USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 0.69 K(o=2,f=-4.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -81:sc= 1.31 USER MOD Set 2.1: A 31 HIS : no HE2:sc= -0.12 K(o=-0.011,f=-0.79) USER MOD Set 2.2: A 61 SER OG : rot -28:sc= 0.11 USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.652 K(o=1.3,f=-0.0033) USER MOD Set 4.2: A 28 SER OG : rot -137:sc= 0.686 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00741 USER MOD Single : A 13 HIS : no HD1:sc= -0.0292 K(o=-0.029,f=-0.58) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0711) USER MOD Single : A 21 ASN : amide:sc= -0.0958 K(o=-0.096,f=-5.5!) USER MOD Single : A 24 ASN : amide:sc= -0.577 K(o=-0.58,f=-2.8!) USER MOD Single : A 26 TYR OH : rot -60:sc= 0.116 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0.125 (180deg=0.088) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.201 K(o=0.2,f=-0.76) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 55 SER OG : rot 66:sc= 0.598 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.218 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 97:sc= 0.0303 USER MOD Single : A 83 ASN : amide:sc= 0.127 K(o=0.13,f=-3.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.766 K(o=-0.77,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0228) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 3.269 -5.953 -2.442 1.00 12.00 N ATOM 40 CA GLN A 2 3.583 -6.583 -3.714 1.00 23.24 C ATOM 41 C GLN A 2 4.234 -7.942 -3.443 1.00 75.21 C ATOM 42 O GLN A 2 5.414 -8.145 -3.728 1.00 51.54 O ATOM 43 CB GLN A 2 4.461 -5.633 -4.545 1.00 11.10 C ATOM 44 CG GLN A 2 4.573 -6.101 -6.001 1.00 23.54 C ATOM 45 CD GLN A 2 5.369 -5.118 -6.857 1.00 15.33 C ATOM 46 OE1 GLN A 2 6.530 -4.838 -6.567 1.00 14.35 O ATOM 47 NE2 GLN A 2 4.749 -4.594 -7.918 1.00 42.32 N ATOM 0 HA GLN A 2 2.685 -6.771 -4.303 1.00 23.24 H new ATOM 0 HB2 GLN A 2 4.040 -4.628 -4.516 1.00 11.10 H new ATOM 0 HB3 GLN A 2 5.456 -5.575 -4.103 1.00 11.10 H new ATOM 0 HG2 GLN A 2 5.052 -7.079 -6.032 1.00 23.54 H new ATOM 0 HG3 GLN A 2 3.574 -6.222 -6.421 1.00 23.54 H new ATOM 0 HE21 GLN A 2 3.784 -4.853 -8.124 1.00 42.32 H new ATOM 0 HE22 GLN A 2 5.241 -3.935 -8.522 1.00 42.32 H new ATOM 56 N ARG A 3 3.454 -8.871 -2.875 1.00 3.44 N ATOM 57 CA ARG A 3 3.913 -10.217 -2.579 1.00 3.40 C ATOM 58 C ARG A 3 3.993 -10.995 -3.891 1.00 13.23 C ATOM 59 O ARG A 3 2.972 -11.241 -4.533 1.00 11.44 O ATOM 60 CB ARG A 3 2.975 -10.903 -1.578 1.00 61.14 C ATOM 61 CG ARG A 3 3.667 -12.115 -0.944 1.00 52.04 C ATOM 62 CD ARG A 3 2.700 -12.942 -0.089 1.00 5.02 C ATOM 63 NE ARG A 3 2.132 -12.180 1.030 1.00 11.44 N ATOM 64 CZ ARG A 3 2.781 -11.895 2.172 1.00 21.20 C ATOM 65 NH1 ARG A 3 4.058 -12.265 2.351 1.00 41.02 N ATOM 66 NH2 ARG A 3 2.147 -11.239 3.153 1.00 51.33 N ATOM 0 H ARG A 3 2.484 -8.700 -2.610 1.00 3.44 H new ATOM 0 HA ARG A 3 4.900 -10.183 -2.117 1.00 3.40 H new ATOM 0 HB2 ARG A 3 2.681 -10.196 -0.802 1.00 61.14 H new ATOM 0 HB3 ARG A 3 2.062 -11.220 -2.083 1.00 61.14 H new ATOM 0 HG2 ARG A 3 4.088 -12.744 -1.728 1.00 52.04 H new ATOM 0 HG3 ARG A 3 4.499 -11.776 -0.327 1.00 52.04 H new ATOM 0 HD2 ARG A 3 1.890 -13.311 -0.719 1.00 5.02 H new ATOM 0 HD3 ARG A 3 3.223 -13.815 0.301 1.00 5.02 H new ATOM 0 HE ARG A 3 1.174 -11.842 0.934 1.00 11.44 H new ATOM 0 HH11 ARG A 3 4.551 -12.770 1.614 1.00 41.02 H new ATOM 0 HH12 ARG A 3 4.536 -12.041 3.224 1.00 41.02 H new ATOM 0 HH21 ARG A 3 1.174 -10.957 3.032 1.00 51.33 H new ATOM 0 HH22 ARG A 3 2.637 -11.021 4.021 1.00 51.33 H new ATOM 80 N THR A 4 5.213 -11.358 -4.295 1.00 2.24 N ATOM 81 CA THR A 4 5.470 -12.088 -5.525 1.00 13.04 C ATOM 82 C THR A 4 5.074 -13.562 -5.365 1.00 1.11 C ATOM 83 O THR A 4 5.087 -14.077 -4.247 1.00 43.51 O ATOM 84 CB THR A 4 6.959 -11.953 -5.882 1.00 20.23 C ATOM 85 OG1 THR A 4 7.760 -12.338 -4.782 1.00 13.35 O ATOM 86 CG2 THR A 4 7.297 -10.512 -6.279 1.00 64.51 C ATOM 0 H THR A 4 6.058 -11.147 -3.764 1.00 2.24 H new ATOM 0 HA THR A 4 4.869 -11.671 -6.333 1.00 13.04 H new ATOM 0 HB THR A 4 7.164 -12.608 -6.729 1.00 20.23 H new ATOM 0 HG1 THR A 4 8.707 -12.250 -5.020 1.00 13.35 H new ATOM 0 HG21 THR A 4 8.356 -10.442 -6.527 1.00 64.51 H new ATOM 0 HG22 THR A 4 6.701 -10.224 -7.145 1.00 64.51 H new ATOM 0 HG23 THR A 4 7.074 -9.844 -5.447 1.00 64.51 H new ATOM 94 N PRO A 5 4.742 -14.256 -6.468 1.00 71.14 N ATOM 95 CA PRO A 5 4.478 -15.687 -6.478 1.00 51.43 C ATOM 96 C PRO A 5 5.708 -16.460 -5.997 1.00 22.24 C ATOM 97 O PRO A 5 6.730 -16.483 -6.684 1.00 72.31 O ATOM 98 CB PRO A 5 4.137 -16.040 -7.931 1.00 22.33 C ATOM 99 CG PRO A 5 4.738 -14.903 -8.750 1.00 12.34 C ATOM 100 CD PRO A 5 4.616 -13.711 -7.809 1.00 34.12 C ATOM 0 HA PRO A 5 3.661 -15.953 -5.807 1.00 51.43 H new ATOM 0 HB2 PRO A 5 4.562 -17.002 -8.216 1.00 22.33 H new ATOM 0 HB3 PRO A 5 3.060 -16.110 -8.080 1.00 22.33 H new ATOM 0 HG2 PRO A 5 5.775 -15.102 -9.019 1.00 12.34 H new ATOM 0 HG3 PRO A 5 4.193 -14.742 -9.680 1.00 12.34 H new ATOM 0 HD2 PRO A 5 5.394 -12.974 -8.007 1.00 34.12 H new ATOM 0 HD3 PRO A 5 3.659 -13.206 -7.938 1.00 34.12 H new ATOM 108 N LYS A 6 5.603 -17.096 -4.823 1.00 12.10 N ATOM 109 CA LYS A 6 6.645 -17.961 -4.295 1.00 61.33 C ATOM 110 C LYS A 6 6.516 -19.334 -4.950 1.00 51.01 C ATOM 111 O LYS A 6 5.560 -20.065 -4.695 1.00 12.43 O ATOM 112 CB LYS A 6 6.570 -18.039 -2.765 1.00 31.21 C ATOM 113 CG LYS A 6 7.580 -19.067 -2.234 1.00 11.02 C ATOM 114 CD LYS A 6 7.726 -18.978 -0.714 1.00 33.15 C ATOM 115 CE LYS A 6 8.800 -19.960 -0.233 1.00 13.50 C ATOM 116 NZ LYS A 6 9.081 -19.785 1.201 1.00 64.22 N ATOM 0 H LYS A 6 4.786 -17.019 -4.217 1.00 12.10 H new ATOM 0 HA LYS A 6 7.627 -17.551 -4.532 1.00 61.33 H new ATOM 0 HB2 LYS A 6 6.777 -17.060 -2.334 1.00 31.21 H new ATOM 0 HB3 LYS A 6 5.562 -18.317 -2.457 1.00 31.21 H new ATOM 0 HG2 LYS A 6 7.258 -20.071 -2.511 1.00 11.02 H new ATOM 0 HG3 LYS A 6 8.550 -18.902 -2.704 1.00 11.02 H new ATOM 0 HD2 LYS A 6 7.995 -17.962 -0.425 1.00 33.15 H new ATOM 0 HD3 LYS A 6 6.773 -19.204 -0.235 1.00 33.15 H new ATOM 0 HE2 LYS A 6 8.471 -20.982 -0.419 1.00 13.50 H new ATOM 0 HE3 LYS A 6 9.715 -19.811 -0.806 1.00 13.50 H new ATOM 0 HZ1 LYS A 6 9.812 -20.463 1.497 1.00 64.22 H new ATOM 0 HZ2 LYS A 6 9.418 -18.816 1.373 1.00 64.22 H new ATOM 0 HZ3 LYS A 6 8.212 -19.952 1.748 1.00 64.22 H new ATOM 130 N ILE A 7 7.503 -19.665 -5.787 1.00 3.40 N ATOM 131 CA ILE A 7 7.600 -20.927 -6.500 1.00 11.02 C ATOM 132 C ILE A 7 7.951 -22.048 -5.518 1.00 5.31 C ATOM 133 O ILE A 7 8.817 -21.875 -4.661 1.00 1.34 O ATOM 134 CB ILE A 7 8.637 -20.807 -7.636 1.00 31.55 C ATOM 135 CG1 ILE A 7 10.067 -20.601 -7.092 1.00 23.21 C ATOM 136 CG2 ILE A 7 8.212 -19.685 -8.598 1.00 55.45 C ATOM 137 CD1 ILE A 7 11.128 -20.494 -8.184 1.00 2.21 C ATOM 0 H ILE A 7 8.280 -19.035 -5.989 1.00 3.40 H new ATOM 0 HA ILE A 7 6.641 -21.173 -6.955 1.00 11.02 H new ATOM 0 HB ILE A 7 8.664 -21.746 -8.190 1.00 31.55 H new ATOM 0 HG12 ILE A 7 10.089 -19.695 -6.486 1.00 23.21 H new ATOM 0 HG13 ILE A 7 10.319 -21.432 -6.433 1.00 23.21 H new ATOM 0 HG21 ILE A 7 8.943 -19.598 -9.402 1.00 55.45 H new ATOM 0 HG22 ILE A 7 7.235 -19.919 -9.020 1.00 55.45 H new ATOM 0 HG23 ILE A 7 8.156 -18.742 -8.055 1.00 55.45 H new ATOM 0 HD11 ILE A 7 12.107 -20.350 -7.727 1.00 2.21 H new ATOM 0 HD12 ILE A 7 11.135 -21.409 -8.776 1.00 2.21 H new ATOM 0 HD13 ILE A 7 10.901 -19.646 -8.830 1.00 2.21 H new ATOM 149 N GLN A 8 7.267 -23.190 -5.642 1.00 41.04 N ATOM 150 CA GLN A 8 7.539 -24.405 -4.886 1.00 34.41 C ATOM 151 C GLN A 8 7.176 -25.576 -5.806 1.00 53.25 C ATOM 152 O GLN A 8 6.107 -26.166 -5.666 1.00 2.33 O ATOM 153 CB GLN A 8 6.736 -24.425 -3.571 1.00 12.13 C ATOM 154 CG GLN A 8 7.066 -23.268 -2.616 1.00 75.34 C ATOM 155 CD GLN A 8 6.172 -23.249 -1.378 1.00 31.13 C ATOM 156 OE1 GLN A 8 5.508 -22.250 -1.106 1.00 31.15 O ATOM 157 NE2 GLN A 8 6.153 -24.342 -0.614 1.00 42.21 N ATOM 0 H GLN A 8 6.487 -23.292 -6.292 1.00 41.04 H new ATOM 0 HA GLN A 8 8.586 -24.468 -4.591 1.00 34.41 H new ATOM 0 HB2 GLN A 8 5.672 -24.395 -3.807 1.00 12.13 H new ATOM 0 HB3 GLN A 8 6.922 -25.369 -3.059 1.00 12.13 H new ATOM 0 HG2 GLN A 8 8.108 -23.346 -2.305 1.00 75.34 H new ATOM 0 HG3 GLN A 8 6.962 -22.323 -3.148 1.00 75.34 H new ATOM 0 HE21 GLN A 8 6.716 -25.153 -0.870 1.00 42.21 H new ATOM 0 HE22 GLN A 8 5.575 -24.367 0.226 1.00 42.21 H new ATOM 166 N VAL A 9 8.048 -25.864 -6.783 1.00 24.41 N ATOM 167 CA VAL A 9 7.770 -26.777 -7.887 1.00 65.14 C ATOM 168 C VAL A 9 8.380 -28.150 -7.608 1.00 25.21 C ATOM 169 O VAL A 9 9.510 -28.430 -8.005 1.00 34.13 O ATOM 170 CB VAL A 9 8.295 -26.185 -9.204 1.00 74.24 C ATOM 171 CG1 VAL A 9 7.833 -27.012 -10.412 1.00 64.41 C ATOM 172 CG2 VAL A 9 7.829 -24.738 -9.403 1.00 44.14 C ATOM 0 H VAL A 9 8.983 -25.458 -6.823 1.00 24.41 H new ATOM 0 HA VAL A 9 6.692 -26.907 -7.982 1.00 65.14 H new ATOM 0 HB VAL A 9 9.383 -26.208 -9.136 1.00 74.24 H new ATOM 0 HG11 VAL A 9 8.221 -26.567 -11.328 1.00 64.41 H new ATOM 0 HG12 VAL A 9 8.205 -28.032 -10.318 1.00 64.41 H new ATOM 0 HG13 VAL A 9 6.744 -27.025 -10.449 1.00 64.41 H new ATOM 0 HG21 VAL A 9 8.221 -24.356 -10.345 1.00 44.14 H new ATOM 0 HG22 VAL A 9 6.740 -24.706 -9.424 1.00 44.14 H new ATOM 0 HG23 VAL A 9 8.194 -24.122 -8.581 1.00 44.14 H new ATOM 182 N TYR A 10 7.613 -28.998 -6.920 1.00 41.13 N ATOM 183 CA TYR A 10 8.017 -30.345 -6.525 1.00 22.33 C ATOM 184 C TYR A 10 7.170 -31.386 -7.260 1.00 41.55 C ATOM 185 O TYR A 10 6.098 -31.060 -7.760 1.00 11.50 O ATOM 186 CB TYR A 10 7.894 -30.502 -5.002 1.00 11.15 C ATOM 187 CG TYR A 10 6.500 -30.351 -4.423 1.00 2.11 C ATOM 188 CD1 TYR A 10 6.023 -29.080 -4.052 1.00 74.42 C ATOM 189 CD2 TYR A 10 5.730 -31.493 -4.136 1.00 14.14 C ATOM 190 CE1 TYR A 10 4.754 -28.944 -3.466 1.00 43.22 C ATOM 191 CE2 TYR A 10 4.473 -31.361 -3.520 1.00 14.10 C ATOM 192 CZ TYR A 10 3.973 -30.085 -3.210 1.00 71.12 C ATOM 193 OH TYR A 10 2.726 -29.956 -2.667 1.00 75.14 O ATOM 0 H TYR A 10 6.669 -28.759 -6.615 1.00 41.13 H new ATOM 0 HA TYR A 10 9.059 -30.505 -6.801 1.00 22.33 H new ATOM 0 HB2 TYR A 10 8.274 -31.486 -4.727 1.00 11.15 H new ATOM 0 HB3 TYR A 10 8.543 -29.766 -4.528 1.00 11.15 H new ATOM 0 HD1 TYR A 10 6.635 -28.206 -4.219 1.00 74.42 H new ATOM 0 HD2 TYR A 10 6.105 -32.473 -4.389 1.00 14.14 H new ATOM 0 HE1 TYR A 10 4.378 -27.964 -3.212 1.00 43.22 H new ATOM 0 HE2 TYR A 10 3.892 -32.240 -3.285 1.00 14.10 H new ATOM 0 HH TYR A 10 2.324 -30.843 -2.557 1.00 75.14 H new ATOM 203 N SER A 11 7.635 -32.638 -7.305 1.00 13.50 N ATOM 204 CA SER A 11 6.875 -33.763 -7.830 1.00 53.03 C ATOM 205 C SER A 11 6.179 -34.509 -6.697 1.00 34.13 C ATOM 206 O SER A 11 6.747 -34.687 -5.620 1.00 61.24 O ATOM 207 CB SER A 11 7.797 -34.715 -8.590 1.00 25.42 C ATOM 208 OG SER A 11 8.991 -34.960 -7.877 1.00 