031 0.226 4.898 1.00 51.12 C ATOM 0 H VAL A 39 1.145 0.146 2.371 1.00 33.21 H new ATOM 0 HA VAL A 39 -1.680 0.901 1.964 1.00 24.33 H new ATOM 0 HB VAL A 39 -1.847 1.170 4.459 1.00 14.04 H new ATOM 0 HG11 VAL A 39 -2.238 -1.232 4.914 1.00 72.43 H new ATOM 0 HG12 VAL A 39 -2.866 -0.749 3.321 1.00 72.43 H new ATOM 0 HG13 VAL A 39 -1.336 -1.649 3.438 1.00 72.43 H new ATOM 0 HG21 VAL A 39 -0.280 -0.131 5.880 1.00 51.12 H new ATOM 0 HG22 VAL A 39 0.700 -0.504 4.441 1.00 51.12 H new ATOM 0 HG23 VAL A 39 0.552 1.177 5.006 1.00 51.12 H new ATOM 645 N ALA A 40 -1.090 3.317 2.234 1.00 24.22 N ATOM 646 CA ALA A 40 -0.682 4.724 2.231 1.00 42.21 C ATOM 647 C ALA A 40 -1.613 5.564 3.071 1.00 3.50 C ATOM 648 O ALA A 40 -2.807 5.624 2.791 1.00 20.10 O ATOM 649 CB ALA A 40 -0.692 5.269 0.809 1.00 60.51 C ATOM 0 H ALA A 40 -2.030 3.151 1.876 1.00 24.22 H new ATOM 0 HA ALA A 40 0.323 4.775 2.649 1.00 42.21 H new ATOM 0 HB1 ALA A 40 -0.387 6.315 0.818 1.00 60.51 H new ATOM 0 HB2 ALA A 40 0.001 4.695 0.194 1.00 60.51 H new ATOM 0 HB3 ALA A 40 -1.697 5.188 0.395 1.00 60.51 H new ATOM 655 N ARG A 41 -1.082 6.216 4.095 1.00 52.20 N ATOM 656 CA ARG A 41 -1.887 7.103 4.892 1.00 32.23 C ATOM 657 C ARG A 41 -1.597 8.519 4.506 1.00 60.23 C ATOM 658 O ARG A 41 -0.440 8.954 4.525 1.00 65.53 O ATOM 659 CB ARG A 41 -1.687 6.877 6.387 1.00 44.25 C ATOM 660 CG ARG A 41 -2.497 7.810 7.251 1.00 0.23 C ATOM 661 CD ARG A 41 -2.523 7.351 8.701 1.00 33.12 C ATOM 662 NE ARG A 41 -1.186 7.289 9.323 1.00 62.41 N ATOM 663 CZ ARG A 41 -0.864 6.487 10.363 1.00 41.40 C ATOM 664 NH1 ARG A 41 -1.785 5.687 10.904 1.00 31.54 N ATOM 665 NH2 ARG A 41 0.370 6.504 10.869 1.00 71.05 N ATOM 0 H ARG A 41 -0.107 6.143 4.384 1.00 52.20 H new ATOM 0 HA ARG A 41 -2.937 6.887 4.692 1.00 32.23 H new ATOM 0 HB2 ARG A 41 -1.953 5.848 6.629 1.00 44.25 H new ATOM 0 HB3 ARG A 41 -0.631 6.998 6.626 1.00 44.25 H new ATOM 0 HG2 ARG A 41 -2.078 8.815 7.194 1.00 0.23 H new ATOM 0 HG3 ARG A 41 -3.516 7.868 6.869 1.00 0.23 H new ATOM 0 HD2 ARG A 41 -3.152 8.029 9.277 1.00 33.12 H new ATOM 0 HD3 ARG A 41 -2.986 6.365 8.754 1.00 33.12 H new ATOM 0 HE ARG A 41 -0.456 7.891 8.943 1.00 62.41 H new ATOM 0 HH11 ARG A 41 -2.735 5.679 10.533 1.00 31.54 H new ATOM 0 HH12 ARG A 41 -1.539 5.083 11.688 1.00 31.54 H new ATOM 0 HH21 ARG A 41 1.076 7.124 10.471 1.00 71.05 H new ATOM 0 HH22 ARG A 41 0.608 5.897 11.654 1.00 71.05 H new ATOM 679 N LEU A 42 -2.633 9.232 4.157 1.00 13.05 N ATOM 680 CA LEU A 42 -2.496 10.592 3.639 1.00 72.20 C ATOM 681 C LEU A 42 -2.134 11.565 4.750 1.00 32.53 C ATOM 682 O LEU A 42 -2.569 11.401 5.887 1.00 45.51 O ATOM 683 CB LEU A 42 -3.783 11.059 2.915 1.00 23.43 C ATOM 684 CG LEU A 42 -4.358 10.118 1.818 1.00 52.13 C ATOM 685 CD1 LEU A 42 -5.270 10.846 0.840 1.00 12.14 C ATOM 686 CD2 LEU A 42 -3.295 9.300 1.093 1.00 73.04 C ATOM 0 H LEU A 42 -3.596 8.901 4.218 1.00 13.05 H new ATOM 0 HA LEU A 42 -1.686 10.579 2.910 1.00 72.20 H new ATOM 0 HB2 LEU A 42 -4.557 11.215 3.667 1.00 23.43 H new ATOM 0 HB3 LEU A 42 -3.582 12.028 2.458 1.00 23.43 H new ATOM 0 HG LEU A 42 -4.973 9.400 2.360 1.00 52.13 H new ATOM 0 HD11 LEU A 42 -5.643 10.141 0.097 1.00 12.14 H new ATOM 0 HD12 LEU A 42 -6.110 11.281 1.381 1.00 12.14 H new ATOM 0 HD13 LEU A 42 -4.711 11.638 0.341 1.00 12.14 H new ATOM 0 HD21 LEU A 42 -3.771 8.668 0.343 1.00 73.04 H new ATOM 0 HD22 LEU A 42 -2.588 9.972 0.606 1.00 73.04 H new ATOM 0 HD23 LEU A 42 -2.765 8.674 1.811 1.00 73.04 H new ATOM 698 N LYS A 43 -1.320 12.544 4.434 1.00 45.43 N ATOM 699 CA LYS A 43 -0.894 13.540 5.417 1.00 72.15 C ATOM 700 C LYS A 43 -2.066 14.456 