1.03 O ATOM 0 H SER A 11 8.564 -32.896 -6.972 1.00 13.50 H new ATOM 0 HA SER A 11 6.119 -33.379 -8.515 1.00 53.03 H new ATOM 0 HB2 SER A 11 7.280 -35.657 -8.770 1.00 25.42 H new ATOM 0 HB3 SER A 11 8.035 -34.291 -9.565 1.00 25.42 H new ATOM 0 HG SER A 11 9.558 -35.574 -8.389 1.00 1.03 H new ATOM 214 N ARG A 12 4.957 -34.974 -6.965 1.00 51.33 N ATOM 215 CA ARG A 12 4.182 -35.791 -6.047 1.00 54.02 C ATOM 216 C ARG A 12 4.852 -37.158 -5.898 1.00 34.25 C ATOM 217 O ARG A 12 5.163 -37.580 -4.786 1.00 1.51 O ATOM 218 CB ARG A 12 2.750 -35.933 -6.585 1.00 23.30 C ATOM 219 CG ARG A 12 1.809 -36.666 -5.622 1.00 11.21 C ATOM 220 CD ARG A 12 1.525 -35.877 -4.342 1.00 72.21 C ATOM 221 NE ARG A 12 0.497 -36.553 -3.546 1.00 21.35 N ATOM 222 CZ ARG A 12 0.067 -36.152 -2.339 1.00 21.50 C ATOM 223 NH1 ARG A 12 0.574 -35.055 -1.757 1.00 32.41 N ATOM 224 NH2 ARG A 12 -0.881 -36.860 -1.710 1.00 74.15 N ATOM 0 H ARG A 12 4.475 -34.786 -7.844 1.00 51.33 H new ATOM 0 HA ARG A 12 4.138 -35.320 -5.065 1.00 54.02 H new ATOM 0 HB2 ARG A 12 2.347 -34.941 -6.791 1.00 23.30 H new ATOM 0 HB3 ARG A 12 2.777 -36.469 -7.534 1.00 23.30 H new ATOM 0 HG2 ARG A 12 0.867 -36.872 -6.131 1.00 11.21 H new ATOM 0 HG3 ARG A 12 2.247 -37.629 -5.358 1.00 11.21 H new ATOM 0 HD2 ARG A 12 2.440 -35.777 -3.758 1.00 72.21 H new ATOM 0 HD3 ARG A 12 1.196 -34.869 -4.594 1.00 72.21 H new ATOM 0 HE ARG A 12 0.075 -37.394 -3.940 1.00 21.35 H new ATOM 0 HH11 ARG A 12 1.296 -34.513 -2.232 1.00 32.41 H new ATOM 0 HH12 ARG A 12 0.237 -34.763 -0.840 1.00 32.41 H new ATOM 0 HH21 ARG A 12 -1.269 -37.695 -2.148 1.00 74.15 H new ATOM 0 HH22 ARG A 12 -1.214 -36.564 -0.793 1.00 74.15 H new ATOM 238 N HIS A 13 5.049 -37.844 -7.030 1.00 32.10 N ATOM 239 CA HIS A 13 5.591 -39.193 -7.111 1.00 11.30 C ATOM 240 C HIS A 13 7.094 -39.124 -7.411 1.00 4.31 C ATOM 241 O HIS A 13 7.568 -38.101 -7.904 1.00 53.11 O ATOM 242 CB HIS A 13 4.832 -39.943 -8.220 1.00 13.02 C ATOM 243 CG HIS A 13 3.338 -40.029 -8.009 1.00 3.31 C ATOM 244 ND1 HIS A 13 2.740 -39.847 -6.771 1.00 43.04 N ATOM 245 CD2 HIS A 13 2.299 -40.301 -8.868 1.00 40.23 C ATOM 246 CE1 HIS A 13 1.416 -40.007 -6.934 1.00 24.43 C ATOM 247 NE2 HIS A 13 1.083 -40.298 -8.191 1.00 11.40 N ATOM 0 H HIS A 13 4.825 -37.454 -7.946 1.00 32.10 H new ATOM 0 HA HIS A 13 5.466 -39.724 -6.167 1.00 11.30 H new ATOM 0 HB2 HIS A 13 5.024 -39.449 -9.172 1.00 13.02 H new ATOM 0 HB3 HIS A 13 5.234 -40.953 -8.299 1.00 13.02 H new ATOM 0 HD2 HIS A 13 2.411 -40.491 -9.925 1.00 40.23 H new ATOM 0 HE1 HIS A 13 0.699 -39.910 -6.132 1.00 24.43 H new ATOM 0 HE2 HIS A 13 0.153 -40.477 -8.569 1.00 11.40 H new ATOM 255 N PRO A 14 7.865 -40.189 -7.133 1.00 52.44 N ATOM 256 CA PRO A 14 9.274 -40.258 -7.493 1.00 74.13 C ATOM 257 C PRO A 14 9.427 -40.329 -9.017 1.00 60.43 C ATOM 258 O PRO A 14 8.597 -40.923 -9.706 1.00 12.04 O ATOM 259 CB PRO A 14 9.812 -41.512 -6.800 1.00 54.03 C ATOM 260 CG PRO A 14 8.581 -42.410 -6.708 1.00 53.54 C ATOM 261 CD PRO A 14 7.456 -41.408 -6.452 1.00 52.25 C ATOM 0 HA PRO A 14 9.831 -39.376 -7.176 1.00 74.13 H new ATOM 0 HB2 PRO A 14 10.610 -41.980 -7.376 1.00 54.03 H new ATOM 0 HB3 PRO A 14 10.220 -41.285 -5.815 1.00 54.03 H new ATOM 0 HG2 PRO A 14 8.421 -42.973 -7.627 1.00 53.54 H new ATOM 0 HG3 PRO A 14 8.669 -43.136 -5.900 1.00 53.54 H new ATOM 0 HD2 PRO A 14 6.506 -41.776 -6.840 1.00 52.25 H new ATOM 0 HD3 PRO A 14 7.319 -41.235 -5.385 1.00 52.25 H new ATOM 269 N ALA A 15 10.482 -39.688 -9.532 1.00 71.41 N ATOM 270 CA ALA A 15 10.726 -39.510 -10.956 1.00 64.43 C ATOM 271 C ALA A 15 11.541 -40.676 -11.515 1.00 43.33 C ATOM 272 O ALA A 15 12.711 -40.513 -11.858 1.00 60.32 O ATOM 273 CB ALA A 15 11.434 -38.168 -11.168 1.00 1.25 C ATOM 0 H ALA A 15 11.206 -39.269 -8.948 1.00 71.41 H new ATOM 0 HA ALA A 15 9.780 -39.500 -11.498 1.00 64.43 H new ATOM 0 HB1 ALA A 15 11.624 -38.021 -12.231 1.00 1.25 H new ATOM 0 HB2 ALA A 15 10.803 -37.361 -10.797 1.00 1.25 H new ATOM 0 HB3 ALA A 15 12.380 -38.166 -10.627 1.00 1.25 H new ATOM 279 N GLU A 16 10.908 -41.851 -11.623 1.00 44.31 N ATOM 280 CA GLU A 16 11.530 -43.048 -12.174 1.00 65.33 C ATOM 281 C GLU A 16 11.374 -43.074 -13.697 1.00 63.34 C ATOM 282 O GLU A 16 10.481 -42.429 -14.247 1.00 32.55 O ATOM 283 CB GLU A 16 10.924 -44.306 -11.536 1.00 3.02 C ATOM 284 CG GLU A 16 10.947 -44.270 -10.001 1.00 75.42 C ATOM 285 CD GLU A 16 12.358 -44.062 -9.455 1.00 44.12 C ATOM 286 OE1 GLU A 16 12.630 -42.934 -8.990 1.00 12.44 O ATOM 287 OE2 GLU A 16 13.142 -45.034 -9.522 1.00 5.44 O ATOM 0 H GLU A 16 9.942 -41.992 -11.326 1.00 44.31 H new ATOM 0 HA GLU A 16 12.595 -43.031 -11.942 1.00 65.33 H new ATOM 0 HB2 GLU A 16 9.895 -44.419 -11.876 1.00 3.02 H new ATOM 0 HB3 GLU A 16 11.472 -45.182 -11.882 1.00 3.02 H new ATOM 0 HG2 GLU A 16 10.299 -43.468 -9.647 1.00 75.42 H new ATOM 0 HG3 GLU A 16 10.541 -45.203 -9.610 1.00 75.42 H new ATOM 294 N ASN A 17 12.254 -43.827 -14.369 1.00 54.31 N ATOM 295 CA ASN A 17 12.271 -43.982 -15.817 1.00 74.23 C ATOM 296 C ASN A 17 10.978 -44.656 -16.284 1.00 34.15 C ATOM 297 O ASN A 17 10.784 -45.848 -16.048 1.00 45.21 O ATOM 298 CB ASN A 17 13.507 -44.803 -16.212 1.00 4.05 C ATOM 299 CG ASN A 17 13.576 -45.067 -17.716 1.00 42.21 C ATOM 300 OD1 ASN A 17 13.250 -46.161 -18.172 1.00 54.21 O ATOM 301 ND2 ASN A 17 14.011 -44.070 -18.490 1.00 20.15 N ATOM 0 H ASN A 17 12.990 -44.356 -13.902 1.00 54.31 H new ATOM 0 HA ASN A 17 12.328 -43.007 -16.302 1.00 74.23 H new ATOM 0 HB2 ASN A 17 14.407 -44.274 -15.897 1.00 4.05 H new ATOM 0 HB3 ASN A 17 13.493 -45.754 -15.679 1.00 4.05 H new ATOM 0 HD21 ASN A 17 14.082 -44.202 -19.499 1.00 20.15 H new ATOM 0 HD22 ASN A 17 14.272 -43.177 -18.072 1.00 20.15 H new ATOM 308 N GLY A 18 10.096 -43.887 -16.935 1.00 32.31 N ATOM 309 CA GLY A 18 8.807 -44.367 -17.405 1.00 53.02 C ATOM 310 C GLY A 18 7.882 -44.671 -16.228 1.00 21.45 C ATOM 311 O GLY A 18 7.599 -45.836 -15.952 1.00 3.40 O ATOM 0 H GLY A 18 10.267 -42.904 -17.148 1.00 32.31 H new ATOM 0 HA2 GLY A 18 8.348 -43.618 -18.051 1.00 53.02 H new ATOM 0 HA3 GLY A 18 8.945 -45.265 -18.007 1.00 53.02 H new ATOM 315 N LYS A 19 7.411 -43.622 -15.542 1.00 21.23 N ATOM 316 CA LYS A 19 6.509 -43.741 -14.405 1.00 20.24 C ATOM 317 C LYS A 19 5.775 -42.417 -14.208 1.00 0.41 C ATOM 318 O LYS A 19 6.371 -41.440 -13.760 1.00 32.45 O ATOM 319 CB LYS A 19 7.300 -44.107 -13.147 1.00 63.11 C ATOM 320 CG LYS A 19 6.385 -44.309 -11.934 1.00 51.53 C ATOM 321 CD LYS A 19 7.232 -44.615 -10.693 1.00 62.35 C ATOM 322 CE LYS A 19 6.372 -44.812 -9.442 1.00 2.25 C ATOM 323 NZ LYS A 19 5.689 -43.569 -9.048 1.00 4.00 N ATOM 0 H LYS A 19 7.653 -42.657 -15.769 1.00 21.23 H new ATOM 0 HA LYS A 19 5.781 -44.530 -14.594 1.00 20.24 H new ATOM 0 HB2 LYS A 19 7.869 -45.019 -13.328 1.00 63.11 H new ATOM 0 HB3 LYS A 19 8.022 -43.319 -12.930 1.00 63.11 H new ATOM 0 HG2 LYS A 19 5.786 -43.414 -11.765 1.00 51.53 H new ATOM 0 HG3 LYS A 19 5.690 -45.127 -12.123 1.00 51.53 H new ATOM 0 HD2 LYS A 19 7.823 -45.513 -10.871 1.00 62.35 H new ATOM 0 HD3 LYS A 19 7.935 -43.799 -10.524 1.00 62.35 H new ATOM 0 HE2 LYS A 19 5.632 -45.590 -9.628 1.00 2.25 H new ATOM 0 HE3 LYS A 19 6.999 -45.159 -8.621 1.00 2.25 H new ATOM 0 HZ1 LYS A 19 5.213 -43.709 -8.134 1.00 4.00 H new ATOM 0 HZ2 LYS A 19 6.386 -42.802 -8.961 1.00 4.00 H new ATOM 0 HZ3 LYS A 19 4.985 -43.316 -9.770 1.00 4.00 H new ATOM 337 N SER A 20 4.474 -42.419 -14.516 1.00 41.14 N ATOM 338 CA SER A 20 3.580 -41.268 -14.439 1.00 54.42 C ATOM 339 C SER A 20 3.672 -40.567 -13.083 1.00 52.21 C ATOM 340 O SER A 20 3.847 -41.217 -12.052 1.00 23.20 O ATOM 341 CB SER A 20 2.143 -41.700 -14.740 1.00 32.45 C ATOM 342 OG SER A 20 2.062 -42.235 -16.045 1.00 53.51 O ATOM 0 H SER A 20 3.998 -43.261 -14.839 1.00 41.14 H new ATOM 0 HA SER A 20 3.894 -40.545 -15.191 1.00 54.42 H new ATOM 0 HB2 SER A 20 1.818 -42.444 -14.012 1.00 32.45 H new ATOM 0 HB3 SER A 20 1.471 -40.847 -14.645 1.00 32.45 H new ATOM 0 HG SER A 20 1.140 -42.510 -16.229 1.00 53.51 H new ATOM 348 N ASN A 21 3.611 -39.230 -13.110 1.00 23.32 N ATOM 349 CA ASN A 21 4.000 -38.387 -11.995 1.00 72.32 C ATOM 350 C ASN A 21 3.260 -37.054 -12.086 1.00 1.23 C ATOM 351 O ASN A 21 3.347 -36.366 -13.101 1.00 2.04 O ATOM 352 CB ASN A 21 5.525 -38.200 -12.058 1.00 13.30 C ATOM 353 CG ASN A 21 6.131 -37.539 -10.824 1.00 4.32 C ATOM 354 OD1 ASN A 21 5.422 -37.062 -9.938 1.00 31.33 O ATOM 355 ND2 ASN A 21 7.465 -37.543 -10.760 1.00 64.41 N ATOM 0 H ASN A 21 3.285 -38.706 -13.922 1.00 23.32 H new ATOM 0 HA ASN A 21 3.737 -38.841 -11.040 1.00 72.32 H new ATOM 0 HB2 ASN A 21 5.993 -39.174 -12.200 1.00 13.30 H new ATOM 0 HB3 ASN A 21 5.769 -37.599 -12.934 1.00 13.30 H new ATOM 0 HD21 ASN A 21 7.938 -37.139 -9.952 1.00 64.41 H new ATOM 0 HD22 ASN A 21 8.011 -37.950 -11.519 1.00 64.41 H new ATOM 362 N PHE A 22 2.540 -36.688 -11.019 1.00 2.24 N ATOM 363 CA PHE A 22 1.860 -35.405 -10.919 1.00 33.25 C ATOM 364 C PHE A 22 2.851 -34.325 -10.494 1.00 4.20 C ATOM 365 O PHE A 22 3.567 -34.496 -9.509 1.00 4.23 O ATOM 366 CB PHE A 22 0.699 -35.486 -9.923 1.00 13.10 C ATOM 367 CG PHE A 22 -0.471 -36.331 -10.388 1.00 24.24 C ATOM 368 CD1 PHE A 22 -0.497 -37.711 -10.119 1.00 22.45 C ATOM 369 CD2 PHE A 22 -1.558 -35.729 -11.047 1.00 24.20 C ATOM 370 CE1 PHE A 22 -1.613 -38.483 -10.484 1.00 34.33 C ATOM 371 CE2 PHE A 22 -2.689 -36.493 -11.384 1.00 14.30 C ATOM 372 CZ PHE A 22 -2.714 -37.871 -11.110 1.00 3.34 C ATOM 0 H PHE A 22 2.416 -37.282 -10.199 1.00 2.24 H new ATOM 0 HA PHE A 22 1.452 -35.147 -11.897 1.00 33.25 H new ATOM 0 HB2 PHE A 22 1.072 -35.891 -8.982 1.00 13.10 H new ATOM 0 HB3 PHE A 22 0.343 -34.477 -9.717 1.00 13.10 H new ATOM 0 HD1 PHE A 22 0.344 -38.179 -9.630 1.00 22.45 H new ATOM 0 HD2 PHE A 22 -1.524 -34.678 -11.294 1.00 24.20 H new ATOM 0 HE1 PHE A 22 -1.625 -39.544 -10.284 1.00 34.33 H new ATOM 0 HE2 PHE A 22 -3.539 -36.021 -11.854 1.00 14.30 H new ATOM 0 HZ PHE A 22 -3.578 -38.460 -11.380 1.00 3.34 H new ATOM 382 N LEU A 23 2.864 -33.200 -11.218 1.00 72.24 N ATOM 383 CA LEU A 23 3.593 -32.004 -10.819 1.00 5.04 C ATOM 384 C LEU A 23 2.879 -31.376 -9.622 1.00 75.24 C ATOM 385 O LEU A 23 1.692 -31.619 -9.416 1.00 14.01 O ATOM 386 CB LEU A 23 3.641 -31.029 -12.011 1.00 65.23 C ATOM 387 CG LEU A 23 4.614 -29.847 -11.849 1.00 73.24 C ATOM 388 CD1 LEU A 23 6.080 -30.300 -11.853 1.00 31.20 C ATOM 389 CD2 LEU A 23 4.394 -28.860 -12.998 1.00 2.01 C ATOM 0 H LEU A 23 2.364 -33.099 -12.101 1.00 72.24 H new ATOM 0 HA LEU A 23 4.616 -32.247 -10.530 1.00 5.04 H new ATOM 0 HB2 LEU A 23 3.917 -31.587 -12.906 1.00 65.23 H new ATOM 0 HB3 LEU A 23 2.639 -30.634 -12.178 1.00 65.23 H new ATOM 0 HG LEU A 23 4.412 -29.378 -10.886 1.00 73.24 H new ATOM 0 HD11 LEU A 23 6.729 -29.432 -11.736 1.00 31.20 H new ATOM 0 HD12 LEU A 23 6.249 -30.993 -11.029 1.00 31.20 H new ATOM 0 HD13 LEU A 23 6.305 -30.797 -12.797 1.00 31.20 H new ATOM 0 HD21 LEU A 23 5.079 -28.019 -12.891 1.00 2.01 H new ATOM 0 HD22 LEU A 23 4.579 -29.361 -13.948 1.00 2.01 H new ATOM 0 HD23 LEU A 23 3.367 -28.496 -12.974 1.00 2.01 H new ATOM 401 N ASN A 24 3.587 -30.561 -8.836 1.00 63.44 N ATOM 402 CA ASN A 24 2.976 -29.693 -7.849 1.00 73.22 C ATOM 403 C ASN A 24 3.659 -28.336 -7.960 1.00 5.25 C ATOM 404 O ASN A 24 4.497 -27.999 -7.125 1.00 64.34 O ATOM 405 CB ASN A 24 3.133 -30.285 -6.444 1.00 24.31 C ATOM 406 CG ASN A 24 2.546 -31.688 -6.319 1.00 44.21 C ATOM 407 OD1 ASN A 24 3.286 -32.650 -6.144 1.00 53.51 O ATOM 408 ND2 ASN A 24 1.220 -31.811 -6.407 1.00 62.42 N ATOM 0 H ASN A 24 4.604 -30.491 -8.873 1.00 63.44 H new ATOM 0 HA ASN A 24 1.906 -29.589 -8.028 1.00 73.22 H new ATOM 0 HB2 ASN A 24 4.191 -30.316 -6.185 1.00 24.31 H new ATOM 0 HB3 ASN A 24 2.647 -29.628 -5.723 1.00 24.31 H new ATOM 0 HD21 ASN A 24 0.787 -32.731 -6.328 1.00 62.42 H new ATOM 0 HD22 ASN A 24 0.640 -30.985 -6.553 1.00 62.42 H new ATOM 415 N CYS A 25 3.293 -27.556 -8.988 1.00 23.21 N ATOM 416 CA CYS A 25 3.726 -26.170 -9.099 1.00 0.40 C ATOM 417 C CYS A 25 2.905 -25.343 -8.113 1.00 32.40 C ATOM 418 O CYS A 25 1.931 -24.705 -8.496 1.00 72.34 O ATOM 419 CB CYS A 25 3.618 -25.652 -10.540 1.00 14.21 C ATOM 420 SG CYS A 25 4.241 -23.956 -10.717 1.00 31.20 S ATOM 0 H CYS A 25 2.696 -27.870 -9.753 1.00 23.21 H new ATOM 0 HA CYS A 25 4.783 -26.085 -8.846 1.00 0.40 H new ATOM 0 HB2 CYS A 25 4.177 -26.312 -11.203 1.00 14.21 H new ATOM 0 HB3 CYS A 25 2.576 -25.688 -10.859 1.00 14.21 H new ATOM 425 N TYR A 26 3.289 -25.397 -6.834 1.00 54.01 N ATOM 426 CA TYR A 26 2.567 -24.807 -5.721 1.00 31.23 C ATOM 427 C TYR A 26 2.962 -23.333 -5.625 1.00 72.13 C ATOM 428 O TYR A 26 4.005 -23.008 -5.061 1.00 20.30 O ATOM 429 CB TYR A 26 2.884 -25.642 -4.468 1.00 4.04 C ATOM 430 CG TYR A 26 2.175 -25.247 -3.185 1.00 24.51 C ATOM 431 CD1 TYR A 26 1.099 -26.021 -2.708 1.00 52.31 C ATOM 432 CD2 TYR A 26 2.718 -24.240 -2.365 1.00 73.41 C ATOM 433 CE1 TYR A 26 0.536 -25.752 -1.448 1.00 22.33 C ATOM 434 CE2 TYR A 26 2.150 -23.963 -1.110 1.00 11.00 C ATOM 435 CZ TYR A 26 1.050 -24.709 -0.656 1.00 55.53 C ATOM 436 OH TYR A 26 0.491 -24.424 0.558 1.00 12.43 O ATOM 0 H TYR A 26 4.143 -25.872 -6.543 1.00 54.01 H new ATOM 0 HA TYR A 26 1.484 -24.824 -5.845 1.00 31.23 H new ATOM 0 HB2 TYR A 26 2.642 -26.683 -4.683 1.00 4.04 H new ATOM 0 HB3 TYR A 26 3.958 -25.594 -4.291 1.00 4.04 H new ATOM 0 HD1 TYR A 26 0.705 -26.824 -3.313 1.00 52.31 H new ATOM 0 HD2 TYR A 26 3.576 -23.677 -2.702 1.00 73.41 H new ATOM 0 HE1 TYR A 26 -0.291 -26.346 -1.088 1.00 22.33 H new ATOM 0 HE2 TYR A 26 2.560 -23.176 -0.494 1.00 11.00 H new ATOM 0 HH TYR A 26 -0.449 -24.174 0.435 1.00 12.43 H new ATOM 446 N VAL A 27 2.156 -22.446 -6.226 1.00 33.14 N ATOM 447 CA VAL A 27 2.487 -21.032 -6.335 1.00 34.24 C ATOM 448 C VAL A 27 1.747 -20.281 -5.234 1.00 34.12 C ATOM 449 O VAL A 27 0.536 -20.091 -5.330 1.00 2.42 O ATOM 450 CB VAL A 27 2.133 -20.488 -7.730 1.00 33.32 C ATOM 451 CG1 VAL A 27 2.660 -19.055 -7.833 1.00 42.03 C ATOM 452 CG2 VAL A 27 2.780 -21.302 -8.858 1.00 61.32 C ATOM 0 H VAL A 27 1.261 -22.695 -6.647 1.00 33.14 H new ATOM 0 HA VAL A 27 3.560 -20.890 -6.210 1.00 34.24 H new ATOM 0 HB VAL A 27 1.050 -20.545 -7.843 1.00 33.32 H new ATOM 0 HG11 VAL A 27 2.420 -18.649 -8.816 1.00 42.03 H new ATOM 0 HG12 VAL A 27 2.195 -18.440 -7.063 1.00 42.03 H new ATOM 0 HG13 VAL A 27 3.741 -19.054 -7.694 1.00 42.03 H new ATOM 0 HG21 VAL A 27 2.499 -20.877 -9.821 1.00 61.32 H new ATOM 0 HG22 VAL A 27 3.864 -21.273 -8.752 1.00 61.32 H new ATOM 0 HG23 VAL A 27 2.437 -22.335 -8.804 1.00 61.32 H new ATOM 462 N SER A 28 2.471 -19.884 -4.183 1.00 54.04 N ATOM 463 CA SER A 28 1.887 -19.302 -2.985 1.00 62.21 C ATOM 464 C SER A 28 2.098 -17.790 -2.918 1.00 11.11 C ATOM 465 O SER A 28 3.210 -17.302 -3.106 1.00 73.23 O ATOM 466 CB SER A 28 2.450 -20.019 -1.753 1.00 0.22 C ATOM 467 OG SER A 28 3.861 -20.012 -1.770 1.00 71.34 O ATOM 0 H SER A 28 3.487 -19.961 -4.146 1.00 54.04 H new ATOM 0 HA SER A 28 0.807 -19.447 -3.014 1.00 62.21 H new ATOM 0 HB2 SER A 28 2.090 -19.531 -0.847 1.00 0.22 H new ATOM 0 HB3 SER A 28 2.087 -21.047 -1.727 1.00 0.22 H new ATOM 0 HG SER A 28 4.196 -20.894 -1.504 1.00 71.34 H new ATOM 473 N GLY A 29 1.024 -17.058 -2.601 1.00 45.13 N ATOM 474 CA GLY A 29 1.094 -15.658 -2.220 1.00 75.54 C ATOM 475 C GLY A 29 1.339 -14.724 -3.401 1.00 34.45 C ATOM 476 O GLY A 29 2.210 -13.860 -3.324 1.00 31.52 O ATOM 0 H GLY A 29 0.075 -17.433 -2.604 1.00 45.13 H new ATOM 0 HA2 GLY A 29 0.163 -15.375 -1.729 1.00 75.54 H new ATOM 0 HA3 GLY A 29 1.892 -15.527 -1.490 1.00 75.54 H new ATOM 480 N PHE A 30 0.545 -14.864 -4.469 1.00 60.11 N ATOM 481 CA PHE A 30 0.541 -13.926 -5.582 1.00 33.44 C ATOM 482 C PHE A 30 -0.450 -12.801 -5.298 1.00 75.45 C ATOM 483 O PHE A 30 -1.627 -12.890 -5.637 1.00 24.11 O ATOM 484 CB PHE A 30 0.260 -14.649 -6.902 1.00 13.41 C ATOM 485 CG PHE A 30 -0.873 -15.661 -6.909 1.00 31.43 C ATOM 486 CD1 PHE A 30 -0.615 -17.007 -6.591 1.00 51.12 C ATOM 487 CD2 PHE A 30 -2.168 -15.278 -7.307 1.00 40.35 C ATOM 488 CE1 PHE A 30 -1.656 -17.950 -6.622 1.00 64.31 C ATOM 489 CE2 PHE A 30 -3.221 -16.206 -7.270 1.00 5.31 C ATOM 490 CZ PHE A 30 -2.964 -17.541 -6.918 1.00 51.14 C ATOM 0 H PHE A 30 -0.113 -15.636 -4.580 1.00 60.11 H new ATOM 0 HA PHE A 30 1.528 -13.475 -5.687 1.00 33.44 H new ATOM 0 HB2 PHE A 30 0.046 -13.896 -7.661 1.00 13.41 H new ATOM 0 HB3 PHE A 30 1.172 -15.161 -7.208 1.00 13.41 H new ATOM 0 HD1 PHE A 30 0.385 -17.316 -6.323 1.00 51.12 H new ATOM 0 HD2 PHE A 30 -2.352 -14.268 -7.642 1.00 40.35 H new ATOM 0 HE1 PHE A 30 -1.449 -18.990 -6.418 1.00 64.31 H new ATOM 0 HE2 PHE A 30 -4.226 -15.894 -7.512 1.00 5.31 H new ATOM 0 HZ PHE A 30 -3.775 -18.253 -6.875 1.00 51.14 H new ATOM 500 N HIS A 31 0.043 -11.728 -4.674 1.00 21.34 N ATOM 501 CA HIS A 31 -0.756 -10.535 -4.423 1.00 62.51 C ATOM 502 C HIS A 31 -0.658 -9.608 -5.638 1.00 53.45 C ATOM 503 O HIS A 31 0.452 -9.338 -6.092 1.00 74.23 O ATOM 504 CB HIS A 31 -0.290 -9.801 -3.162 1.00 43.41 C ATOM 505 CG HIS A 31 -0.681 -10.490 -1.882 1.00 75.44 C ATOM 506 ND1 HIS A 31 -1.388 -9.841 -0.883 1.00 33.33 N ATOM 507 CD2 HIS A 31 -0.512 -11.774 -1.428 1.00 23.25 C ATOM 508 CE1 HIS A 31 -1.583 -10.727 0.106 1.00 45.14 C ATOM 509 NE2 HIS A 31 -1.045 -11.921 -0.152 1.00 13.45 N ATOM 0 H HIS A 31 1.002 -11.666 -4.332 1.00 21.34 H new ATOM 0 HA HIS A 31 -1.791 -10.836 -4.262 1.00 62.51 H new ATOM 0 HB2 HIS A 31 0.795 -9.698 -3.192 1.00 43.41 H new ATOM 0 HB3 HIS A 31 -0.706 -8.794 -3.164 1.00 43.41 H new ATOM 0 HD1 HIS A 31 -1.702 -8.871 -0.897 1.00 33.33 H new ATOM 0 HD2 HIS A 31 -0.030 -12.563 -1.986 1.00 23.25 H new ATOM 0 HE1 HIS A 31 -2.119 -10.498 1.015 1.00 45.14 H new ATOM 517 N PRO A 32 -1.781 -9.088 -6.157 1.00 5.54 N ATOM 518 CA PRO A 32 -3.125 -9.217 -5.614 1.00 61.34 C ATOM 519 C PRO A 32 -3.822 -10.505 -6.064 1.00 75.23 C ATOM 520 O PRO A 32 -4.488 -11.135 -5.247 1.00 31.32 O ATOM 521 CB PRO A 32 -3.873 -7.981 -6.111 1.00 1.53 C ATOM 522 CG PRO A 32 -3.220 -7.701 -7.465 1.00 32.33 C ATOM 523 CD PRO A 32 -1.767 -8.128 -7.248 1.00 1.32 C ATOM 0 HA PRO A 32 -3.102 -9.279 -4.526 1.00 61.34 H new ATOM 0 HB2 PRO A 32 -4.942 -8.170 -6.210 1.00 1.53 H new ATOM 0 HB3 PRO A 32 -3.760 -7.140 -5.427 1.00 1.53 H new ATOM 0 HG2 PRO A 32 -3.692 -8.271 -8.265 1.00 32.33 H new ATOM 0 HG3 PRO A 32 -3.294 -6.648 -7.738 1.00 32.33 H new ATOM 0 HD2 PRO A 32 -1.354 -8.574 -8.153 1.00 1.32 H new ATOM 0 HD3 PRO A 32 -1.142 -7.269 -7.002 1.00 1.32 H new ATOM 531 N SER A 33 -3.726 -10.874 -7.349 1.00 24.10 N ATOM 532 CA SER A 33 -4.599 -11.893 -7.926 1.00 25.30 C ATOM 533 C SER A 33 -4.166 -12.327 -9.330 1.00 51.04 C ATOM 534 O SER A 33 -4.111 -13.527 -9.590 1.00 32.40 O ATOM 535 CB SER A 33 -6.052 -11.388 -7.960 1.00 51.11 C ATOM 536 OG SER A 33 -6.128 -10.120 -8.577 1.00 20.20 O ATOM 0 H SER A 33 -3.051 -10.479 -8.004 1.00 24.10 H new ATOM 0 HA SER A 33 -4.523 -12.770 -7.284 1.00 25.30 H new ATOM 0 HB2 SER A 33 -6.676 -12.099 -8.501 1.00 51.11 H new ATOM 0 HB3 SER A 33 -6.445 -11.328 -6.945 1.00 51.11 H new ATOM 0 HG SER A 33 -7.060 -9.818 -8.590 1.00 20.20 H new ATOM 542 N ASP A 34 -3.943 -11.363 -10.236 1.00 51.11 N ATOM 543 CA ASP A 34 -3.912 -11.562 -11.685 1.00 53.23 C ATOM 544 C ASP A 34 -2.696 -12.370 -12.162 1.00 32.14 C ATOM 545 O ASP A 34 -1.738 -11.801 -12.687 1.00 75.45 O ATOM 546 CB ASP A 34 -3.976 -10.191 -12.380 1.00 54.54 C ATOM 547 CG ASP A 34 -5.168 -9.360 -11.912 1.00 22.35 C ATOM 548 OD1 ASP A 34 -4.948 -8.492 -11.038 1.00 33.22 O ATOM 549 OD2 ASP A 34 -6.278 -9.611 -12.429 1.00 61.42 O ATOM 0 H ASP A 34 -3.774 -10.394 -9.967 1.00 51.11 H new ATOM 0 HA ASP A 34 -4.782 -12.160 -11.957 1.00 53.23 H new ATOM 0 HB2 ASP A 34 -3.054 -9.643 -12.184 1.00 54.54 H new ATOM 0 HB3 ASP A 34 -4.037 -10.335 -13.459 1.00 54.54 H new ATOM 554 N ILE A 35 -2.756 -13.699 -11.990 1.00 14.44 N ATOM 555 CA ILE A 35 -1.688 -14.635 -12.326 1.00 22.53 C ATOM 556 C ILE A 35 -2.044 -15.453 -13.573 1.00 40.52 C ATOM 557 O ILE A 35 -3.220 -15.685 -13.847 1.00 15.33 O ATOM 558 CB ILE A 35 -1.366 -15.534 -11.111 1.00 5.34 C ATOM 559 CG1 ILE A 35 0.012 -16.181 -11.318 1.00 4.04 C ATOM 560 CG2 ILE A 35 -2.453 -16.591 -10.852 1.00 1.11 C ATOM 561 CD1 ILE A 35 0.552 -16.861 -10.064 1.00 40.03 C ATOM 0 H ILE A 35 -3.578 -14.160 -11.600 1.00 14.44 H new ATOM 0 HA ILE A 35 -0.788 -14.070 -12.568 1.00 22.53 H new ATOM 0 HB ILE A 35 -1.344 -14.909 -10.218 1.00 5.34 H new ATOM 0 HG12 ILE A 35 -0.056 -16.915 -12.121 1.00 4.04 H new ATOM 0 HG13 ILE A 35 0.719 -15.418 -11.643 1.00 4.04 H new ATOM 0 HG21 ILE A 35 -2.175 -17.194 -9.988 1.00 1.11 H new ATOM 0 HG22 ILE A 35 -3.404 -16.095 -10.658 1.00 1.11 H new ATOM 0 HG23 ILE A 35 -2.551 -17.234 -11.727 1.00 1.11 H new ATOM 0 HD11 ILE A 35 1.528 -17.297 -10.278 1.00 40.03 H new ATOM 0 HD12 ILE A 35 0.651 -16.126 -9.265 1.00 40.03 H new ATOM 0 HD13 ILE A 35 -0.136 -17.646 -9.751 1.00 40.03 H new ATOM 573 N GLU A 36 -1.017 -15.903 -14.306 1.00 25.52 N ATOM 574 CA GLU A 36 -1.129 -16.790 -15.453 1.00 45.03 C ATOM 575 C GLU A 36 -0.043 -17.866 -15.343 1.00 63.24 C ATOM 576 O GLU A 36 1.063 -17.700 -15.858 1.00 31.20 O ATOM 577 CB GLU A 36 -0.952 -15.992 -16.747 1.00 72.11 C ATOM 578 CG GLU A 36 -1.959 -14.848 -16.923 1.00 11.20 C ATOM 579 CD GLU A 36 -1.685 -14.079 -18.213 1.00 54.02 C ATOM 580 OE1 GLU A 36 -2.523 -14.186 -19.134 1.00 54.43 O ATOM 581 OE2 GLU A 36 -0.636 -13.400 -18.260 1.00 55.04 O ATOM 0 H GLU A 36 -0.052 -15.644 -14.102 1.00 25.52 H new ATOM 0 HA GLU A 36 -2.113 -17.259 -15.469 1.00 45.03 