5.804 1.00 13.04 C ATOM 701 O LYS A 43 -2.257 14.788 6.973 1.00 42.01 O ATOM 702 CB LYS A 43 0.226 14.403 4.837 1.00 63.04 C ATOM 703 CG LYS A 43 1.421 13.663 4.372 1.00 42.51 C ATOM 704 CD LYS A 43 2.369 14.628 3.726 1.00 33.43 C ATOM 705 CE LYS A 43 3.664 13.976 3.459 1.00 55.13 C ATOM 706 NZ LYS A 43 4.621 14.887 2.783 1.00 24.34 N ATOM 0 H LYS A 43 -0.932 12.682 3.501 1.00 45.43 H new ATOM 0 HA LYS A 43 -0.539 13.010 6.301 1.00 72.15 H new ATOM 0 HB2 LYS A 43 -0.175 14.975 4.000 1.00 63.04 H new ATOM 0 HB3 LYS A 43 0.537 15.122 5.595 1.00 63.04 H new ATOM 0 HG2 LYS A 43 1.905 13.164 5.211 1.00 42.51 H new ATOM 0 HG3 LYS A 43 1.132 12.887 3.663 1.00 42.51 H new ATOM 0 HD2 LYS A 43 1.942 14.998 2.794 1.00 33.43 H new ATOM 0 HD3 LYS A 43 2.516 15.492 4.374 1.00 33.43 H new ATOM 0 HE2 LYS A 43 4.096 13.631 4.398 1.00 55.13 H new ATOM 0 HE3 LYS A 43 3.504 13.094 2.838 1.00 55.13 H new ATOM 0 HZ1 LYS A 43 5.574 14.472 2.812 1.00 24.34 H new ATOM 0 HZ2 LYS A 43 4.332 15.022 1.793 1.00 24.34 H new ATOM 0 HZ3 LYS A 43 4.628 15.806 3.270 1.00 24.34 H new ATOM 720 N ASN A 44 -2.841 14.835 4.820 1.00 31.44 N ATOM 721 CA ASN A 44 -3.952 15.762 5.005 1.00 62.15 C ATOM 722 C ASN A 44 -5.240 15.010 5.254 1.00 61.22 C ATOM 723 O ASN A 44 -5.897 15.215 6.275 1.00 41.03 O ATOM 724 CB ASN A 44 -4.097 16.649 3.760 1.00 3.04 C ATOM 725 CG ASN A 44 -5.213 17.682 3.847 1.00 34.12 C ATOM 726 OD1 ASN A 44 -5.546 18.186 4.922 1.00 3.34 O ATOM 727 ND2 ASN A 44 -5.794 18.000 2.715 1.00 62.23 N ATOM 0 H ASN A 44 -2.727 14.513 3.859 1.00 31.44 H new ATOM 0 HA ASN A 44 -3.744 16.386 5.874 1.00 62.15 H new ATOM 0 HB2 ASN A 44 -3.153 17.166 3.586 1.00 3.04 H new ATOM 0 HB3 ASN A 44 -4.276 16.012 2.894 1.00 3.04 H new ATOM 0 HD21 ASN A 44 -6.549 18.686 2.704 1.00 62.23 H new ATOM 0 HD22 ASN A 44 -5.491 17.562 1.845 1.00 62.23 H new ATOM 734 N ASN A 45 -5.587 14.119 4.328 1.00 1.22 N ATOM 735 CA ASN A 45 -6.823 13.343 4.433 1.00 1.03 C ATOM 736 C ASN A 45 -6.754 12.385 5.615 1.00 11.13 C ATOM 737 O ASN A 45 -7.763 12.030 6.203 1.00 11.42 O ATOM 738 CB ASN A 45 -7.096 12.604 3.125 1.00 72.33 C ATOM 739 CG ASN A 45 -8.452 11.906 3.064 1.00 64.12 C ATOM 740 OD1 ASN A 45 -8.551 10.874 2.254 1.00 34.54 O flip ATOM 741 ND2 ASN A 45 -9.405 12.314 3.703 1.00 52.13 N flip ATOM 0 H ASN A 45 -5.031 13.916 3.497 1.00 1.22 H new ATOM 0 HA ASN A 45 -7.655 14.024 4.611 1.00 1.03 H new ATOM 0 HB2 ASN A 45 -7.029 13.314 2.301 1.00 72.33 H new ATOM 0 HB3 ASN A 45 -6.312 11.862 2.971 1.00 72.33 H new ATOM 0 HD21 ASN A 45 -9.297 13.117 4.323 1.00 52.13 H new ATOM 0 HD22 ASN A 45 -10.311 11.853 3.618 1.00 52.13 H new ATOM 748 N ASN A 46 -5.522 11.977 5.950 1.00 12.13 N ATOM 749 CA ASN A 46 -5.212 11.103 7.106 1.00 22.03 C ATOM 750 C ASN A 46 -5.825 9.710 6.945 1.00 23.23 C ATOM 751 O ASN A 46 -5.798 8.873 7.843 1.00 33.10 O ATOM 752 CB ASN A 46 -5.607 11.801 8.439 1.00 0.13 C ATOM 753 CG ASN A 46 -5.186 11.047 9.697 1.00 33.11 C ATOM 754 OD1 ASN A 46 -4.060 11.203 10.167 1.00 23.33 O ATOM 755 ND2 ASN A 46 -6.080 10.280 10.266 1.00 60.13 N ATOM 0 H ASN A 46 -4.693 12.246 5.420 1.00 12.13 H new ATOM 0 HA ASN A 46 -4.134 10.943 7.141 1.00 22.03 H new ATOM 0 HB2 ASN A 46 -5.161 12.795 8.460 1.00 0.13 H new ATOM 0 HB3 ASN A 46 -6.688 11.937 8.457 1.00 0.13 H new ATOM 0 HD21 ASN A 46 -5.853 9.787 11.129 1.00 60.13 H new ATOM 0 HD22 ASN A 46 -7.004 10.175 9.846 1.00 60.13 H new ATOM 762 N ARG A 47 -6.312 9.443 5.772 1.00 31.25 N ATOM 763 CA ARG A 47 -6.905 8.171 5.507 1.00 15.40 C ATOM 764 C ARG A 47 -5.915 7.298 4.840 1.00 11.52 C ATOM 765 O ARG A 47 -5.019 7.786 4.145 1.00 12.13 O ATOM 766 CB ARG A 47 -8.158 8.283 4.668 1.00 65.11 C ATOM 767 CG ARG A 47 -9.246 9.102 5.311 1.00 52.12 C ATOM 768 CD ARG A 47 -10.502 9.050 4.501 1.00 34.21 C ATOM 769 NE ARG A 47 -11.549 9.876 5.076 1.00 4.11 N ATOM 770 CZ ARG A 47 -12.831 9.812 4.740 1.00 63.41 C ATOM 771 NH1 ARG A 47 -13.241 8.916 3.838 1.00 24.33 N ATOM 772 NH2 ARG A 47 -13.698 10.640 5.309 1.00 15.55 N ATOM 0 H ARG A 47 -6.310 10.090 4.983 1.00 31.25 H new ATOM 0 HA ARG A 47 -7.203 7.736 6.461 1.00 15.40 H new ATOM 0 HB2 ARG A 47 -7.902 8.727 3.706 1.00 65.11 H new ATOM 0 HB3 ARG A 47 -8.540 7.282 4.466 1.00 65.11 H new ATOM 0 HG2 ARG A 47 -9.441 8.729 6.317 1.00 52.12 H new ATOM 0 HG3 ARG A 47 -8.917 10.136 5.413 1.00 52.12 H new ATOM 0 HD2 ARG A 47 -10.293 9.383 3.484 1.00 34.21 H new ATOM 0 HD3 ARG A 47 -10.848 8.019 4.433 1.00 34.21 H new ATOM 0 HE ARG A 47 -11.280 10.554 5.789 1.00 4.11 H new ATOM 0 HH11 ARG A 47 -12.569 8.281 3.408 1.00 24.33 H new ATOM 0 HH12 ARG A 47 -14.227 8.867 3.580 1.00 24.33 H new ATOM 0 HH21 ARG A 47 -13.377 11.319 5.999 1.00 15.55 H new ATOM 0 HH22 ARG A 47 -14.685 10.597 5.056 1.00 15.55 H new ATOM 786 N GLN A 48 -6.042 6.041 5.057 1.00 21.20 N ATOM 787 CA GLN A 48 -5.164 5.106 4.514 1.00 13.53 C ATOM 788 C GLN A 48 -5.835 4.240 3.484 1.00 12.13 C ATOM 789 O GLN A 48 -6.859 3.605 3.751 1.00 1.12 O ATOM 790 CB GLN A 48 -4.505 4.298 5.614 1.00 23.24 C ATOM 791 CG GLN A 48 -3.691 3.152 5.103 1.00 61.52 C ATOM 792 CD GLN A 48 -2.768 2.576 6.143 1.00 71.21 C ATOM 793 OE1 GLN A 48 -1.630 3.016 6.279 1.00 45.41 O ATOM 794 NE2 GLN A 48 -3.229 1.596 6.870 1.00 65.13 N ATOM 0 H GLN A 48 -6.781 5.637 5.632 1.00 21.20 H new ATOM 0 HA GLN A 48 -4.376 5.643 3.986 1.00 13.53 H new ATOM 0 HB2 GLN A 48 -3.865 4.955 6.203 1.00 23.24 H new ATOM 0 HB3 GLN A 48 -5.274 3.917 6.285 1.00 23.24 H new ATOM 0 HG2 GLN A 48 -4.360 2.369 4.745 1.00 61.52 H new ATOM 0 HG3 GLN A 48 -3.103 3.484 4.247 1.00 61.52 H new ATOM 0 HE21 GLN A 48 -4.181 1.258 6.727 1.00 65.13 H new ATOM 0 HE22 GLN A 48 -2.638 1.167 7.582 1.00 65.13 H new ATOM 803 N VAL A 49 -5.265 4.244 2.315 1.00 10.34 N ATOM 804 CA VAL A 49 -5.717 3.442 1.210 1.00 74.12 C ATOM 805 C VAL A 49 -4.600 2.522 0.784 1.00 24.01 C ATOM 806 O VAL A 49 -3.423 2.880 0.869 1.00 34.30 O ATOM 807 CB VAL A 49 -6.189 4.308 -0.004 1.00 24.53 C ATOM 808 CG1 VAL A 49 -7.420 5.110 0.370 1.00 2.43 C ATOM 809 CG2 VAL A 49 -5.081 5.252 -0.459 1.00 11.42 C ATOM 0 H VAL A 49 -4.452 4.819 2.095 1.00 10.34 H new ATOM 0 HA VAL A 49 -6.581 2.867 1.543 1.00 74.12 H new ATOM 0 HB VAL A 49 -6.434 3.634 -0.825 1.00 24.53 H new ATOM 0 HG11 VAL A 49 -7.738 5.708 -0.484 1.00 2.43 H new ATOM 0 HG12 VAL A 49 -8.223 4.431 0.657 1.00 2.43 H new ATOM 0 HG13 VAL A 49 -7.185 5.768 1.207 1.00 2.43 H new ATOM 0 HG21 VAL A 49 -5.432 5.844 -1.304 1.00 11.42 H new ATOM 0 HG22 VAL A 49 -4.809 5.916 0.361 1.00 11.42 H new ATOM 0 HG23 VAL A 49 -4.209 4.671 -0.760 1.00 11.42 H new ATOM 819 N CYS A 50 -4.949 1.341 0.408 1.00 2.50 N ATOM 820 CA CYS A 50 -3.986 0.390 -0.087 1.00 20.31 C ATOM 821 C CYS A 50 -3.469 0.811 -1.443 1.00 72.42 C ATOM 822 O CYS A 50 -4.233 1.194 -2.308 1.00 70.02 O ATOM 823 CB CYS A 50 -4.600 -1.001 -0.140 1.00 4.44 C ATOM 824 SG CYS A 50 -5.074 -1.649 1.505 1.00 44.31 S ATOM 0 H CYS A 50 -5.909 0.996 0.431 1.00 2.50 H new ATOM 0 HA CYS A 50 -3.138 0.362 0.597 1.00 20.31 H new ATOM 0 HB2 CYS A 50 -5.482 -0.977 -0.781 1.00 4.44 H new ATOM 0 HB3 CYS A 50 -3.889 -1.687 -0.601 1.00 4.44 H new ATOM 829 N ILE A 51 -2.183 0.751 -1.604 1.00 44.21 N ATOM 830 CA ILE A 51 -1.525 1.139 -2.829 1.00 61.44 C ATOM 831 