H new ATOM 0 HB2 GLU A 36 0.057 -15.580 -16.771 1.00 72.11 H new ATOM 0 HB3 GLU A 36 -1.039 -16.672 -17.595 1.00 72.11 H new ATOM 0 HG2 GLU A 36 -2.972 -15.249 -16.942 1.00 11.20 H new ATOM 0 HG3 GLU A 36 -1.900 -14.171 -16.071 1.00 11.20 H new ATOM 588 N VAL A 37 -0.361 -18.972 -14.665 1.00 60.13 N ATOM 589 CA VAL A 37 0.543 -20.105 -14.502 1.00 23.14 C ATOM 590 C VAL A 37 0.321 -21.084 -15.654 1.00 34.12 C ATOM 591 O VAL A 37 -0.469 -22.022 -15.548 1.00 72.43 O ATOM 592 CB VAL A 37 0.360 -20.764 -13.129 1.00 33.23 C ATOM 593 CG1 VAL A 37 1.434 -21.838 -12.917 1.00 24.21 C ATOM 594 CG2 VAL A 37 0.472 -19.717 -12.016 1.00 34.11 C ATOM 0 H VAL A 37 -1.264 -19.104 -14.210 1.00 60.13 H new ATOM 0 HA VAL A 37 1.577 -19.762 -14.536 1.00 23.14 H new ATOM 0 HB VAL A 37 -0.629 -21.221 -13.095 1.00 33.23 H new ATOM 0 HG11 VAL A 37 1.297 -22.301 -11.940 1.00 24.21 H new ATOM 0 HG12 VAL A 37 1.347 -22.597 -13.694 1.00 24.21 H new ATOM 0 HG13 VAL A 37 2.422 -21.380 -12.966 1.00 24.21 H new ATOM 0 HG21 VAL A 37 0.340 -20.200 -11.048 1.00 34.11 H new ATOM 0 HG22 VAL A 37 1.455 -19.247 -12.056 1.00 34.11 H new ATOM 0 HG23 VAL A 37 -0.299 -18.958 -12.151 1.00 34.11 H new ATOM 604 N ASP A 38 1.017 -20.829 -16.764 1.00 32.32 N ATOM 605 CA ASP A 38 0.792 -21.481 -18.045 1.00 41.23 C ATOM 606 C ASP A 38 1.862 -22.552 -18.260 1.00 13.43 C ATOM 607 O ASP A 38 2.672 -22.451 -19.178 1.00 12.30 O ATOM 608 CB ASP A 38 0.802 -20.401 -19.137 1.00 12.13 C ATOM 609 CG ASP A 38 0.383 -20.949 -20.500 1.00 1.42 C ATOM 610 OD1 ASP A 38 -0.828 -21.215 -20.654 1.00 15.03 O ATOM 611 OD2 ASP A 38 1.274 -21.083 -21.366 1.00 22.35 O ATOM 0 H ASP A 38 1.772 -20.144 -16.792 1.00 32.32 H new ATOM 0 HA ASP A 38 -0.173 -21.987 -18.077 1.00 41.23 H new ATOM 0 HB2 ASP A 38 0.129 -19.592 -18.851 1.00 12.13 H new ATOM 0 HB3 ASP A 38 1.802 -19.973 -19.212 1.00 12.13 H new ATOM 616 N LEU A 39 1.885 -23.566 -17.387 1.00 2.33 N ATOM 617 CA LEU A 39 2.957 -24.551 -17.352 1.00 21.43 C ATOM 618 C LEU A 39 3.064 -25.362 -18.641 1.00 74.13 C ATOM 619 O LEU A 39 2.074 -25.588 -19.337 1.00 33.50 O ATOM 620 CB LEU A 39 2.846 -25.458 -16.126 1.00 62.55 C ATOM 621 CG LEU A 39 1.546 -26.276 -16.106 1.00 13.23 C ATOM 622 CD1 LEU A 39 1.853 -27.733 -15.757 1.00 14.25 C ATOM 623 CD2 LEU A 39 0.572 -25.726 -15.061 1.00 52.12 C ATOM 0 H LEU A 39 1.159 -23.721 -16.688 1.00 2.33 H new ATOM 0 HA LEU A 39 3.886 -23.987 -17.268 1.00 21.43 H new ATOM 0 HB2 LEU A 39 3.698 -26.138 -16.104 1.00 62.55 H new ATOM 0 HB3 LEU A 39 2.901 -24.849 -15.223 1.00 62.55 H new ATOM 0 HG LEU A 39 1.093 -26.209 -17.095 1.00 13.23 H new ATOM 0 HD11 LEU A 39 0.927 -28.307 -15.745 1.00 14.25 H new ATOM 0 HD12 LEU A 39 2.529 -28.151 -16.503 1.00 14.25 H new ATOM 0 HD13 LEU A 39 2.323 -27.781 -14.774 1.00 14.25 H new ATOM 0 HD21 LEU A 39 -0.341 -26.321 -15.066 1.00 52.12 H new ATOM 0 HD22 LEU A 39 1.032 -25.774 -14.074 1.00 52.12 H new ATOM 0 HD23 LEU A 39 0.331 -24.690 -15.298 1.00 52.12 H new ATOM 635 N LEU A 40 4.303 -25.763 -18.944 1.00 12.04 N ATOM 636 CA LEU A 40 4.718 -26.345 -20.211 1.00 13.33 C ATOM 637 C LEU A 40 5.478 -27.650 -19.969 1.00 11.20 C ATOM 638 O LEU A 40 5.894 -27.937 -18.845 1.00 74.34 O ATOM 639 CB LEU A 40 5.624 -25.354 -20.964 1.00 31.40 C ATOM 640 CG LEU A 40 5.066 -23.927 -21.095 1.00 3.52 C ATOM 641 CD1 LEU A 40 6.085 -23.048 -21.829 1.00 64.11 C ATOM 642 CD2 LEU A 40 3.738 -23.889 -21.858 1.00 64.32 C ATOM 0 H LEU A 40 5.073 -25.684 -18.279 1.00 12.04 H new ATOM 0 HA LEU A 40 3.832 -26.556 -20.809 1.00 13.33 H new ATOM 0 HB2 LEU A 40 6.586 -25.305 -20.453 1.00 31.40 H new ATOM 0 HB3 LEU A 40 5.813 -25.746 -21.963 1.00 31.40 H new ATOM 0 HG LEU A 40 4.884 -23.554 -20.087 1.00 3.52 H new ATOM 0 HD11 LEU A 40 5.692 -22.036 -21.923 1.00 64.11 H new ATOM 0 HD12 LEU A 40 7.018 -23.024 -21.265 1.00 64.11 H new ATOM 0 HD13 LEU A 40 6.272 -23.458 -22.821 1.00 64.11 H new ATOM 0 HD21 LEU A 40 3.385 -22.860 -21.924 1.00 64.32 H new ATOM 0 HD22 LEU A 40 3.884 -24.287 -22.862 1.00 64.32 H new ATOM 0 HD23 LEU A 40 2.999 -24.493 -21.332 1.00 64.32 H new ATOM 654 N LYS A 41 5.677 -28.424 -21.043 1.00 52.22 N ATOM 655 CA LYS A 41 6.518 -29.612 -21.040 1.00 24.32 C ATOM 656 C LYS A 41 7.221 -29.719 -22.390 1.00 71.53 C ATOM 657 O LYS A 41 6.567 -29.795 -23.428 1.00 14.20 O ATOM 658 CB LYS A 41 5.716 -30.870 -20.671 1.00 60.34 C ATOM 659 CG LYS A 41 4.585 -31.237 -21.640 1.00 24.30 C ATOM 660 CD LYS A 41 3.744 -32.381 -21.058 1.00 40.13 C ATOM 661 CE LYS A 41 2.691 -32.908 -22.041 1.00 40.13 C ATOM 662 NZ LYS A 41 3.306 -33.574 -23.202 1.00 22.21 N ATOM 0 H LYS A 41 5.249 -28.234 -21.949 1.00 52.22 H new ATOM 0 HA LYS A 41 7.282 -29.525 -20.267 1.00 24.32 H new ATOM 0 HB2 LYS A 41 6.404 -31.713 -20.606 1.00 60.34 H new ATOM 0 HB3 LYS A 41 5.289 -30.730 -19.678 1.00 60.34 H new ATOM 0 HG2 LYS A 41 3.954 -30.367 -21.821 1.00 24.30 H new ATOM 0 HG3 LYS A 41 5.002 -31.534 -22.602 1.00 24.30 H new ATOM 0 HD2 LYS A 41 4.404 -33.199 -20.767 1.00 40.13 H new ATOM 0 HD3 LYS A 41 3.247 -32.035 -20.152 1.00 40.13 H new ATOM 0 HE2 LYS A 41 2.034 -33.609 -21.527 1.00 40.13 H new ATOM 0 HE3 LYS A 41 2.069 -32.081 -22.384 1.00 40.13 H new ATOM 0 HZ1 LYS A 41 2.561 -33.900 -23.850 1.00 22.21 H new ATOM 0 HZ2 LYS A 41 3.927 -32.903 -23.698 1.00 22.21 H new ATOM 0 HZ3 LYS A 41 3.865 -34.389 -22.879 1.00 22.21 H new ATOM 676 N ASN A 42 8.558 -29.655 -22.375 1.00 63.35 N ATOM 677 CA ASN A 42 9.379 -29.533 -23.572 1.00 53.54 C ATOM 678 C ASN A 42 8.889 -28.365 -24.440 1.00 60.24 C ATOM 679 O ASN A 42 8.862 -28.461 -25.665 1.00 54.51 O ATOM 680 CB ASN A 42 9.435 -30.875 -24.320 1.00 41.12 C ATOM 681 CG ASN A 42 9.995 -31.985 -23.429 1.00 0.04 C ATOM 682 OD1 ASN A 42 11.208 -32.172 -23.358 1.00 53.02 O ATOM 683 ND2 ASN A 42 9.113 -32.722 -22.747 1.00 41.53 N ATOM 0 H ASN A 42 9.103 -29.688 -21.513 1.00 63.35 H new ATOM 0 HA ASN A 42 10.406 -29.295 -23.293 1.00 53.54 H new ATOM 0 HB2 ASN A 42 8.435 -31.147 -24.658 1.00 41.12 H new ATOM 0 HB3 ASN A 42 10.056 -30.772 -25.210 1.00 41.12 H new ATOM 0 HD21 ASN A 42 9.438 -33.473 -22.139 1.00 41.53 H new ATOM 0 HD22 ASN A 42 8.114 -32.533 -22.835 1.00 41.53 H new ATOM 690 N GLY A 43 8.485 -27.266 -23.785 1.00 31.52 N ATOM 691 CA GLY A 43 8.026 -26.042 -24.424 1.00 44.02 C ATOM 692 C GLY A 43 6.567 -26.072 -24.896 1.00 12.20 C ATOM 693 O GLY A 43 6.033 -25.007 -25.206 1.00 1.32 O ATOM 0 H GLY A 43 8.472 -27.212 -22.767 1.00 31.52 H new ATOM 0 HA2 GLY A 43 8.150 -25.215 -23.725 1.00 44.02 H new ATOM 0 HA3 GLY A 43 8.666 -25.834 -25.281 1.00 44.02 H new ATOM 697 N GLU A 44 5.915 -27.244 -24.979 1.00 51.01 N ATOM 698 CA GLU A 44 4.569 -27.341 -25.539 1.00 41.03 C ATOM 699 C GLU A 44 3.520 -26.845 -24.541 1.00 2.11 C ATOM 700 O GLU A 44 3.700 -26.971 -23.331 1.00 40.01 O ATOM 701 CB GLU A 44 4.281 -28.768 -26.039 1.00 4.05 C ATOM 702 CG GLU A 44 3.631 -29.671 -24.982 1.00 23.41 C ATOM 703 CD GLU A 44 3.617 -31.130 -25.427 1.00 44.01 C ATOM 704 OE1 GLU A 44 4.658 -31.795 -25.231 1.00 73.43 O ATOM 705 OE2 GLU A 44 2.564 -31.564 -25.941 1.00 0.12 O ATOM 0 H GLU A 44 6.303 -28.133 -24.664 1.00 51.01 H new ATOM 0 HA GLU A 44 4.509 -26.685 -26.408 1.00 41.03 H new ATOM 0 HB2 GLU A 44 3.627 -28.714 -26.910 1.00 4.05 H new ATOM 0 HB3 GLU A 44 5.215 -29.223 -26.369 1.00 4.05 H new ATOM 0 HG2 GLU A 44 4.174 -29.581 -24.041 1.00 23.41 H new ATOM 0 HG3 GLU A 44 2.611 -29.337 -24.794 1.00 23.41 H new ATOM 712 N ARG A 45 2.419 -26.295 -25.065 1.00 23.42 N ATOM 713 CA ARG A 45 1.292 -25.805 -24.283 1.00 54.13 C ATOM 714 C ARG A 45 0.419 -26.973 -23.813 1.00 35.23 C ATOM 715 O ARG A 45 0.039 -27.826 -24.614 1.00 32.42 O ATOM 716 CB ARG A 45 0.504 -24.751 -25.080 1.00 63.31 C ATOM 717 CG ARG A 45 0.047 -25.213 -26.473 1.00 0.02 C ATOM 718 CD ARG A 45 -0.709 -24.084 -27.177 1.00 0.00 C ATOM 719 NE ARG A 45 -1.081 -24.459 -28.547 1.00 12.03 N ATOM 720 CZ ARG A 45 -2.137 -25.217 -28.890 1.00 25.41 C ATOM 721 NH1 ARG A 45 -2.963 -25.714 -27.959 1.00 33.23 N ATOM 722 NH2 ARG A 45 -2.369 -25.480 -30.183 1.00 51.04 N ATOM 0 H ARG A 45 2.290 -26.178 -26.070 1.00 23.42 H new ATOM 0 HA ARG A 45 1.662 -25.309 -23.386 1.00 54.13 H new ATOM 0 HB2 ARG A 45 -0.373 -24.459 -24.503 1.00 63.31 H new ATOM 0 HB3 ARG A 45 1.123 -23.861 -25.192 1.00 63.31 H new ATOM 0 HG2 ARG A 45 0.911 -25.510 -27.068 1.00 0.02 H new ATOM 0 HG3 ARG A 45 -0.594 -26.090 -26.382 1.00 0.02 H new ATOM 0 HD2 ARG A 45 -1.606 -23.836 -26.610 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.089 -23.188 -27.199 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.488 -24.115 -29.302 1.00 12.03 H new ATOM 0 HH11 ARG A 45 -2.795 -25.519 -26.972 1.00 33.23 H new ATOM 0 HH12 ARG A 45 -3.759 -26.287 -28.237 1.00 33.23 H new ATOM 0 HH21 ARG A 45 -1.746 -25.106 -30.899 1.00 51.04 H new ATOM 0 HH22 ARG A 45 -3.168 -26.054 -30.451 1.00 51.04 H new ATOM 736 N ILE A 46 0.142 -27.024 -22.503 1.00 41.41 N ATOM 737 CA ILE A 46 -0.576 -28.112 -21.849 1.00 21.15 C ATOM 738 C ILE A 46 -2.042 -27.707 -21.676 1.00 25.55 C ATOM 739 O ILE A 46 -2.341 -26.834 -20.863 1.00 15.00 O ATOM 740 CB ILE A 46 0.103 -28.432 -20.498 1.00 54.12 C ATOM 741 CG1 ILE A 46 1.539 -28.935 -20.735 1.00 2.44 C ATOM 742 CG2 ILE A 46 -0.702 -29.479 -19.713 1.00 62.12 C ATOM 743 CD1 ILE A 46 2.292 -29.205 -19.430 1.00 3.44 C ATOM 0 H ILE A 46 0.421 -26.286 -21.856 1.00 41.41 H new ATOM 0 HA ILE A 46 -0.547 -29.017 -22.456 1.00 21.15 H new ATOM 0 HB ILE A 46 0.138 -27.517 -19.907 1.00 54.12 H new ATOM 0 HG12 ILE A 46 1.506 -29.850 -21.327 1.00 2.44 H new ATOM 0 HG13 ILE A 46 2.087 -28.196 -21.320 1.00 2.44 H new ATOM 0 HG21 ILE A 46 -0.203 -29.687 -18.766 1.00 62.12 H new ATOM 0 HG22 ILE A 46 -1.704 -29.097 -19.519 1.00 62.12 H new ATOM 0 HG23 ILE A 46 -0.771 -30.397 -20.296 1.00 62.12 H new ATOM 0 HD11 ILE A 46 3.298 -29.557 -19.657 1.00 3.44 H new ATOM 0 HD12 ILE A 46 2.352 -28.286 -18.848 1.00 3.44 H new ATOM 0 HD13 ILE A 46 1.763 -29.965 -18.855 1.00 3.44 H new ATOM 755 N GLU A 47 -2.955 -28.358 -22.411 1.00 25.42 N ATOM 756 CA GLU A 47 -4.398 -28.143 -22.297 1.00 12.00 C ATOM 757 C GLU A 47 -5.015 -29.125 -21.287 1.00 31.23 C ATOM 758 O GLU A 47 -6.120 -29.622 -21.497 1.00 53.34 O ATOM 759 CB GLU A 47 -5.062 -28.263 -23.681 1.00 35.13 C ATOM 760 CG GLU A 47 -4.758 -27.077 -24.608 1.00 21.23 C ATOM 761 CD GLU A 47 -3.296 -26.996 -25.032 1.00 3.42 C ATOM 762 OE1 GLU A 47 -2.684 -25.939 -24.765 1.00 61.44 O ATOM 763 OE2 GLU A 47 -2.820 -27.982 -25.635 1.00 21.23 O ATOM 0 H GLU A 47 -2.705 -29.057 -23.110 1.00 25.42 H new ATOM 0 HA GLU A 47 -4.577 -27.135 -21.923 1.00 12.00 H new ATOM 0 HB2 GLU A 47 -4.726 -29.183 -24.159 1.00 35.13 H new ATOM 0 HB3 GLU A 47 -6.141 -28.347 -23.552 1.00 35.13 H new