C ILE A 51 -1.019 -0.038 -3.591 1.00 24.41 C ATOM 832 O ILE A 51 -0.553 -1.028 -3.012 1.00 53.25 O ATOM 833 CB ILE A 51 -0.391 2.145 -2.622 1.00 32.45 C ATOM 834 CG1 ILE A 51 0.047 2.189 -1.171 1.00 14.51 C ATOM 835 CG2 ILE A 51 -0.788 3.508 -3.120 1.00 3.34 C ATOM 836 CD1 ILE A 51 1.220 3.073 -0.934 1.00 22.43 C ATOM 0 H ILE A 51 -1.543 0.426 -0.879 1.00 44.21 H new ATOM 0 HA ILE A 51 -2.299 1.635 -3.414 1.00 61.44 H new ATOM 0 HB ILE A 51 0.466 1.813 -3.209 1.00 32.45 H new ATOM 0 HG12 ILE A 51 -0.787 2.532 -0.558 1.00 14.51 H new ATOM 0 HG13 ILE A 51 0.290 1.179 -0.842 1.00 14.51 H new ATOM 0 HG21 ILE A 51 0.034 4.207 -2.962 1.00 3.34 H new ATOM 0 HG22 ILE A 51 -1.019 3.454 -4.184 1.00 3.34 H new ATOM 0 HG23 ILE A 51 -1.667 3.853 -2.575 1.00 3.34 H new ATOM 0 HD11 ILE A 51 1.479 3.057 0.125 1.00 22.43 H new ATOM 0 HD12 ILE A 51 2.067 2.718 -1.521 1.00 22.43 H new ATOM 0 HD13 ILE A 51 0.974 4.092 -1.232 1.00 22.43 H new ATOM 848 N ASP A 52 -1.113 0.074 -4.882 1.00 12.53 N ATOM 849 CA ASP A 52 -0.733 -0.983 -5.786 1.00 73.23 C ATOM 850 C ASP A 52 0.791 -0.999 -5.988 1.00 54.02 C ATOM 851 O ASP A 52 1.398 0.048 -6.233 1.00 12.33 O ATOM 852 CB ASP A 52 -1.442 -0.776 -7.117 1.00 34.13 C ATOM 853 CG ASP A 52 -1.164 -1.861 -8.108 1.00 23.24 C ATOM 854 OD1 ASP A 52 -0.189 -1.766 -8.842 1.00 2.43 O ATOM 855 OD2 ASP A 52 -1.941 -2.835 -8.171 1.00 42.53 O ATOM 0 H ASP A 52 -1.460 0.912 -5.349 1.00 12.53 H new ATOM 0 HA ASP A 52 -1.026 -1.944 -5.362 1.00 73.23 H new ATOM 0 HB2 ASP A 52 -2.517 -0.718 -6.944 1.00 34.13 H new ATOM 0 HB3 ASP A 52 -1.135 0.181 -7.540 1.00 34.13 H new ATOM 860 N PRO A 53 1.425 -2.189 -5.892 1.00 50.03 N ATOM 861 CA PRO A 53 2.895 -2.346 -6.019 1.00 1.33 C ATOM 862 C PRO A 53 3.486 -2.009 -7.401 1.00 34.24 C ATOM 863 O PRO A 53 4.701 -2.089 -7.588 1.00 21.23 O ATOM 864 CB PRO A 53 3.127 -3.824 -5.701 1.00 14.53 C ATOM 865 CG PRO A 53 1.823 -4.481 -5.985 1.00 42.14 C ATOM 866 CD PRO A 53 0.773 -3.484 -5.605 1.00 23.44 C ATOM 0 HA PRO A 53 3.395 -1.641 -5.356 1.00 1.33 H new ATOM 0 HB2 PRO A 53 3.923 -4.241 -6.317 1.00 14.53 H new ATOM 0 HB3 PRO A 53 3.423 -3.964 -4.661 1.00 14.53 H new ATOM 0 HG2 PRO A 53 1.743 -4.752 -7.038 1.00 42.14 H new ATOM 0 HG3 PRO A 53 1.715 -5.401 -5.410 1.00 42.14 H new ATOM 0 HD2 PRO A 53 -0.138 -3.615 -6.189 1.00 23.44 H new ATOM 0 HD3 PRO A 53 0.494 -3.572 -4.555 1.00 23.44 H new ATOM 874 N LYS A 54 2.660 -1.655 -8.365 1.00 13.30 N ATOM 875 CA LYS A 54 3.190 -1.298 -9.672 1.00 42.41 C ATOM 876 C LYS A 54 3.680 0.134 -9.703 1.00 54.54 C ATOM 877 O LYS A 54 4.362 0.538 -10.651 1.00 41.53 O ATOM 878 CB LYS A 54 2.196 -1.576 -10.798 1.00 23.23 C ATOM 879 CG LYS A 54 1.880 -3.050 -11.004 1.00 60.44 C ATOM 880 CD LYS A 54 3.099 -3.828 -11.468 1.00 2.43 C ATOM 881 CE LYS A 54 3.566 -3.372 -12.842 1.00 31.51 C ATOM 882 NZ LYS A 54 4.769 -4.095 -13.287 1.00 64.31 N ATOM 0 H LYS A 54 1.645 -1.606 -8.277 1.00 13.30 H new ATOM 0 HA LYS A 54 4.051 -1.944 -9.847 1.00 42.41 H new ATOM 0 HB2 LYS A 54 1.268 -1.043 -10.588 1.00 23.23 H new ATOM 0 HB3 LYS A 54 2.594 -1.168 -11.727 1.00 23.23 H new ATOM 0 HG2 LYS A 54 1.510 -3.476 -10.072 1.00 60.44 H new ATOM 0 HG3 LYS A 54 1.082 -3.151 -11.740 1.00 60.44 H new ATOM 0 HD2 LYS A 54 3.908 -3.702 -10.748 1.00 2.43 H new ATOM 0 HD3 LYS A 54 2.862 -4.892 -11.498 1.00 2.43 H new ATOM 0 HE2 LYS A 54 2.765 -3.523 -13.565 1.00 31.51 H new ATOM 0 HE3 LYS A 54 3.775 -2.303 -12.817 1.00 31.51 H new ATOM 0 HZ1 LYS A 54 5.052 -3.753 -14.227 1.00 64.31 H new ATOM 0 HZ2 LYS A 54 5.543 -3.931 -12.612 1.00 64.31 H new ATOM 0 HZ3 LYS A 54 4.563 -5.113 -13.337 1.00 64.31 H new ATOM 896 N LEU A 55 3.339 0.908 -8.669 1.00 11.22 N ATOM 897 CA LEU A 55 3.821 2.274 -8.570 1.00 50.52 C ATOM 898 C LEU A 55 5.336 2.270 -8.431 1.00 2.05 C ATOM 899 O LEU A 55 5.896 1.716 -7.475 1.00 75.53 O ATOM 900 CB LEU A 55 3.170 3.021 -7.410 1.00 71.45 C ATOM 901 CG LEU A 55 1.651 3.177 -7.472 1.00 43.52 C ATOM 902 CD1 LEU A 55 1.143 3.929 -6.255 1.00 42.22 C ATOM 903 CD2 LEU A 55 1.244 3.892 -8.745 1.00 71.14 C ATOM 0 H LEU A 55 2.738 0.610 -7.901 1.00 11.22 H new ATOM 0 HA LEU A 55 3.545 2.802 -9.482 1.00 50.52 H new ATOM 0 HB2 LEU A 55 3.423 2.503 -6.485 1.00 71.45 H new ATOM 0 HB3 LEU A 55 3.614 4.015 -7.351 1.00 71.45 H new ATOM 0 HG LEU A 55 1.202 2.184 -7.475 1.00 43.52 H new ATOM 0 HD11 LEU A 55 0.059 4.031 -6.316 1.00 42.22 H new ATOM 0 HD12 LEU A 55 1.405 3.379 -5.352 1.00 42.22 H new ATOM 0 HD13 LEU A 55 1.599 4.919 -6.222 1.00 42.22 H new ATOM 0 HD21 LEU A 55 0.159 3.995 -8.774 1.00 71.14 H new ATOM 0 HD22 LEU A 55 1.703 4.880 -8.770 1.00 71.14 H new ATOM 0 HD23 LEU A 55 1.577 3.316 -9.608 1.00 71.14 H new ATOM 915 N LYS A 56 5.979 2.899 -9.368 1.00 31.03 N ATOM 916 CA LYS A 56 7.418 2.882 -9.490 1.00 2.34 C ATOM 917 C LYS A 56 8.078 3.656 -8.345 1.00 24.12 C ATOM 918 O LYS A 56 9.181 3.308 -7.905 1.00 43.43 O ATOM 919 CB LYS A 56 7.798 3.396 -10.913 1.00 13.23 C ATOM 920 CG LYS A 56 9.271 3.307 -11.336 1.00 0.51 C ATOM 921 CD LYS A 56 10.146 4.397 -10.745 1.00 31.52 C ATOM 922 CE LYS A 56 11.569 4.251 -11.243 1.00 2.33 C ATOM 923 NZ LYS A 56 12.436 5.358 -10.825 1.00 21.01 N ATOM 0 H LYS A 56 5.514 3.452 -10.088 1.00 31.03 H new ATOM 0 HA LYS A 56 7.804 1.867 -9.394 1.00 2.34 H new ATOM 0 HB2 LYS A 56 7.207 2.839 -11.639 1.00 13.23 H new ATOM 0 HB3 LYS A 56 7.491 4.439 -10.985 1.00 13.23 H new ATOM 0 HG2 LYS A 56 9.666 2.336 -11.039 1.00 0.51 H new ATOM 0 HG3 LYS A 56 9.330 3.356 -12.423 1.00 0.51 H new ATOM 0 HD2 LYS A 56 9.755 5.377 -11.020 1.00 31.52 H new ATOM 0 HD3 LYS A 56 10.126 4.340 -9.657 1.00 31.52 H new ATOM 0 HE2 LYS A 56 11.983 3.313 -10.874 1.00 2.33 H new ATOM 0 HE3 LYS A 56 11.563 4.191 -12.331 1.00 2.33 H new ATOM 0 HZ1 LYS A 56 13.424 5.133 -11.061 1.00 21.01 H new ATOM 0 HZ2 LYS A 56 12.151 6.228 -11.319 1.00 21.01 H new ATOM 0 HZ3 LYS A 56 12.348 5.499 -9.798 1.00 21.01 H new ATOM 937 N TRP A 57 7.391 4.666 -7.824 1.00 70.43 N ATOM 938 CA TRP A 57 7.938 5.432 -6.718 1.00 42.45 C ATOM 939 C TRP A 57 7.943 4.600 -5.426 1.00 73.45 C ATOM 940 O TRP A 57 8.721 4.863 -4.506 1.00 1.21 O ATOM 941 CB TRP A 57 7.205 6.795 -6.504 1.00 3.33 C ATOM 942 CG TRP A 57 5.748 6.738 -6.045 1.00 23.33 C ATOM 943 CD1 TRP A 57 4.622 6.916 -6.805 1.00 72.40 C ATOM 944 CD2 TRP A 57 5.285 6.514 -4.706 1.00 22.11 C ATOM 945 NE1 TRP A 57 3.495 6.819 -6.010 1.00 50.51 N ATOM 946 CE2 TRP A 57 3.880 6.567 -4.720 1.00 32.52 C ATOM 947 CE3 TRP A 57 5.930 6.271 -3.504 1.00 71.44 C ATOM 948 CZ2 TRP A 57 3.119 6.388 -3.559 1.00 63.13 C ATOM 949 CZ3 TRP A 57 5.184 6.089 -2.372 1.00 23.40 C ATOM 950 CH2 TRP A 57 3.790 6.150 -2.408 1.00 54.11 C ATOM 0 H TRP A 57 6.471 4.967 -8.144 1.00 70.43 H new ATOM 0 HA TRP A 57 8.968 5.672 -6.982 1.00 42.45 H new ATOM 0 HB2 TRP A 57 7.769 7.370 -5.770 1.00 3.33 H new ATOM 0 HB3 TRP A 57 7.243 7.350 -7.441 1.00 3.33 H new ATOM 0 HD1 TRP A 57 4.616 7.104 -7.868 1.00 72.40 H new ATOM 0 HE1 TRP A 57 2.532 6.919 -6.332 1.00 50.51 H new ATOM 0 HE3 TRP A 57 7.008 6.226 -3.461 1.00 71.44 H new ATOM 0 HZ2 TRP A 57 2.040 6.438 -3.581 1.00 63.13 H new ATOM 0 HZ3 TRP A 57 5.682 5.895 -1.434 1.00 23.40 H new ATOM 0 HH2 TRP A 57 3.233 6.004 -1.494 1.00 54.11 H new ATOM 