ATOM 0 HG2 GLU A 47 -5.383 -27.152 -25.498 1.00 21.23 H new ATOM 0 HG3 GLU A 47 -5.033 -26.151 -24.103 1.00 21.23 H new ATOM 770 N LYS A 48 -4.305 -29.391 -20.183 1.00 25.43 N ATOM 771 CA LYS A 48 -4.752 -30.219 -19.070 1.00 63.22 C ATOM 772 C LYS A 48 -4.097 -29.706 -17.788 1.00 71.25 C ATOM 773 O LYS A 48 -3.290 -30.399 -17.169 1.00 4.54 O ATOM 774 CB LYS A 48 -4.422 -31.704 -19.298 1.00 23.31 C ATOM 775 CG LYS A 48 -5.191 -32.326 -20.467 1.00 32.21 C ATOM 776 CD LYS A 48 -5.191 -33.851 -20.326 1.00 23.54 C ATOM 777 CE LYS A 48 -5.848 -34.511 -21.539 1.00 14.50 C ATOM 778 NZ LYS A 48 -5.948 -35.968 -21.354 1.00 12.45 N ATOM 0 H LYS A 48 -3.367 -29.017 -20.041 1.00 25.43 H new ATOM 0 HA LYS A 48 -5.837 -30.149 -18.987 1.00 63.22 H new ATOM 0 HB2 LYS A 48 -3.352 -31.807 -19.481 1.00 23.31 H new ATOM 0 HB3 LYS A 48 -4.645 -32.262 -18.388 1.00 23.31 H new ATOM 0 HG2 LYS A 48 -6.215 -31.952 -20.483 1.00 32.21 H new ATOM 0 HG3 LYS A 48 -4.732 -32.038 -21.413 1.00 32.21 H new ATOM 0 HD2 LYS A 48 -4.167 -34.211 -20.221 1.00 23.54 H new ATOM 0 HD3 LYS A 48 -5.723 -34.136 -19.419 1.00 23.54 H new ATOM 0 HE2 LYS A 48 -6.842 -34.091 -21.693 1.00 14.50 H new ATOM 0 HE3 LYS A 48 -5.268 -34.293 -22.436 1.00 14.50 H new ATOM 0 HZ1 LYS A 48 -6.397 -36.394 -22.190 1.00 12.45 H new ATOM 0 HZ2 LYS A 48 -4.996 -36.368 -21.230 1.00 12.45 H new ATOM 0 HZ3 LYS A 48 -6.522 -36.172 -20.511 1.00 12.45 H new ATOM 792 N VAL A 49 -4.456 -28.479 -17.396 1.00 53.43 N ATOM 793 CA VAL A 49 -4.021 -27.865 -16.154 1.00 21.42 C ATOM 794 C VAL A 49 -5.097 -28.132 -15.105 1.00 14.41 C ATOM 795 O VAL A 49 -6.124 -27.456 -15.075 1.00 21.54 O ATOM 796 CB VAL A 49 -3.792 -26.364 -16.365 1.00 34.35 C ATOM 797 CG1 VAL A 49 -3.316 -25.698 -15.069 1.00 40.03 C ATOM 798 CG2 VAL A 49 -2.769 -26.119 -17.483 1.00 60.41 C ATOM 0 H VAL A 49 -5.069 -27.880 -17.949 1.00 53.43 H new ATOM 0 HA VAL A 49 -3.075 -28.287 -15.816 1.00 21.42 H new ATOM 0 HB VAL A 49 -4.744 -25.921 -16.658 1.00 34.35 H new ATOM 0 HG11 VAL A 49 -3.160 -24.633 -15.243 1.00 40.03 H new ATOM 0 HG12 VAL A 49 -4.069 -25.832 -14.293 1.00 40.03 H new ATOM 0 HG13 VAL A 49 -2.379 -26.154 -14.748 1.00 40.03 H new ATOM 0 HG21 VAL A 49 -2.623 -25.047 -17.614 1.00 60.41 H new ATOM 0 HG22 VAL A 49 -1.820 -26.584 -17.216 1.00 60.41 H new ATOM 0 HG23 VAL A 49 -3.136 -26.552 -18.414 1.00 60.41 H new ATOM 808 N GLU A 50 -4.843 -29.121 -14.247 1.00 72.21 N ATOM 809 CA GLU A 50 -5.697 -29.450 -13.115 1.00 2.43 C ATOM 810 C GLU A 50 -5.168 -28.647 -11.939 1.00 43.41 C ATOM 811 O GLU A 50 -3.958 -28.570 -11.751 1.00 20.20 O ATOM 812 CB GLU A 50 -5.670 -30.951 -12.795 1.00 1.44 C ATOM 813 CG GLU A 50 -6.325 -31.824 -13.873 1.00 43.35 C ATOM 814 CD GLU A 50 -5.525 -31.871 -15.171 1.00 3.43 C ATOM 815 OE1 GLU A 50 -6.102 -31.473 -16.207 1.00 20.42 O ATOM 816 OE2 GLU A 50 -4.354 -32.304 -15.106 1.00 41.23 O ATOM 0 H GLU A 50 -4.023 -29.723 -14.324 1.00 72.21 H new ATOM 0 HA GLU A 50 -6.736 -29.207 -13.339 1.00 2.43 H new ATOM 0 HB2 GLU A 50 -4.635 -31.267 -12.664 1.00 1.44 H new ATOM 0 HB3 GLU A 50 -6.178 -31.120 -11.845 1.00 1.44 H new ATOM 0 HG2 GLU A 50 -6.444 -32.837 -13.489 1.00 43.35 H new ATOM 0 HG3 GLU A 50 -7.325 -31.443 -14.083 1.00 43.35 H new ATOM 823 N HIS A 51 -6.057 -28.009 -11.178 1.00 33.12 N ATOM 824 CA HIS A 51 -5.660 -27.051 -10.163 1.00 5.02 C ATOM 825 C HIS A 51 -6.744 -26.959 -9.094 1.00 62.22 C ATOM 826 O HIS A 51 -7.880 -27.373 -9.324 1.00 54.04 O ATOM 827 CB HIS A 51 -5.381 -25.704 -10.838 1.00 44.22 C ATOM 828 CG HIS A 51 -6.559 -25.171 -11.611 1.00 34.11 C ATOM 829 ND1 HIS A 51 -6.726 -25.397 -12.969 1.00 12.00 N ATOM 830 CD2 HIS A 51 -7.670 -24.466 -11.221 1.00 2.31 C ATOM 831 CE1 HIS A 51 -7.883 -24.818 -13.330 1.00 71.53 C ATOM 832 NE2 HIS A 51 -8.510 -24.233 -12.307 1.00 2.30 N ATOM 0 H HIS A 51 -7.065 -28.145 -11.252 1.00 33.12 H new ATOM 0 HA HIS A 51 -4.746 -27.369 -9.662 1.00 5.02 H new ATOM 0 HB2 HIS A 51 -5.095 -24.977 -10.078 1.00 44.22 H new ATOM 0 HB3 HIS A 51 -4.531 -25.812 -11.512 1.00 44.22 H new ATOM 0 HD1 HIS A 51 -6.089 -25.908 -13.580 1.00 12.00 H new ATOM 0 HD2 HIS A 51 -7.866 -24.137 -10.211 1.00 2.31 H new ATOM 0 HE1 HIS A 51 -8.265 -24.825 -14.340 1.00 71.53 H new ATOM 840 N SER A 52 -6.374 -26.447 -7.914 1.00 2.23 N ATOM 841 CA SER A 52 -7.253 -26.378 -6.758 1.00 24.24 C ATOM 842 C SER A 52 -8.231 -25.204 -6.902 1.00 61.41 C ATOM 843 O SER A 52 -9.053 -25.201 -7.816 1.00 40.31 O ATOM 844 CB SER A 52 -6.404 -26.342 -5.477 1.00 23.13 C ATOM 845 OG SER A 52 -5.500 -25.254 -5.492 1.00 4.21 O ATOM 0 H SER A 52 -5.444 -26.067 -7.741 1.00 2.23 H new ATOM 0 HA SER A 52 -7.878 -27.269 -6.691 1.00 24.24 H new ATOM 0 HB2 SER A 52 -7.057 -26.264 -4.607 1.00 23.13 H new ATOM 0 HB3 SER A 52 -5.851 -27.276 -5.378 1.00 23.13 H new ATOM 0 HG SER A 52 -4.974 -25.254 -4.665 1.00 4.21 H new ATOM 851 N ASP A 53 -8.154 -24.220 -5.998 1.00 44.41 N ATOM 852 CA ASP A 53 -9.021 -23.051 -5.962 1.00 2.11 C ATOM 853 C ASP A 53 -8.224 -21.870 -5.417 1.00 62.53 C ATOM 854 O ASP A 53 -7.165 -22.056 -4.818 1.00 25.15 O ATOM 855 CB ASP A 53 -10.240 -23.316 -5.066 1.00 23.32 C ATOM 856 CG ASP A 53 -11.135 -24.428 -5.608 1.00 0.41 C ATOM 857 OD1 ASP A 53 -11.886 -24.137 -6.565 1.00 51.43 O ATOM 858 OD2 ASP A 53 -11.052 -25.547 -5.057 1.00 42.01 O ATOM 0 H ASP A 53 -7.461 -24.222 -5.249 1.00 44.41 H new ATOM 0 HA ASP A 53 -9.377 -22.830 -6.968 1.00 2.11 H new ATOM 0 HB2 ASP A 53 -9.900 -23.583 -4.066 1.00 23.32 H new ATOM 0 HB3 ASP A 53 -10.822 -22.400 -4.970 1.00 23.32 H new ATOM 863 N LEU A 54 -8.752 -20.658 -5.616 1.00 72.51 N ATOM 864 CA LEU A 54 -8.175 -19.423 -5.107 1.00 61.34 C ATOM 865 C LEU A 54 -8.349 -19.391 -3.582 1.00 74.31 C ATOM 866 O LEU A 54 -9.328 -18.854 -3.066 1.00 23.10 O ATOM 867 CB LEU A 54 -8.851 -18.243 -5.820 1.00 3.45 C ATOM 868 CG LEU A 54 -8.219 -16.892 -5.463 1.00 13.15 C ATOM 869 CD1 LEU A 54 -6.860 -16.694 -6.150 1.00 64.15 C ATOM 870 CD2 LEU A 54 -9.161 -15.758 -5.880 1.00 74.13 C ATOM 0 H LEU A 54 -9.610 -20.512 -6.147 1.00 72.51 H new ATOM 0 HA LEU A 54 -7.106 -19.356 -5.309 1.00 61.34 H new ATOM 0 HB2 LEU A 54 -8.791 -18.393 -6.898 1.00 3.45 H new ATOM 0 HB3 LEU A 54 -9.909 -18.224 -5.559 1.00 3.45 H new ATOM 0 HG LEU A 54 -8.058 -16.879 -4.385 1.00 13.15 H new ATOM 0 HD11 LEU A 54 -6.448 -15.725 -5.869 1.00 64.15 H new ATOM 0 HD12 LEU A 54 -6.176 -17.483 -5.837 1.00 64.15 H new ATOM 0 HD13 LEU A 54 -6.990 -16.734 -7.232 1.00 64.15 H new ATOM 0 HD21 LEU A 54 -8.710 -14.799 -5.626 1.00 74.13 H new ATOM 0 HD22 LEU A 54 -9.333 -15.805 -6.955 1.00 74.13 H new ATOM 0 HD23 LEU A 54 -10.111 -15.863 -5.356 1.00 74.13 H new ATOM 882 N SER A 55 -7.398 -20.016 -2.879 1.00 4.52 N ATOM 883 CA SER A 55 -7.498 -20.374 -1.472 1.00 0.01 C ATOM 884 C SER A 55 -6.722 -19.379 -0.616 1.00 35.32 C ATOM 885 O SER A 55 -5.511 -19.235 -0.774 1.00 52.42 O ATOM 886 CB SER A 55 -6.957 -21.793 -1.261 1.00 65.11 C ATOM 887 OG SER A 55 -7.709 -22.731 -2.000 1.00 0.23 O ATOM 0 H SER A 55 -6.509 -20.293 -3.295 1.00 4.52 H new ATOM 0 HA SER A 55 -8.545 -20.344 -1.171 1.00 0.01 H new ATOM 0 HB2 SER A 55 -5.911 -21.837 -1.566 1.00 65.11 H new ATOM 0 HB3 SER A 55 -6.991 -22.046 -0.201 1.00 65.11 H new ATOM 0 HG SER A 55 -7.582 -22.570 -2.958 1.00 0.23 H new ATOM 893 N PHE A 56 -7.424 -18.713 0.304 1.00 15.52 N ATOM 894 CA PHE A 56 -6.861 -17.725 1.208 1.00 2.30 C ATOM 895 C PHE A 56 -6.163 -18.453 2.360 1.00 1.04 C ATOM 896 O PHE A 56 -6.824 -19.141 3.137 1.00 72.13 O ATOM 897 CB PHE A 56 -7.984 -16.817 1.732 1.00 22.33 C ATOM 898 CG PHE A 56 -8.810 -16.130 0.655 1.00 11.02 C ATOM 899 CD1 PHE A 56 -9.898 -16.803 0.065 1.00 55.01 C ATOM 900 CD2 PHE A 56 -8.522 -14.807 0.271 1.00 42.34 C ATOM 901 CE1 PHE A 56 -10.665 -16.174 -0.930 1.00 45.15 C ATOM 902 CE2 PHE A 56 -9.322 -14.160 -0.688 1.00 1.33 C ATOM 903 CZ PHE A 56 -10.380 -14.850 -1.304 1.00 52.33 C ATOM 0 H PHE A 56 -8.425 -18.855 0.439 1.00 15.52 H new ATOM 0 HA PHE A 56 -6.131 -17.103 0.689 1.00 2.30 H new ATOM 0 HB2 PHE A 56 -8.651 -17.412 2.356 1.00 22.33 H new ATOM 0 HB3 PHE A 56 -7.544 -16.054 2.374 1.00 22.33 H new ATOM 0 HD1 PHE A 56 -10.144 -17.807 0.379 1.00 55.01 H new ATOM 0 HD2 PHE A 56 -7.685 -14.287 0.714 1.00 42.34 H new ATOM 0 HE1 PHE A 56 -11.473 -16.708 -1.407 1.00 45.15 H new ATOM 0 HE2 PHE A 56 -9.123 -13.132 -0.951 1.00 1.33 H new ATOM 0 HZ PHE A 56 -10.973 -14.363 -2.064 1.00 52.33 H new ATOM 913 N SER A 57 -4.834 -18.312 2.468 1.00 40.02 N ATOM 914 CA SER A 57 -4.052 -18.938 3.528 1.00 15.14 C ATOM 915 C SER A 57 -4.434 -18.332 4.880 1.00 63.24 C ATOM 916 O SER A 57 -5.025 -19.014 5.716 1.00 74.33 O ATOM 917 CB SER A 57 -2.553 -18.782 3.241 1.00 24.11 C ATOM 918 OG SER A 57 -1.789 -19.441 4.228 1.00 43.33 O ATOM 0 H SER A 57 -4.276 -17.758 1.818 1.00 40.02 H new ATOM 0 HA SER A 57 -4.272 -20.005 3.563 1.00 15.14 H new ATOM 0 HB2 SER A 57 -2.320 -19.193 2.258 1.00 24.11 H new ATOM 0 HB3 SER A 57 -2.290 -17.725 3.215 1.00 24.11 H new ATOM 0 HG SER A 57 -0.835 -19.333 4.029 1.00 43.33 H new ATOM 965 N SER A 61 -2.906 -14.699 1.219 1.00 22.10 N ATOM 966 CA SER A 61 -1.873 -15.298 0.387 1.00 43.04 C ATOM 967 C SER A 61 -2.446 -16.525 -0.315 1.00 72.42 C ATOM 968 O SER A 61 -2.962 -17.433 0.335 1.00 60.43 O ATOM 969 CB SER A 61 -0.640 -15.629 1.232 1.00 63.45 C ATOM 970 OG SER A 61 -0.150 -14.455 1.848 1.00 40.31 O ATOM 0 HA SER A 61 -1.549 -14.594 -0.380 1.00 43.04 H new ATOM 0 HB2 SER A 61 -0.896 -16.369 1.991 1.00 63.45 H new ATOM 0 HB3 SER A 61 0.134 -16.071 0.604 1.00 63.45 H new ATOM 0 HG SER A 61 -0.370 -13.678 1.293 1.00 40.31 H new ATOM 976 N PHE A 62 -2.392 -16.515 -1.650 1.00 54.23 N ATOM 977 CA PHE A 62 -3.124 -17.431 -2.503 1.00 21.40 C ATOM 978 C PHE A 62 -2.277 -18.651 -2.849 1.00 31.11 C ATOM 979 O PHE A 62 -1.384 -18.551 -3.685 1.00 20.14 O ATOM 980 CB PHE A 62 -3.564 -16.672 -3.754 1.00 75.12 C ATOM 981 CG PHE A 62 -4.518 -15.537 -3.448 1.00 41.35 C ATOM 982 CD1 PHE A 62 -5.853 -15.835 -3.127 1.00 11.40 C ATOM 983 CD2 PHE A 62 -4.064 -14.206 -3.381 1.00 1.12 C ATOM 984 CE1 PHE A 62 -6.764 -14.800 -2.871 1.00 64.44 C ATOM 985 CE2 PHE A 62 -4.962 -13.178 -3.046 1.00 31.23 C ATOM 986 CZ PHE A 62 -6.319 -13.470 -2.823 1.00 21.23 C ATOM 0 H PHE A 62 -1.821 -15.850 -2.172 1.00 54.23 H new ATOM 0 HA PHE A 62 -4.005 -17.806 -1.981 1.00 21.40 H new ATOM 0 HB2 PHE A 62 -2.684 -16.274 -4.260 1.00 75.12 H new ATOM 0 HB3 PHE A 62 -4.043 -17.366 -4.445 1.00 75.12 H new ATOM 0 HD1 PHE A 62 -6.178 -16.864 -3.077 1.00 11.40 H new ATOM 0 HD2 PHE A 62 -3.029 -13.976 -3.586 1.00 1.12 H new ATOM 0 HE1 PHE A 62 -7.808 -15.026 -2.711 1.00 64.44 H new ATOM 0 HE2 PHE A 62 -4.609 -12.161 -2.960 1.00 31.23 H new ATOM 0 HZ PHE A 62 -7.017 -12.673 -2.615 1.00 