961 N ILE A 58 7.075 3.593 -5.382 1.00 74.55 N ATOM 962 CA ILE A 58 6.921 2.723 -4.217 1.00 4.23 C ATOM 963 C ILE A 58 8.131 1.841 -4.014 1.00 43.00 C ATOM 964 O ILE A 58 8.730 1.846 -2.958 1.00 72.44 O ATOM 965 CB ILE A 58 5.666 1.807 -4.406 1.00 31.13 C ATOM 966 CG1 ILE A 58 4.375 2.563 -4.139 1.00 12.11 C ATOM 967 CG2 ILE A 58 5.740 0.538 -3.575 1.00 44.43 C ATOM 968 CD1 ILE A 58 4.214 2.940 -2.715 1.00 13.00 C ATOM 0 H ILE A 58 6.455 3.355 -6.156 1.00 74.55 H new ATOM 0 HA ILE A 58 6.805 3.364 -3.343 1.00 4.23 H new ATOM 0 HB ILE A 58 5.665 1.501 -5.452 1.00 31.13 H new ATOM 0 HG12 ILE A 58 4.353 3.463 -4.753 1.00 12.11 H new ATOM 0 HG13 ILE A 58 3.529 1.948 -4.445 1.00 12.11 H new ATOM 0 HG21 ILE A 58 4.845 -0.060 -3.744 1.00 44.43 H new ATOM 0 HG22 ILE A 58 6.620 -0.036 -3.865 1.00 44.43 H new ATOM 0 HG23 ILE A 58 5.808 0.798 -2.519 1.00 44.43 H new ATOM 0 HD11 ILE A 58 3.275 3.477 -2.585 1.00 13.00 H new ATOM 0 HD12 ILE A 58 4.206 2.041 -2.099 1.00 13.00 H new ATOM 0 HD13 ILE A 58 5.043 3.580 -2.412 1.00 13.00 H new ATOM 980 N GLN A 59 8.516 1.147 -5.037 1.00 41.32 N ATOM 981 CA GLN A 59 9.580 0.175 -4.936 1.00 24.41 C ATOM 982 C GLN A 59 10.924 0.846 -4.737 1.00 15.02 C ATOM 983 O GLN A 59 11.830 0.312 -4.091 1.00 41.21 O ATOM 984 CB GLN A 59 9.551 -0.747 -6.133 1.00 50.22 C ATOM 985 CG GLN A 59 9.697 -0.080 -7.483 1.00 4.35 C ATOM 986 CD GLN A 59 9.500 -1.069 -8.605 1.00 53.24 C ATOM 987 OE1 GLN A 59 8.669 -2.059 -8.367 1.00 61.21 O flip ATOM 988 NE2 GLN A 59 10.075 -0.940 -9.673 1.00 23.23 N flip ATOM 0 H GLN A 59 8.109 1.231 -5.968 1.00 41.32 H new ATOM 0 HA GLN A 59 9.421 -0.439 -4.049 1.00 24.41 H new ATOM 0 HB2 GLN A 59 10.350 -1.480 -6.023 1.00 50.22 H new ATOM 0 HB3 GLN A 59 8.610 -1.297 -6.121 1.00 50.22 H new ATOM 0 HG2 GLN A 59 8.969 0.726 -7.574 1.00 4.35 H new ATOM 0 HG3 GLN A 59 10.685 0.372 -7.563 1.00 4.35 H new ATOM 0 HE21 GLN A 59 10.713 -0.157 -9.818 1.00 23.23 H new ATOM 0 HE22 GLN A 59 9.918 -1.615 -10.421 1.00 23.23 H new ATOM 997 N GLU A 60 11.024 2.026 -5.262 1.00 54.44 N ATOM 998 CA GLU A 60 12.220 2.838 -5.174 1.00 41.44 C ATOM 999 C GLU A 60 12.391 3.400 -3.766 1.00 42.45 C ATOM 1000 O GLU A 60 13.486 3.782 -3.354 1.00 25.14 O ATOM 1001 CB GLU A 60 12.113 3.965 -6.201 1.00 25.34 C ATOM 1002 CG GLU A 60 13.248 4.969 -6.221 1.00 3.23 C ATOM 1003 CD GLU A 60 12.927 6.130 -7.122 1.00 20.32 C ATOM 1004 OE1 GLU A 60 13.042 5.994 -8.348 1.00 32.02 O ATOM 1005 OE2 GLU A 60 12.531 7.203 -6.614 1.00 65.50 O ATOM 0 H GLU A 60 10.265 2.472 -5.778 1.00 54.44 H new ATOM 0 HA GLU A 60 13.098 2.228 -5.387 1.00 41.44 H new ATOM 0 HB2 GLU A 60 12.035 3.518 -7.192 1.00 25.34 H new ATOM 0 HB3 GLU A 60 11.183 4.504 -6.021 1.00 25.34 H new ATOM 0 HG2 GLU A 60 13.436 5.330 -5.210 1.00 3.23 H new ATOM 0 HG3 GLU A 60 14.162 4.483 -6.561 1.00 3.23 H new ATOM 1012 N TYR A 61 11.340 3.411 -3.036 1.00 5.31 N ATOM 1013 CA TYR A 61 11.352 4.008 -1.752 1.00 4.33 C ATOM 1014 C TYR A 61 11.239 2.941 -0.704 1.00 70.21 C ATOM 1015 O TYR A 61 12.132 2.745 0.092 1.00 50.32 O ATOM 1016 CB TYR A 61 10.217 5.034 -1.671 1.00 43.41 C ATOM 1017 CG TYR A 61 10.073 5.737 -0.355 1.00 35.35 C ATOM 1018 CD1 TYR A 61 11.164 6.316 0.268 1.00 42.32 C ATOM 1019 CD2 TYR A 61 8.840 5.817 0.263 1.00 74.11 C ATOM 1020 CE1 TYR A 61 11.035 6.961 1.475 1.00 43.50 C ATOM 1021 CE2 TYR A 61 8.691 6.462 1.472 1.00 1.35 C ATOM 1022 CZ TYR A 61 9.799 7.036 2.078 1.00 13.04 C ATOM 1023 OH TYR A 61 9.669 7.685 3.288 1.00 54.20 O ATOM 0 H TYR A 61 10.445 3.006 -3.310 1.00 5.31 H new ATOM 0 HA TYR A 61 12.290 4.535 -1.576 1.00 4.33 H new ATOM 0 HB2 TYR A 61 10.372 5.783 -2.448 1.00 43.41 H new ATOM 0 HB3 TYR A 61 9.278 4.529 -1.898 1.00 43.41 H new ATOM 0 HD1 TYR A 61 12.135 6.260 -0.202 1.00 42.32 H new ATOM 0 HD2 TYR A 61 7.979 5.367 -0.209 1.00 74.11 H new ATOM 0 HE1 TYR A 61 11.898 7.406 1.948 1.00 43.50 H new ATOM 0 HE2 TYR A 61 7.721 6.520 1.943 1.00 1.35 H new ATOM 0 HH TYR A 61 8.734 7.651 3.579 1.00 54.20 H new ATOM 1033 N LEU A 62 10.181 2.214 -0.762 1.00 11.11 N ATOM 1034 CA LEU A 62 9.902 1.168 0.188 1.00 3.42 C ATOM 1035 C LEU A 62 10.845 0.011 0.081 1.00 73.21 C ATOM 1036 O LEU A 62 11.157 -0.617 1.069 1.00 61.04 O ATOM 1037 CB LEU A 62 8.467 0.670 0.079 1.00 72.31 C ATOM 1038 CG LEU A 62 7.361 1.570 0.625 1.00 12.32 C ATOM 1039 CD1 LEU A 62 7.601 1.897 2.090 1.00 70.12 C ATOM 1040 CD2 LEU A 62 7.220 2.820 -0.202 1.00 31.34 C ATOM 0 H LEU A 62 9.464 2.322 -1.480 1.00 11.11 H new ATOM 0 HA LEU A 62 10.046 1.624 1.167 1.00 3.42 H new ATOM 0 HB2 LEU A 62 8.257 0.481 -0.974 1.00 72.31 H new ATOM 0 HB3 LEU A 62 8.404 -0.289 0.594 1.00 72.31 H new ATOM 0 HG LEU A 62 6.419 1.025 0.557 1.00 12.32 H new ATOM 0 HD11 LEU A 62 6.800 2.539 2.455 1.00 70.12 H new ATOM 0 HD12 LEU A 62 7.620 0.975 2.670 1.00 70.12 H new ATOM 0 HD13 LEU A 62 8.556 2.412 2.196 1.00 70.12 H new ATOM 0 HD21 LEU A 62 6.425 3.441 0.210 1.00 31.34 H new ATOM 0 HD22 LEU A 62 8.159 3.374 -0.187 1.00 31.34 H new ATOM 0 HD23 LEU A 62 6.974 2.551 -1.229 1.00 31.34 H new ATOM 1052 N GLU A 63 11.362 -0.248 -1.076 1.00 72.32 N ATOM 1053 CA GLU A 63 12.168 -1.430 -1.196 1.00 43.21 C ATOM 1054 C GLU A 63 13.609 -1.116 -1.049 1.00 71.15 C ATOM 1055 O GLU A 63 14.424 -1.961 -0.693 1.00 33.12 O ATOM 1056 CB GLU A 63 11.825 -2.323 -2.386 1.00 4.43 C ATOM 1057 CG GLU A 63 10.413 -2.897 -2.299 1.00 32.23 C ATOM 1058 CD GLU A 63 10.122 -3.914 -3.359 1.00 52.11 C ATOM 1059 OE1 GLU A 63 9.888 -3.531 -4.521 1.00 3.11 O ATOM 1060 OE2 GLU A 63 10.114 -5.119 -3.044 1.00 12.14 O ATOM 0 H GLU A 63 11.252 0.312 -1.921 1.00 72.32 H new ATOM 0 HA GLU A 63 11.905 -2.067 -0.352 1.00 43.21 H new ATOM 0 HB2 GLU A 63 11.924 -1.749 -3.307 1.00 4.43 H new ATOM 0 HB3 GLU A 63 12.543 -3.141 -2.441 1.00 4.43 H new ATOM 0 HG2 GLU A 63 10.273 -3.353 -1.319 1.00 32.23 H new ATOM 0 HG3 GLU A 63 9.692 -2.083 -2.378 1.00 32.23 H new ATOM 1067 N LYS A 64 13.935 0.096 -1.307 1.00 33.55 N ATOM 1068 CA LYS A 64 15.287 0.504 -1.194 1.00 22.12 C ATOM 1069 C LYS A 64 15.556 0.973 0.222 1.00 44.50 C ATOM 1070 O LYS A 64 16.642 0.777 0.752 1.00 4.24 O ATOM 1071 CB LYS A 64 15.619 1.582 -2.221 1.00 21.35 C ATOM 1072 CG LYS A 64 17.067 2.059 -2.212 1.00 41.53 C ATOM 1073 CD LYS A 64 17.291 3.190 -3.215 1.00 3.43 C ATOM 1074 CE LYS A 64 16.959 2.760 -4.638 1.00 21.13 C ATOM 1075 NZ LYS A 64 17.194 3.839 -5.617 1.00 45.22 N ATOM 0 H LYS A 64 13.284 0.825 -1.598 1.00 33.55 H new ATOM 0 HA LYS A 64 15.938 -0.344 -1.405 1.00 22.12 H new ATOM 0 HB2 LYS A 64 15.385 1.200 -3.215 1.00 21.35 H new ATOM 0 HB3 LYS A 64 14.969 2.440 -2.048 1.00 21.35 H new ATOM 0 HG2 LYS A 64 17.332 2.401 -1.212 1.00 41.53 H new ATOM 0 HG3 LYS A 64 17.727 1.225 -2.449 1.00 41.53 H new ATOM 0 HD2 LYS A 64 16.674 4.046 -2.941 1.00 3.43 H new ATOM 0 HD3 LYS A 64 18.330 3.517 -3.167 1.00 3.43 H new ATOM 0 HE2 LYS A 64 17.564 1.893 -4.904 1.00 21.13 H new ATOM 0 HE3 LYS A 64 15.916 2.448 -4.687 1.00 21.13 H new ATOM 0 HZ1 LYS A 64 16.955 3.501 -6.571 1.00 45.22 H new ATOM 0 HZ2 LYS A 64 16.598 4.658 -5.381 1.00 45.22 H new ATOM 0 HZ3 LYS A 64 18.195 4.120 -5.591 1.00 45.22 H new ATOM 1089 N ALA A 65 14.555 1.552 0.846 1.00 34.04 N ATOM 1090 CA ALA A 65 14.745 2.060 2.196 