21.23 H new ATOM 996 N TYR A 63 -2.558 -19.790 -2.200 1.00 1.04 N ATOM 997 CA TYR A 63 -1.799 -21.025 -2.369 1.00 3.01 C ATOM 998 C TYR A 63 -2.454 -21.965 -3.378 1.00 3.12 C ATOM 999 O TYR A 63 -3.237 -22.843 -3.019 1.00 34.30 O ATOM 1000 CB TYR A 63 -1.495 -21.679 -1.020 1.00 12.34 C ATOM 1001 CG TYR A 63 -2.668 -22.230 -0.227 1.00 62.54 C ATOM 1002 CD1 TYR A 63 -2.889 -23.621 -0.169 1.00 64.44 C ATOM 1003 CD2 TYR A 63 -3.514 -21.363 0.487 1.00 60.21 C ATOM 1004 CE1 TYR A 63 -3.981 -24.133 0.553 1.00 0.10 C ATOM 1005 CE2 TYR A 63 -4.605 -21.876 1.208 1.00 45.33 C ATOM 1006 CZ TYR A 63 -4.843 -23.260 1.237 1.00 20.21 C ATOM 1007 OH TYR A 63 -5.911 -23.750 1.930 1.00 51.45 O ATOM 0 H TYR A 63 -3.328 -19.874 -1.537 1.00 1.04 H new ATOM 0 HA TYR A 63 -0.832 -20.771 -2.803 1.00 3.01 H new ATOM 0 HB2 TYR A 63 -0.793 -22.495 -1.192 1.00 12.34 H new ATOM 0 HB3 TYR A 63 -0.984 -20.944 -0.398 1.00 12.34 H new ATOM 0 HD1 TYR A 63 -2.218 -24.295 -0.680 1.00 64.44 H new ATOM 0 HD2 TYR A 63 -3.324 -20.300 0.481 1.00 60.21 H new ATOM 0 HE1 TYR A 63 -4.157 -25.198 0.582 1.00 0.10 H new ATOM 0 HE2 TYR A 63 -5.262 -21.205 1.741 1.00 45.33 H new ATOM 0 HH TYR A 63 -6.400 -23.009 2.344 1.00 51.45 H new ATOM 1017 N LEU A 64 -2.119 -21.755 -4.652 1.00 14.11 N ATOM 1018 CA LEU A 64 -2.778 -22.410 -5.774 1.00 43.45 C ATOM 1019 C LEU A 64 -1.755 -23.290 -6.489 1.00 43.44 C ATOM 1020 O LEU A 64 -0.788 -22.764 -7.040 1.00 3.23 O ATOM 1021 CB LEU A 64 -3.386 -21.340 -6.702 1.00 54.13 C ATOM 1022 CG LEU A 64 -4.723 -21.783 -7.323 1.00 62.23 C ATOM 1023 CD1 LEU A 64 -5.360 -20.630 -8.106 1.00 11.40 C ATOM 1024 CD2 LEU A 64 -4.601 -23.019 -8.216 1.00 14.02 C ATOM 0 H LEU A 64 -1.374 -21.118 -4.933 1.00 14.11 H new ATOM 0 HA LEU A 64 -3.595 -23.047 -5.437 1.00 43.45 H new ATOM 0 HB2 LEU A 64 -3.539 -20.420 -6.138 1.00 54.13 H new ATOM 0 HB3 LEU A 64 -2.678 -21.111 -7.499 1.00 54.13 H new ATOM 0 HG LEU A 64 -5.366 -22.063 -6.489 1.00 62.23 H new ATOM 0 HD11 LEU A 64 -6.304 -20.961 -8.538 1.00 11.40 H new ATOM 0 HD12 LEU A 64 -5.543 -19.791 -7.434 1.00 11.40 H new ATOM 0 HD13 LEU A 64 -4.687 -20.316 -8.904 1.00 11.40 H new ATOM 0 HD21 LEU A 64 -5.581 -23.274 -8.620 1.00 14.02 H new ATOM 0 HD22 LEU A 64 -3.914 -22.809 -9.036 1.00 14.02 H new ATOM 0 HD23 LEU A 64 -4.221 -23.855 -7.630 1.00 14.02 H new ATOM 1036 N LEU A 65 -1.950 -24.616 -6.462 1.00 71.32 N ATOM 1037 CA LEU A 65 -1.088 -25.558 -7.166 1.00 42.13 C ATOM 1038 C LEU A 65 -1.692 -25.974 -8.510 1.00 11.11 C ATOM 1039 O LEU A 65 -2.905 -25.902 -8.692 1.00 20.41 O ATOM 1040 CB LEU A 65 -0.635 -26.707 -6.251 1.00 52.34 C ATOM 1041 CG LEU A 65 -1.533 -27.944 -6.262 1.00 55.42 C ATOM 1042 CD1 LEU A 65 -0.894 -29.051 -5.419 1.00 34.44 C ATOM 1043 CD2 LEU A 65 -2.948 -27.663 -5.746 1.00 52.22 C ATOM 0 H LEU A 65 -2.712 -25.059 -5.949 1.00 71.32 H new ATOM 0 HA LEU A 65 -0.159 -25.056 -7.435 1.00 42.13 H new ATOM 0 HB2 LEU A 65 0.372 -27.007 -6.543 1.00 52.34 H new ATOM 0 HB3 LEU A 65 -0.573 -26.333 -5.229 1.00 52.34 H new ATOM 0 HG LEU A 65 -1.627 -28.257 -7.302 1.00 55.42 H new ATOM 0 HD11 LEU A 65 -1.536 -29.932 -5.428 1.00 34.44 H new ATOM 0 HD12 LEU A 65 0.081 -29.308 -5.834 1.00 34.44 H new ATOM 0 HD13 LEU A 65 -0.771 -28.702 -4.394 1.00 34.44 H new ATOM 0 HD21 LEU A 65 -3.536 -28.580 -5.779 1.00 52.22 H new ATOM 0 HD22 LEU A 65 -2.896 -27.302 -4.719 1.00 52.22 H new ATOM 0 HD23 LEU A 65 -3.420 -26.907 -6.373 1.00 52.22 H new ATOM 1055 N TYR A 66 -0.828 -26.359 -9.458 1.00 1.01 N ATOM 1056 CA TYR A 66 -1.187 -26.629 -10.845 1.00 64.34 C ATOM 1057 C TYR A 66 -0.531 -27.948 -11.267 1.00 24.10 C ATOM 1058 O TYR A 66 0.655 -27.974 -11.598 1.00 13.23 O ATOM 1059 CB TYR A 66 -0.750 -25.448 -11.723 1.00 13.10 C ATOM 1060 CG TYR A 66 -1.354 -24.103 -11.350 1.00 63.32 C ATOM 1061 CD1 TYR A 66 -2.488 -23.618 -12.028 1.00 13.21 C ATOM 1062 CD2 TYR A 66 -0.732 -23.295 -10.379 1.00 75.31 C ATOM 1063 CE1 TYR A 66 -2.973 -22.325 -11.763 1.00 64.24 C ATOM 1064 CE2 TYR A 66 -1.231 -22.014 -10.095 1.00 0.01 C ATOM 1065 CZ TYR A 66 -2.328 -21.512 -10.815 1.00 1.02 C ATOM 1066 OH TYR A 66 -2.757 -20.236 -10.600 1.00 1.00 O ATOM 0 H TYR A 66 0.166 -26.493 -9.270 1.00 1.01 H new ATOM 0 HA TYR A 66 -2.266 -26.734 -10.962 1.00 64.34 H new ATOM 0 HB2 TYR A 66 0.336 -25.365 -11.678 1.00 13.10 H new ATOM 0 HB3 TYR A 66 -1.010 -25.670 -12.758 1.00 13.10 H new ATOM 0 HD1 TYR A 66 -2.988 -24.241 -12.755 1.00 13.21 H new ATOM 0 HD2 TYR A 66 0.134 -23.663 -9.849 1.00 75.31 H new ATOM 0 HE1 TYR A 66 -3.842 -21.956 -12.288 1.00 64.24 H new ATOM 0 HE2 TYR A 66 -0.772 -21.414 -9.323 1.00 0.01 H new ATOM 0 HH TYR A 66 -2.201 -19.815 -9.911 1.00 1.00 H new ATOM 1076 N TYR A 67 -1.299 -29.042 -11.185 1.00 44.01 N ATOM 1077 CA TYR A 67 -0.795 -30.408 -11.132 1.00 71.15 C ATOM 1078 C TYR A 67 -1.148 -31.207 -12.392 1.00 24.42 C ATOM 1079 O TYR A 67 -2.171 -31.885 -12.433 1.00 33.40 O ATOM 1080 CB TYR A 67 -1.294 -31.098 -9.845 1.00 61.53 C ATOM 1081 CG TYR A 67 -2.798 -31.141 -9.596 1.00 20.23 C ATOM 1082 CD1 TYR A 67 -3.447 -30.040 -9.004 1.00 34.20 C ATOM 1083 CD2 TYR A 67 -3.521 -32.331 -9.807 1.00 22.11 C ATOM 1084 CE1 TYR A 67 -4.806 -30.116 -8.658 1.00 41.41 C ATOM 1085 CE2 TYR A 67 -4.896 -32.387 -9.518 1.00 54.12 C ATOM 1086 CZ TYR A 67 -5.541 -31.276 -8.951 1.00 11.53 C ATOM 1087 OH TYR A 67 -6.878 -31.324 -8.683 1.00 53.14 O ATOM 0 H TYR A 67 -2.317 -28.993 -11.153 1.00 44.01 H new ATOM 0 HA TYR A 67 0.294 -30.371 -11.103 1.00 71.15 H new ATOM 0 HB2 TYR A 67 -0.927 -32.124 -9.852 1.00 61.53 H new ATOM 0 HB3 TYR A 67 -0.828 -30.598 -8.996 1.00 61.53 H new ATOM 0 HD1 TYR A 67 -2.896 -29.131 -8.815 1.00 34.20 H new ATOM 0 HD2 TYR A 67 -3.017 -33.205 -10.193 1.00 22.11 H new ATOM 0 HE1 TYR A 67 -5.286 -29.282 -8.167 1.00 41.41 H new ATOM 0 HE2 TYR A 67 -5.456 -33.285 -9.732 1.00 54.12 H new ATOM 0 HH TYR A 67 -7.233 -32.198 -8.948 1.00 53.14 H new ATOM 1097 N THR A 68 -0.276 -31.168 -13.406 1.00 12.54 N ATOM 1098 CA THR A 68 -0.413 -31.996 -14.602 1.00 32.11 C ATOM 1099 C THR A 68 0.215 -33.371 -14.356 1.00 73.52 C ATOM 1100 O THR A 68 1.278 -33.456 -13.741 1.00 53.41 O ATOM 1101 CB THR A 68 0.209 -31.289 -15.817 1.00 22.51 C ATOM 1102 OG1 THR A 68 -0.112 -31.995 -16.998 1.00 0.43 O ATOM 1103 CG2 THR A 68 1.734 -31.148 -15.727 1.00 23.30 C ATOM 0 H THR A 68 0.543 -30.560 -13.417 1.00 12.54 H new ATOM 0 HA THR A 68 -1.470 -32.146 -14.822 1.00 32.11 H new ATOM 0 HB THR A 68 -0.211 -30.283 -15.832 1.00 22.51 H new ATOM 0 HG1 THR A 68 0.411 -31.637 -17.745 1.00 0.43 H new ATOM 0 HG21 THR A 68 2.106 -30.640 -16.617 1.00 23.30 H new ATOM 0 HG22 THR A 68 1.994 -30.567 -14.842 1.00 23.30 H new ATOM 0 HG23 THR A 68 2.187 -32.137 -15.657 1.00 23.30 H new ATOM 1111 N GLU A 69 -0.433 -34.439 -14.843 1.00 0.02 N ATOM 1112 CA GLU A 69 0.079 -35.800 -14.750 1.00 32.24 C ATOM 1113 C GLU A 69 0.982 -36.085 -15.950 1.00 4.33 C ATOM 1114 O GLU A 69 0.521 -36.590 -16.972 1.00 14.15 O ATOM 1115 CB GLU A 69 -1.082 -36.799 -14.648 1.00 1.22 C ATOM 1116 CG GLU A 69 -0.552 -38.189 -14.264 1.00 3.14 C ATOM 1117 CD GLU A 69 -1.659 -39.218 -14.040 1.00 53.34 C ATOM 1118 OE1 GLU A 69 -1.329 -40.275 -13.458 1.00 11.01 O ATOM 1119 OE2 GLU A 69 -2.808 -38.943 -14.448 1.00 33.23 O ATOM 0 H GLU A 69 -1.335 -34.374 -15.315 1.00 0.02 H new ATOM 0 HA GLU A 69 0.677 -35.912 -13.845 1.00 32.24 H new ATOM 0 HB2 GLU A 69 -1.801 -36.457 -13.904 1.00 1.22 H new ATOM 0 HB3 GLU A 69 -1.610 -36.853 -15.600 1.00 1.22 H new ATOM 0 HG2 GLU A 69 0.113 -38.546 -15.050 1.00 3.14 H new ATOM 0 HG3 GLU A 69 0.045 -38.104 -13.356 1.00 3.14 H new ATOM 1126 N PHE A 70 2.272 -35.754 -15.819 1.00 14.03 N ATOM 1127 CA PHE A 70 3.258 -35.953 -16.868 1.00 12.44 C ATOM 1128 C PHE A 70 3.916 -37.325 -16.743 1.00 44.02 C ATOM 1129 O PHE A 70 4.100 -37.819 -15.633 1.00 41.54 O ATOM 1130 CB PHE A 70 4.309 -34.841 -16.816 1.00 53.51 C ATOM 1131 CG PHE A 70 5.194 -34.816 -15.579 1.00 73.23 C ATOM 1132 CD1 PHE A 70 4.812 -34.062 -14.454 1.00 15.43 C ATOM 1133 CD2 PHE A 70 6.401 -35.542 -15.550 1.00 14.32 C ATOM 1134 CE1 PHE A 70 5.607 -34.073 -13.295 1.00 22.33 C ATOM 1135 CE2 PHE A 70 7.195 -35.549 -14.390 1.00 21.13 C ATOM 1136 CZ PHE A 70 6.788 -34.829 -13.256 1.00 61.35 C ATOM 0 H PHE A 70 2.656 -35.337 -14.971 1.00 14.03 H new ATOM 0 HA PHE A 70 2.752 -35.912 -17.833 1.00 12.44 H new ATOM 0 HB2 PHE A 70 4.949 -34.932 -17.694 1.00 53.51 H new ATOM 0 HB3 PHE A 70 3.798 -33.881 -16.892 1.00 53.51 H new ATOM 0 HD1 PHE A 70 3.907 -33.474 -14.481 1.00 15.43 H new ATOM 0 HD2 PHE A 70 6.717 -36.095 -16.422 1.00 14.32 H new ATOM 0 HE1 PHE A 70 5.308 -33.497 -12.432 1.00 22.33 H new ATOM 0 HE2 PHE A 70 8.119 -36.109 -14.371 1.00 21.13 H new ATOM 0 HZ PHE A 70 7.383 -34.857 -12.355 1.00 61.35 H new ATOM 1146 N THR A 71 4.277 -37.925 -17.884 1.00 5.12 N ATOM 1147 CA THR A 71 4.979 -39.200 -17.949 1.00 2.45 C ATOM 1148 C THR A 71 6.451 -38.948 -18.313 1.00 25.44 C ATOM 1149 O THR A 71 6.745 -38.710 -19.483 1.00 20.44 O ATOM 1150 CB THR A 71 4.286 -40.125 -18.962 1.00 43.12 C ATOM 1151 OG1 THR A 71 2.910 -40.230 -18.648 1.00 42.54 O ATOM 1152 CG2 THR A 71 4.893 -41.532 -18.907 1.00 73.22 C ATOM 0 H THR A 71 4.083 -37.525 -18.802 1.00 5.12 H new ATOM 0 HA THR A 71 4.951 -39.698 -16.980 1.00 2.45 H new ATOM 0 HB THR A 71 4.422 -39.702 -19.957 1.00 43.12 H new ATOM 0 HG1 THR A 71 2.471 -40.819 -19.296 1.00 42.54 H new ATOM 0 HG21 THR A 71 4.390 -42.174 -19.631 1.00 73.22 H new ATOM 0 HG22 THR A 71 5.955 -41.479 -19.145 1.00 73.22 H new ATOM 0 HG23 THR A 71 4.765 -41.944 -17.906 1.00 73.22 H new ATOM 1160 N PRO A 72 7.382 -38.992 -17.343 1.00 74.42 N ATOM 1161 CA PRO A 72 8.804 -38.806 -17.569 1.00 13.00 C ATOM 1162 C PRO A 72 9.405 -40.100 -18.123 1.00 74.21 C ATOM 1163 O PRO A 72 9.930 -40.922 -17.372 1.00 63.23 O ATOM 1164 CB PRO A 72 9.373 -38.431 -16.199 1.00 65.43 C ATOM 1165 CG PRO A 72 8.489 -39.218 -15.233 1.00 2.45 C ATOM 1166 CD PRO A 72 7.129 -39.223 -15.933 1.00 45.02 C ATOM 0 HA PRO A 72 9.032 -38.032 -18.301 1.00 13.00 H new ATOM 0 HB2 PRO A 72 10.422 -38.713 -16.107 1.00 65.43 H new ATOM 0 HB3 PRO A 72 9.314 -37.358 -16.017 1.00 65.43 H new ATOM 0 HG2 PRO A 72 8.865 -40.229 -15.075 1.00 2.45 H new ATOM 0 HG3 PRO A 72 8.437 -38.741 -14.254 1.00 2.45 H new ATOM 0 HD2 PRO A 72 6.620 -40.175 -15.783 1.00 45.02 H new ATOM 0 HD3 PRO A 72 6.481 -38.447 -15.524 1.00 45.02 H new ATOM 1174 N THR A 73 9.325 -40.270 -19.447 1.00 11.11 N ATOM 1175 CA THR A 73 9.922 -41.396 -20.148 1.00 42.31 C ATOM 1176 C THR A 73 11.446 -41.294 -20.050 1.00 52.03 C ATOM 1177 O THR A 73 12.055 -42.002 -19.251 1.00 64.42 O ATOM 1178 CB THR A 73 9.410 -41.453 -21.598 1.00 44.14 C ATOM 1179 OG1 THR A 73 9.593 -40.212 -22.252 1.00 25.20 