1.00 72.32 C ATOM 1091 C ALA A 65 14.265 1.075 3.245 1.00 40.25 C ATOM 1092 O ALA A 65 14.939 0.857 4.252 1.00 43.15 O ATOM 1093 CB ALA A 65 14.089 3.422 2.383 1.00 74.42 C ATOM 0 H ALA A 65 13.621 1.684 0.457 1.00 34.04 H new ATOM 0 HA ALA A 65 15.819 2.188 2.335 1.00 72.32 H new ATOM 0 HB1 ALA A 65 14.253 3.768 3.404 1.00 74.42 H new ATOM 0 HB2 ALA A 65 14.526 4.135 1.684 1.00 74.42 H new ATOM 0 HB3 ALA A 65 13.018 3.339 2.196 1.00 74.42 H new ATOM 1099 N LEU A 66 13.117 0.467 3.018 1.00 74.34 N ATOM 1100 CA LEU A 66 12.557 -0.463 4.011 1.00 34.33 C ATOM 1101 C LEU A 66 13.011 -1.876 3.794 1.00 73.44 C ATOM 1102 O LEU A 66 13.326 -2.583 4.759 1.00 11.21 O ATOM 1103 CB LEU A 66 11.016 -0.404 4.109 1.00 64.24 C ATOM 1104 CG LEU A 66 10.381 0.834 4.806 1.00 11.35 C ATOM 1105 CD1 LEU A 66 10.818 0.919 6.261 1.00 33.54 C ATOM 1106 CD2 LEU A 66 10.706 2.136 4.080 1.00 1.52 C ATOM 0 H LEU A 66 12.554 0.588 2.176 1.00 74.34 H new ATOM 0 HA LEU A 66 12.954 -0.120 4.966 1.00 34.33 H new ATOM 0 HB2 LEU A 66 10.613 -0.462 3.098 1.00 64.24 H new ATOM 0 HB3 LEU A 66 10.679 -1.296 4.638 1.00 64.24 H new ATOM 0 HG LEU A 66 9.300 0.699 4.767 1.00 11.35 H new ATOM 0 HD11 LEU A 66 10.362 1.792 6.728 1.00 33.54 H new ATOM 0 HD12 LEU A 66 10.503 0.019 6.789 1.00 33.54 H new ATOM 0 HD13 LEU A 66 11.903 1.007 6.310 1.00 33.54 H new ATOM 0 HD21 LEU A 66 10.241 2.971 4.604 1.00 1.52 H new ATOM 0 HD22 LEU A 66 11.786 2.279 4.056 1.00 1.52 H new ATOM 0 HD23 LEU A 66 10.323 2.089 3.060 1.00 1.52 H new ATOM 1118 N ASN A 67 13.082 -2.301 2.543 1.00 23.33 N ATOM 1119 CA ASN A 67 13.460 -3.671 2.283 1.00 71.32 C ATOM 1120 C ASN A 67 14.950 -3.760 2.448 1.00 51.54 C ATOM 1121 O ASN A 67 15.460 -4.662 3.112 1.00 64.10 O ATOM 1122 CB ASN A 67 13.035 -4.108 0.895 1.00 73.34 C ATOM 1123 CG ASN A 67 13.116 -5.593 0.712 1.00 50.23 C ATOM 1124 OD1 ASN A 67 14.144 -6.144 0.295 1.00 12.43 O ATOM 1125 ND2 ASN A 67 12.031 -6.250 1.020 1.00 74.44 N ATOM 0 H ASN A 67 12.889 -1.734 1.718 1.00 23.33 H new ATOM 0 HA ASN A 67 12.958 -4.341 2.981 1.00 71.32 H new ATOM 0 HB2 ASN A 67 12.013 -3.777 0.710 1.00 73.34 H new ATOM 0 HB3 ASN A 67 13.667 -3.619 0.154 1.00 73.34 H new ATOM 0 HD21 ASN A 67 12.004 -7.265 0.921 1.00 74.44 H new ATOM 0 HD22 ASN A 67 11.210 -5.749 1.360 1.00 74.44 H new ATOM 1132 N LYS A 68 15.624 -2.783 1.842 1.00 40.13 N ATOM 1133 CA LYS A 68 17.048 -2.532 1.993 1.00 32.01 C ATOM 1134 C LYS A 68 17.876 -3.766 1.624 1.00 21.31 C ATOM 1135 O LYS A 68 18.251 -4.554 2.518 1.00 37.99 O ATOM 1136 CB LYS A 68 17.324 -2.063 3.430 1.00 32.14 C ATOM 1137 CG LYS A 68 18.707 -1.516 3.688 1.00 63.23 C ATOM 1138 CD LYS A 68 18.856 -1.138 5.150 1.00 11.41 C ATOM 1139 CE LYS A 68 20.129 -0.355 5.399 1.00 51.04 C ATOM 1140 NZ LYS A 68 20.110 0.941 4.691 1.00 12.34 N ATOM 1141 OXT LYS A 68 18.123 -3.964 0.412 1.00 37.99 O ATOM 0 H LYS A 68 15.172 -2.123 1.210 1.00 40.13 H new ATOM 0 HA LYS A 68 17.351 -1.745 1.303 1.00 32.01 H new ATOM 0 HB2 LYS A 68 16.596 -1.294 3.687 1.00 32.14 H new ATOM 0 HB3 LYS A 68 17.154 -2.902 4.105 1.00 32.14 H new ATOM 0 HG2 LYS A 68 19.457 -2.260 3.419 1.00 63.23 H new ATOM 0 HG3 LYS A 68 18.884 -0.643 3.059 1.00 63.23 H new ATOM 0 HD2 LYS A 68 17.997 -0.544 5.462 1.00 11.41 H new ATOM 0 HD3 LYS A 68 18.858 -2.041 5.761 1.00 11.41 H new ATOM 0 HE2 LYS A 68 20.251 -0.185 6.469 1.00 51.04 H new ATOM 0 HE3 LYS A 68 20.988 -0.939 5.069 1.00 51.04 H new ATOM 0 HZ1 LYS A 68 20.775 1.596 5.149 1.00 12.34 H new ATOM 0 HZ2 LYS A 68 20.390 0.799 3.700 1.00 12.34 H new ATOM 0 HZ3 LYS A 68 19.151 1.341 4.726 1.00 12.34 H new TER 1155 LYS A 68