O ATOM 1180 CG2 THR A 73 7.921 -41.811 -21.643 1.00 63.25 C ATOM 0 H THR A 73 8.837 -39.619 -20.062 1.00 11.11 H new ATOM 0 HA THR A 73 9.626 -42.337 -19.684 1.00 42.31 H new ATOM 0 HB THR A 73 9.987 -42.224 -22.108 1.00 44.14 H new ATOM 0 HG1 THR A 73 9.261 -40.275 -23.172 1.00 25.20 H new ATOM 0 HG21 THR A 73 7.586 -41.844 -22.680 1.00 63.25 H new ATOM 0 HG22 THR A 73 7.767 -42.786 -21.180 1.00 63.25 H new ATOM 0 HG23 THR A 73 7.349 -41.058 -21.101 1.00 63.25 H new ATOM 1188 N GLU A 74 12.047 -40.393 -20.837 1.00 61.33 N ATOM 1189 CA GLU A 74 13.466 -40.067 -20.814 1.00 2.03 C ATOM 1190 C GLU A 74 13.729 -38.841 -21.692 1.00 74.43 C ATOM 1191 O GLU A 74 12.970 -38.560 -22.619 1.00 0.23 O ATOM 1192 CB GLU A 74 14.344 -41.273 -21.206 1.00 44.42 C ATOM 1193 CG GLU A 74 13.875 -42.082 -22.426 1.00 4.31 C ATOM 1194 CD GLU A 74 13.946 -41.301 -23.735 1.00 35.20 C ATOM 1195 OE1 GLU A 74 15.078 -40.935 -24.118 1.00 33.53 O ATOM 1196 OE2 GLU A 74 12.870 -41.099 -24.340 1.00 33.14 O ATOM 0 H GLU A 74 11.532 -39.853 -21.532 1.00 61.33 H new ATOM 0 HA GLU A 74 13.749 -39.819 -19.791 1.00 2.03 H new ATOM 0 HB2 GLU A 74 15.354 -40.913 -21.401 1.00 44.42 H new ATOM 0 HB3 GLU A 74 14.405 -41.946 -20.351 1.00 44.42 H new ATOM 0 HG2 GLU A 74 14.486 -42.980 -22.514 1.00 4.31 H new ATOM 0 HG3 GLU A 74 12.848 -42.410 -22.262 1.00 4.31 H new ATOM 1203 N LYS A 75 14.803 -38.104 -21.373 1.00 23.34 N ATOM 1204 CA LYS A 75 15.250 -36.903 -22.074 1.00 4.22 C ATOM 1205 C LYS A 75 14.169 -35.812 -22.142 1.00 44.21 C ATOM 1206 O LYS A 75 14.191 -34.983 -23.051 1.00 41.35 O ATOM 1207 CB LYS A 75 15.791 -37.266 -23.467 1.00 71.32 C ATOM 1208 CG LYS A 75 16.949 -38.268 -23.381 1.00 42.11 C ATOM 1209 CD LYS A 75 17.442 -38.644 -24.781 1.00 61.45 C ATOM 1210 CE LYS A 75 18.508 -39.739 -24.683 1.00 33.44 C ATOM 1211 NZ LYS A 75 18.940 -40.190 -26.016 1.00 61.21 N ATOM 0 H LYS A 75 15.406 -38.343 -20.586 1.00 23.34 H new ATOM 0 HA LYS A 75 16.064 -36.471 -21.492 1.00 4.22 H new ATOM 0 HB2 LYS A 75 14.988 -37.689 -24.071 1.00 71.32 H new ATOM 0 HB3 LYS A 75 16.129 -36.362 -23.974 1.00 71.32 H new ATOM 0 HG2 LYS A 75 17.768 -37.837 -22.805 1.00 42.11 H new ATOM 0 HG3 LYS A 75 16.624 -39.163 -22.852 1.00 42.11 H new ATOM 0 HD2 LYS A 75 16.607 -38.991 -25.389 1.00 61.45 H new ATOM 0 HD3 LYS A 75 17.855 -37.766 -25.278 1.00 61.45 H new ATOM 0 HE2 LYS A 75 19.368 -39.363 -24.128 1.00 33.44 H new ATOM 0 HE3 LYS A 75 18.112 -40.585 -24.122 1.00 33.44 H new ATOM 0 HZ1 LYS A 75 19.662 -40.932 -25.914 1.00 61.21 H new ATOM 0 HZ2 LYS A 75 18.123 -40.571 -26.535 1.00 61.21 H new ATOM 0 HZ3 LYS A 75 19.340 -39.387 -26.541 1.00 61.21 H new ATOM 1225 N ASP A 76 13.240 -35.799 -21.178 1.00 61.22 N ATOM 1226 CA ASP A 76 12.161 -34.825 -21.100 1.00 43.01 C ATOM 1227 C ASP A 76 12.576 -33.657 -20.206 1.00 22.32 C ATOM 1228 O ASP A 76 13.572 -33.748 -19.487 1.00 20.32 O ATOM 1229 CB ASP A 76 10.917 -35.494 -20.509 1.00 2.25 C ATOM 1230 CG ASP A 76 10.495 -36.742 -21.275 1.00 33.20 C ATOM 1231 OD1 ASP A 76 10.535 -37.824 -20.652 1.00 60.22 O ATOM 1232 OD2 ASP A 76 10.133 -36.591 -22.462 1.00 43.51 O ATOM 0 H ASP A 76 13.223 -36.481 -20.420 1.00 61.22 H new ATOM 0 HA ASP A 76 11.942 -34.452 -22.101 1.00 43.01 H new ATOM 0 HB2 ASP A 76 11.112 -35.760 -19.470 1.00 2.25 H new ATOM 0 HB3 ASP A 76 10.093 -34.780 -20.506 1.00 2.25 H new ATOM 1237 N GLU A 77 11.781 -32.579 -20.210 1.00 71.15 N ATOM 1238 CA GLU A 77 11.905 -31.511 -19.229 1.00 43.22 C ATOM 1239 C GLU A 77 10.540 -30.871 -18.989 1.00 15.11 C ATOM 1240 O GLU A 77 9.818 -30.568 -19.936 1.00 12.24 O ATOM 1241 CB GLU A 77 12.992 -30.501 -19.637 1.00 42.25 C ATOM 1242 CG GLU A 77 12.606 -29.549 -20.783 1.00 61.23 C ATOM 1243 CD GLU A 77 11.797 -28.333 -20.320 1.00 24.23 C ATOM 1244 OE1 GLU A 77 12.220 -27.709 -19.323 1.00 12.01 O ATOM 1245 OE2 GLU A 77 10.778 -28.033 -20.980 1.00 12.31 O ATOM 0 H GLU A 77 11.039 -32.430 -20.894 1.00 71.15 H new ATOM 0 HA GLU A 77 12.237 -31.927 -18.278 1.00 43.22 H new ATOM 0 HB2 GLU A 77 13.257 -29.904 -18.764 1.00 42.25 H new ATOM 0 HB3 GLU A 77 13.886 -31.052 -19.929 1.00 42.25 H new ATOM 0 HG2 GLU A 77 13.513 -29.204 -21.280 1.00 61.23 H new ATOM 0 HG3 GLU A 77 12.027 -30.100 -21.524 1.00 61.23 H new ATOM 1252 N TYR A 78 10.183 -30.703 -17.712 1.00 33.30 N ATOM 1253 CA TYR A 78 8.920 -30.127 -17.271 1.00 64.42 C ATOM 1254 C TYR A 78 9.217 -28.787 -16.602 1.00 32.51 C ATOM 1255 O TYR A 78 10.207 -28.675 -15.879 1.00 51.54 O ATOM 1256 CB TYR A 78 8.235 -31.120 -16.325 1.00 44.21 C ATOM 1257 CG TYR A 78 8.028 -32.477 -16.976 1.00 62.12 C ATOM 1258 CD1 TYR A 78 9.059 -33.434 -16.939 1.00 11.23 C ATOM 1259 CD2 TYR A 78 6.950 -32.664 -17.858 1.00 33.43 C ATOM 1260 CE1 TYR A 78 8.988 -34.592 -17.730 1.00 62.11 C ATOM 1261 CE2 TYR A 78 6.929 -33.773 -18.722 1.00 51.35 C ATOM 1262 CZ TYR A 78 7.931 -34.752 -18.641 1.00 72.33 C ATOM 1263 OH TYR A 78 7.869 -35.848 -19.451 1.00 60.43 O ATOM 0 H TYR A 78 10.788 -30.974 -16.937 1.00 33.30 H new ATOM 0 HA TYR A 78 8.240 -29.944 -18.103 1.00 64.42 H new ATOM 0 HB2 TYR A 78 8.838 -31.238 -15.425 1.00 44.21 H new ATOM 0 HB3 TYR A 78 7.272 -30.717 -16.012 1.00 44.21 H new ATOM 0 HD1 TYR A 78 9.913 -33.276 -16.296 1.00 11.23 H new ATOM 0 HD2 TYR A 78 6.136 -31.954 -17.872 1.00 33.43 H new ATOM 0 HE1 TYR A 78 9.744 -35.358 -17.638 1.00 62.11 H new ATOM 0 HE2 TYR A 78 6.138 -33.872 -19.451 1.00 51.35 H new ATOM 0 HH TYR A 78 7.271 -36.515 -19.054 1.00 60.43 H new ATOM 1273 N ALA A 79 8.402 -27.761 -16.874 1.00 14.23 N ATOM 1274 CA ALA A 79 8.735 -26.397 -16.486 1.00 42.24 C ATOM 1275 C ALA A 79 7.480 -25.550 -16.290 1.00 53.21 C ATOM 1276 O ALA A 79 6.659 -25.439 -17.198 1.00 21.33 O ATOM 1277 CB ALA A 79 9.644 -25.789 -17.556 1.00 61.13 C ATOM 0 H ALA A 79 7.510 -27.855 -17.360 1.00 14.23 H new ATOM 0 HA ALA A 79 9.257 -26.415 -15.529 1.00 42.24 H new ATOM 0 HB1 ALA A 79 9.901 -24.767 -17.277 1.00 61.13 H new ATOM 0 HB2 ALA A 79 10.555 -26.382 -17.640 1.00 61.13 H new ATOM 0 HB3 ALA A 79 9.125 -25.784 -18.514 1.00 61.13 H new ATOM 1283 N CYS A 80 7.347 -24.945 -15.102 1.00 2.04 N ATOM 1284 CA CYS A 80 6.208 -24.119 -14.732 1.00 41.44 C ATOM 1285 C CYS A 80 6.499 -22.651 -15.064 1.00 11.12 C ATOM 1286 O CYS A 80 7.428 -22.066 -14.513 1.00 12.33 O ATOM 1287 CB CYS A 80 5.894 -24.325 -13.246 1.00 72.34 C ATOM 1288 SG CYS A 80 4.311 -23.616 -12.725 1.00 5.50 S ATOM 0 H CYS A 80 8.046 -25.022 -14.363 1.00 2.04 H new ATOM 0 HA CYS A 80 5.327 -24.412 -15.304 1.00 41.44 H new ATOM 0 HB2 CYS A 80 5.891 -25.393 -13.030 1.00 72.34 H new ATOM 0 HB3 CYS A 80 6.693 -23.882 -12.651 1.00 72.34 H new ATOM 1293 N ARG A 81 5.711 -22.069 -15.977 1.00 62.35 N ATOM 1294 CA ARG A 81 5.859 -20.712 -16.478 1.00 54.14 C ATOM 1295 C ARG A 81 4.949 -19.825 -15.639 1.00 4.42 C ATOM 1296 O ARG A 81 3.731 -19.883 -15.794 1.00 65.33 O ATOM 1297 CB ARG A 81 5.464 -20.681 -17.962 1.00 31.52 C ATOM 1298 CG ARG A 81 5.337 -19.251 -18.499 1.00 40.03 C ATOM 1299 CD ARG A 81 4.860 -19.244 -19.951 1.00 71.24 C ATOM 1300 NE ARG A 81 4.392 -17.899 -20.308 1.00 74.13 N ATOM 1301 CZ ARG A 81 3.346 -17.598 -21.097 1.00 43.34 C ATOM 1302 NH1 ARG A 81 2.654 -18.546 -21.745 1.00 52.02 N ATOM 1303 NH2 ARG A 81 2.982 -16.315 -21.233 1.00 4.40 N ATOM 0 H ARG A 81 4.922 -22.558 -16.400 1.00 62.35 H new ATOM 0 HA ARG A 81 6.887 -20.357 -16.402 1.00 54.14 H new ATOM 0 HB2 ARG A 81 6.209 -21.221 -18.546 1.00 31.52 H new ATOM 0 HB3 ARG A 81 4.516 -21.202 -18.095 1.00 31.52 H new ATOM 0 HG2 ARG A 81 4.637 -18.689 -17.881 1.00 40.03 H new ATOM 0 HG3 ARG A 81 6.301 -18.747 -18.428 1.00 40.03 H new ATOM 0 HD2 ARG A 81 5.672 -19.545 -20.613 1.00 71.24 H new ATOM 0 HD3 ARG A 81 4.056 -19.967 -20.084 1.00 71.24 H new ATOM 0 HE ARG A 81 4.913 -17.114 -19.918 1.00 74.13 H new ATOM 0 HH11 ARG A 81 2.917 -19.527 -21.646 1.00 52.02 H new ATOM 0 HH12 ARG A 81 1.865 -18.287 -22.337 1.00 52.02 H new ATOM 0 HH21 ARG A 81 3.496 -15.584 -20.742 1.00 4.40 H new ATOM 0 HH22 ARG A 81 2.191 -16.070 -21.828 1.00 4.40 H new ATOM 1317 N VAL A 82 5.540 -19.027 -14.746 1.00 11.52 N ATOM 1318 CA VAL A 82 4.805 -18.257 -13.760 1.00 20.41 C ATOM 1319 C VAL A 82 4.806 -16.784 -14.177 1.00 54.01 C ATOM 1320 O VAL A 82 5.561 -15.980 -13.630 1.00 74.52 O ATOM 1321 CB VAL A 82 5.407 -18.500 -12.362 1.00 14.30 C ATOM 1322 CG1 VAL A 82 4.471 -17.939 -11.291 1.00 53.25 C ATOM 1323 CG2 VAL A 82 5.599 -19.995 -12.073 1.00 33.21 C ATOM 0 H VAL A 82 6.551 -18.902 -14.693 1.00 11.52 H new ATOM 0 HA VAL A 82 3.764 -18.575 -13.708 1.00 20.41 H new ATOM 0 HB VAL A 82 6.377 -18.003 -12.342 1.00 14.30 H new ATOM 0 HG11 VAL A 82 4.901 -18.113 -10.305 1.00 53.25 H new ATOM 0 HG12 VAL A 82 4.341 -16.868 -11.446 1.00 53.25 H new ATOM 0 HG13 VAL A 82 3.503 -18.435 -11.358 1.00 53.25 H new ATOM 0 HG21 VAL A 82 6.025 -20.121 -11.078 1.00 33.21 H new ATOM 0 HG22 VAL A 82 4.635 -20.502 -12.122 1.00 33.21 H new ATOM 0 HG23 VAL A 82 6.273 -20.425 -12.814 1.00 33.21 H new ATOM 1333 N ASN A 83 3.939 -16.424 -15.133 1.00 54.45 N ATOM 1334 CA ASN A 83 3.660 -15.030 -15.453 1.00 72.23 C ATOM 1335 C ASN A 83 2.703 -14.481 -14.397 1.00 63.35 C ATOM 1336 O ASN A 83 1.810 -15.189 -13.936 1.00 61.23 O ATOM 1337 CB ASN A 83 3.053 -14.898 -16.855 1.00 13.12 C ATOM 1338 CG ASN A 83 4.095 -15.049 -17.959 1.00 62.24 C ATOM 1339 OD1 ASN A 83 4.767 -16.073 -18.047 1.00 41.44 O ATOM 1340 ND2 ASN A 83 4.228 -14.028 -18.810 1.00 31.21 N ATOM 0 H ASN A 83 3.417 -17.092 -15.700 1.00 54.45 H new ATOM 0 HA ASN A 83 4.588 -14.459 -15.449 1.00 72.23 H new ATOM 0 HB2 ASN A 83 2.279 -15.654 -16.985 1.00 13.12 H new ATOM 0 HB3 ASN A 83 2.568 -13.926 -16.948 1.00 13.12 H new ATOM 0 HD21 ASN A 83 4.908 -14.081 -19.568 1.00 31.21 H new ATOM 0 HD22 ASN A 83 3.650 -13.195 -18.701 1.00 31.21 H new ATOM 1347 N HIS A 84 2.911 -13.220 -14.010 1.00 0.00 N ATOM 1348 CA HIS A 84 2.124 -12.520 -13.007 1.00 0.00 C ATOM 1349 C HIS A 84 2.229 -11.024 -13.289 1.00 0.00 C ATOM 1350 O HIS A 84 3.197 -10.582 -13.906 1.00 0.00 O ATOM 1351 CB HIS A 84 2.654 -12.872 -11.611 1.00 0.00 C ATOM 1352 CG HIS A 84 1.918 -12.223 -10.466 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.600 -11.475 -9.511 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.593 -12.270 -10.121 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.671 -11.126 -8.618 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.445 -11.561 -8.946 1.00 0.00 N ATOM 0 H HIS A 84 3.657 -12.645 -14.402 1.00 0.00 H new ATOM 0 HA HIS A 84 1.076 -12.816 -13.046 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.610 -13.954 -11.485 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.705 -12.587 -11.556 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.192 -12.770 -10.668 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.884 -10.554 -7.727 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.421 -11.400 -8.431 1.00 0.00 H new ATOM 1364 N VAL A 85 1.231 -10.249 -12.852 1.00 65.15 N ATOM 1365 CA VAL A 85 1.153 -8.816 -13.107 1.00 41.02 C ATOM 1366 C VAL A 85 2.406 -8.064 -12.632 1.00 43.32 C ATOM 1367 O VAL A 85 2.842 -7.131 -13.305 1.00 71.31 O ATOM 1368 CB VAL A 85 -0.162 -8.249 -12.540 1.00 62.44 C ATOM 1369 CG1 VAL A 85 -0.323 -8.473 -11.030 1.00 52.31 C ATOM 1370 CG2 VAL A 85 -0.310 -6.754 -12.853 1.00 52.45 C ATOM 0 H VAL A 85 0.448 -10.608 -12.305 1.00 65.15 H new ATOM 0 HA VAL A 85 1.134 -8.657 -14.185 1.00 41.02 H new ATOM 0 HB VAL A 85 -0.954 -8.807 -13.039 1.00 62.44 H new ATOM 0 HG11 VAL A 85 -1.271 -8.049 -10.698 1.00 52.31 H new ATOM 0 HG12 VAL A 85 -0.310 -9.542 -10.817 1.00 52.31 H new ATOM 0 HG13 VAL A 85 0.497 -7.988 -10.501 1.00 52.31 H new ATOM 0 HG21 VAL A 85 -1.249 -6.387 -12.438 1.00 52.45 H new ATOM 0 HG22 VAL A 85 0.521 -6.206 -12.410 1.00 52.45 H new ATOM 0 HG23 VAL A 85 -0.308 -6.606 -13.933 1.00 52.45 H new ATOM 1380 N THR A 86 3.007 -8.476 -11.507 1.00 33.30 N ATOM 1381 CA THR A 86 4.214 -7.849 -10.978 1.00 34.12 C ATOM 1382 C THR A 86 5.444 -8.184 -11.831 1.00 72.41 C ATOM 1383 O THR A 86 6.303 -7.325 -12.026 1.00 73.44 O ATOM 1384 CB THR A 86 4.438 -8.239 -9.508 1.00 51.14 C ATOM 1385 OG1 THR A 86 4.767 -9.607 -9.390 1.00 20.25 O ATOM 1386 CG2 THR A 86 3.215 -7.927 -8.638 1.00 21.52 C ATOM 0 H THR A 86 2.666 -9.254 -10.942 1.00 33.30 H new ATOM 0 HA THR A 86 4.070 -6.770 -11.023 1.00 34.12 H new ATOM 0 HB THR A 86 5.273 -7.638 -9.149 1.00 51.14 H new ATOM 0 HG1 THR A 86 3.949 -10.145 -9.428 1.00 20.25 H new ATOM 0 HG21 THR A 86 3.418 -8.219 -7.607 1.00 21.52 H new ATOM 0 HG22 THR A 86 3.003 -6.859 -8.678 1.00 21.52 H new ATOM 0 HG23 THR A 86 2.353 -8.482 -9.009 1.00 21.52 H new ATOM 1394 N LEU A 87 5.536 -9.425 -12.327 1.00 51.01 N ATOM 1395 CA LEU A 87 6.674 -9.904 -13.099 1.00 12.23 C ATOM 1396 C LEU A 87 6.554 -9.445 -14.552 1.00 74.33 C ATOM 1397 O LEU A 87 5.613 -9.817 -15.250 1.00 23.30 O ATOM 1398 CB LEU A 87 6.753 -11.435 -13.036 1.00 13.42 C ATOM 1399 CG LEU A 87 6.868 -12.002 -11.610 1.00 23.25 C ATOM 1400 CD1 LEU A 87 6.792 -13.529 -11.684 1.00 61.33 C ATOM 1401 CD2 LEU A 87 8.179 -11.586 -10.933 1.00 64.44 C ATOM 0 H LEU A 87 4.809 -10.128 -12.198 1.00 51.01 H new ATOM 0 HA LEU A 87 7.586 -9.488 -12.671 1.00 12.23 H new ATOM 0 HB2 LEU A 87 5.866 -11.853 -13.511 1.00 13.42 H new ATOM 0 HB3 LEU A 87 7.613 -11.768 -13.618 1.00 13.42 H new ATOM 0 HG LEU A 87 6.049 -11.601 -11.012 1.00 23.25 H new ATOM 0 HD11 LEU A 87 6.872 -13.946 -10.680 1.00 61.33 H new ATOM 0 HD12 LEU A 87 5.840 -13.825 -12.125 1.00 61.33 H new ATOM 0 HD13 LEU A 87 7.609 -13.905 -12.299 1.00 61.33 H new ATOM 0 HD21 LEU A 87 8.220 -12.007 -9.929 1.00 64.44 H new ATOM 0 HD22 LEU A 87 9.023 -11.956 -11.516 1.00 64.44 H new ATOM 0 HD23 LEU A 87 8.228 -10.499 -10.873 1.00 64.44 H new ATOM 1413 N SER A 88 7.534 -8.659 -15.010 1.00 41.33 N ATOM 1414 CA SER A 88 7.632 -8.215 -16.392 1.00 21.10 C ATOM 1415 C SER A 88 7.924 -9.399 -17.320 1.00 40.43 C ATOM 1416 O SER A 88 7.296 -9.528 -18.370 1.00 74.33 O ATOM 1417 CB SER A 88 8.729 -7.148 -16.491 1.00 55.12 C ATOM 1418 OG SER A 88 8.787 -6.616 -17.797 1.00 1.32 O ATOM 0 H SER A 88 8.289 -8.312 -14.418 1.00 41.33 H new ATOM 0 HA SER A 88 6.683 -7.783 -16.709 1.00 21.10 H new ATOM 0 HB2 SER A 88 8.533 -6.349 -15.775 1.00 55.12 H new ATOM 0 HB3 SER A 88 9.693 -7.584 -16.227 1.00 55.12 H new ATOM 0 HG SER A 88 9.491 -5.936 -17.842 1.00 1.32 H new ATOM 1424 N GLN A 89 8.881 -10.252 -16.928 1.00 51.54 N ATOM 1425 CA GLN A 89 9.373 -11.359 -17.737 1.00 51.44 C ATOM 1426 C GLN A 89 8.595 -12.649 -17.441 1.00 2.21 C ATOM 1427 O GLN A 89 8.080 -12.807 -16.334 1.00 12.02 O ATOM 1428 CB GLN A 89 10.894 -11.521 -17.543 1.00 11.44 C ATOM 1429 CG GLN A 89 11.400 -11.615 -16.093 1.00 62.55 C ATOM 1430 CD GLN A 89 10.937 -12.877 -15.367 1.00 60.52 C ATOM 1431 OE1 GLN A 89 11.197 -13.988 -15.821 1.00 13.13 O ATOM 1432 NE2 GLN A 89 10.255 -12.710 -14.231 1.00 55.54 N ATOM 0 H GLN A 89 9.340 -10.184 -16.019 1.00 51.54 H new ATOM 0 HA GLN A 89 9.202 -11.136 -18.790 1.00 51.44 H new ATOM 0 HB2 GLN A 89 11.211 -12.419 -18.073 1.00 11.44 H new ATOM 0 HB3 GLN A 89 11.390 -10.677 -18.022 1.00 11.44 H new ATOM 0 HG2 GLN A 89 12.490 -11.585 -16.094 1.00 62.55 H new ATOM 0 HG3 GLN A 89 11.058 -10.741 -15.540 1.00 62.55 H new ATOM 0 HE21 GLN A 89 10.059 -11.770 -13.887 1.00 55.54 H new ATOM 0 HE22 GLN A 89 9.930 -13.523 -13.707 1.00 55.54 H new ATOM 1441 N PRO A 90 8.503 -13.582 -18.405 1.00 73.11 N ATOM 1442 CA PRO A 90 7.904 -14.888 -18.186 1.00 13.45 C ATOM 1443 C PRO A 90 8.886 -15.759 -17.398 1.00 74.31 C ATOM 1444 O PRO A 90 10.005 -15.993 -17.854 1.00 23.52 O ATOM 1445 CB PRO A 90 7.632 -15.441 -19.588 1.00 11.23 C ATOM 1446 CG PRO A 90 8.740 -14.816 -20.436 1.00 15.20 C ATOM 1447 CD PRO A 90 8.941 -13.445 -19.787 1.00 11.44 C ATOM 0 HA PRO A 90 6.982 -14.855 -17.606 1.00 13.45 H new ATOM 0 HB2 PRO A 90 7.678 -16.530 -19.606 1.00 11.23 H new ATOM 0 HB3 PRO A 90 6.643 -15.157 -19.947 1.00 11.23 H new ATOM 0 HG2 PRO A 90 9.652 -15.412 -20.410 1.00 15.20 H new ATOM 0 HG3 PRO A 90 8.446 -14.728 -21.482 1.00 15.20 H new ATOM 0 HD2 PRO A 90 9.987 -13.141 -19.836 1.00 11.44 H new ATOM 0 HD3 PRO A 90 8.362 -12.680 -20.305 1.00 11.44 H new ATOM 1455 N LYS A 91 8.484 -16.207 -16.202 1.00 62.35 N ATOM 1456 CA LYS A 91 9.368 -16.905 -15.280 1.00 34.12 C ATOM 1457 C LYS A 91 9.267 -18.414 -15.497 1.00 64.24 C ATOM 1458 O LYS A 91 8.486 -19.088 -14.828 1.00 64.13 O ATOM 1459 CB LYS A 91 9.031 -16.492 -13.841 1.00 53.11 C ATOM 1460 CG LYS A 91 10.082 -17.024 -12.862 1.00 60.13 C ATOM 1461 CD LYS A 91 9.775 -16.567 -11.432 1.00 41.31 C ATOM 1462 CE LYS A 91 10.761 -17.187 -10.437 1.00 24.20 C ATOM 1463 NZ LYS A 91 12.138 -16.697 -10.627 1.00 24.41 N ATOM 0 H LYS A 91 7.533 -16.092 -15.852 1.00 62.35 H new ATOM 0 HA LYS A 91 10.405 -16.627 -15.468 1.00 34.12 H new ATOM 0 HB2 LYS A 91 8.980 -15.405 -13.772 1.00 53.11 H new ATOM 0 HB3 LYS A 91 8.047 -16.875 -13.569 1.00 53.11 H new ATOM 0 HG2 LYS A 91 10.106 -18.113 -12.903 1.00 60.13 H new ATOM 0 HG3 LYS A 91 11.071 -16.672 -13.157 1.00 60.13 H new ATOM 0 HD2 LYS A 91 9.829 -15.480 -11.374 1.00 41.31 H new ATOM 0 HD3 LYS A 91 8.757 -16.851 -11.166 1.00 41.31 H new ATOM 0 HE2 LYS A 91 10.436 -16.963 -9.421 1.00 24.20 H new ATOM 0 HE3 LYS A 91 10.747 -18.272 -10.544 1.00 24.20 H new ATOM 0 HZ1 LYS A 91 12.746 -17.067 -9.868 1.00 24.41 H new ATOM 0 HZ2 LYS A 91 12.498 -17.021 -11.548 1.00 24.41 H new ATOM 0 HZ3 LYS A 91 12.143 -15.657 -10.599 1.00 24.41 H new ATOM 1477 N ILE A 92 10.077 -18.945 -16.421 1.00 13.41 N ATOM 1478 CA ILE A 92 10.177 -20.375 -16.677 1.00 21.24 C ATOM 1479 C ILE A 92 11.015 -20.982 -15.549 1.00 60.41 C ATOM 1480 O ILE A 92 12.235 -20.828 -15.525 1.00 15.45 O ATOM 1481 CB ILE A 92 10.759 -20.638 -18.084 1.00 11.11 C ATOM 1482 CG1 ILE A 92 9.737 -20.345 -19.201 1.00 71.24 C ATOM 1483 CG2 ILE A 92 11.168 -22.110 -18.258 1.00 33.42 C ATOM 1484 CD1 ILE A 92 9.376 -18.869 -19.369 1.00 14.34 C ATOM 0 H ILE A 92 10.686 -18.382 -17.015 1.00 13.41 H new ATOM 0 HA ILE A 92 9.196 -20.851 -16.679 1.00 21.24 H new ATOM 0 HB ILE A 92 11.619 -19.974 -18.165 1.00 11.11 H new ATOM 0 HG12 ILE A 92 10.135 -20.717 -20.145 1.00 71.24 H new ATOM 0 HG13 ILE A 92 8.825 -20.906 -18.996 1.00 71.24 H new ATOM 0 HG21 ILE A 92 11.573 -22.259 -19.259 1.00 33.42 H new ATOM 0 HG22 ILE A 92 11.926 -22.367 -17.518 1.00 33.42 H new ATOM 0 HG23 ILE A 92 10.295 -22.749 -18.121 1.00 33.42 H new ATOM 0 HD11 ILE A 92 8.652 -18.761 -20.177 1.00 14.34 H new ATOM 0 HD12 ILE A 92 8.944 -18.492 -18.442 1.00 14.34 H new ATOM 0 HD13 ILE A 92 10.274 -18.300 -19.608 1.00 14.34 H new ATOM 1496 N VAL A 93 10.343 -21.657 -14.608 1.00 34.20 N ATOM 1497 CA VAL A 93 10.966 -22.368 -13.503 1.00 21.11 C ATOM 1498 C VAL A 93 11.332 -23.765 -13.987 1.00 24.21 C ATOM 1499 O VAL A 93 10.611 -24.349 -14.793 1.00 64.12 O ATOM 1500 CB VAL A 93 10.009 -22.456 -12.300 1.00 53.13 C ATOM 1501 CG1 VAL A 93 10.685 -23.169 -11.120 1.00 14.54 C ATOM 1502 CG2 VAL A 93 9.563 -21.072 -11.836 1.00 64.14 C ATOM 0 H VAL A 93 9.325 -21.721 -14.601 1.00 34.20 H new ATOM 0 HA VAL A 93 11.858 -21.833 -13.177 1.00 21.11 H new ATOM 0 HB VAL A 93 9.138 -23.022 -12.630 1.00 53.13 H new ATOM 0 HG11 VAL A 93 9.992 -23.221 -10.280 1.00 14.54 H new ATOM 0 HG12 VAL A 93 10.969 -24.178 -11.419 1.00 14.54 H new ATOM 0 HG13 VAL A 93 11.575 -22.615 -10.822 1.00 14.54 H new ATOM 0 HG21 VAL A 93 8.889 -21.173 -10.986 1.00 64.14 H new ATOM 0 HG22 VAL A 93 10.435 -20.489 -11.540 1.00 64.14 H new ATOM 0 HG23 VAL A 93 9.046 -20.564 -12.650 1.00 64.14 H new ATOM 1512 N LYS A 94 12.442 -24.298 -13.474 1.00 3.51 N ATOM 1513 CA LYS A 94 12.894 -25.645 -13.763 1.00 62.22 C ATOM 1514 C LYS A 94 12.481 -26.545 -12.604 1.00 4.01 C ATOM 1515 O LYS A 94 13.038 -26.432 -11.513 1.00 12.24 O ATOM 1516 CB LYS A 94 14.413 -25.650 -13.957 1.00 32.11 C ATOM 1517 CG LYS A 94 14.824 -24.732 -15.113 1.00 33.22 C ATOM 1518 CD LYS A 94 16.337 -24.832 -15.330 1.00 23.23 C ATOM 1519 CE LYS A 94 16.782 -23.896 -16.456 1.00 73.53 C ATOM 1520 NZ LYS A 94 18.230 -24.001 -16.700 1.00 11.24 N ATOM 0 H LYS A 94 13.057 -23.792 -12.837 1.00 3.51 H new ATOM 0 HA LYS A 94 12.442 -26.015 -14.683 1.00 62.22 H new ATOM 0 HB2 LYS A 94 14.901 -25.324 -13.038 1.00 32.11 H new ATOM 0 HB3 LYS A 94 14.754 -26.666 -14.156 1.00 32.11 H new ATOM 0 HG2 LYS A 94 14.296 -25.016 -16.023 1.00 33.22 H new ATOM 0 HG3 LYS A 94 14.545 -23.702 -14.891 1.00 33.22 H new ATOM 0 HD2 LYS A 94 16.860 -24.576 -14.409 1.00 23.23 H new ATOM 0 HD3 LYS A 94 16.608 -25.859 -15.575 1.00 23.23 H new ATOM 0 HE2 LYS A 94 16.239 -24.139 -17.369 1.00 73.53 H new ATOM 0 HE3 LYS A 94 16.528 -22.868 -16.198 1.00 73.53 H new ATOM 0 HZ1 LYS A 94 18.500 -23.355 -17.469 1.00 11.24 H new ATOM 0 HZ2 LYS A 94 18.747 -23.746 -15.835 1.00 11.24 H new ATOM 0 HZ3 LYS A 94 18.467 -24.977 -16.969 1.00 11.24 H new ATOM 1534 N TRP A 95 11.511 -27.436 -12.849 1.00 2.01 N ATOM 1535 CA TRP A 95 11.158 -28.511 -11.933 1.00 52.12 C ATOM 1536 C TRP A 95 12.422 -29.286 -11.552 1.00 54.04 C ATOM 1537 O TRP A 95 13.030 -29.941 -12.397 1.00 20.10 O ATOM 1538 CB TRP A 95 10.147 -29.456 -12.594 1.00 62.54 C ATOM 1539 CG TRP A 95 9.926 -30.751 -11.874 1.00 23.35 C ATOM 1540 CD1 TRP A 95 9.551 -30.893 -10.585 1.00 11.15 C ATOM 1541 CD2 TRP A 95 10.142 -32.103 -12.373 1.00 71.11 C ATOM 1542 NE1 TRP A 95 9.536 -32.228 -10.243 1.00 51.01 N ATOM 1543 CE2 TRP A 95 9.888 -33.023 -11.316 1.00 22.51 C ATOM 1544 CE3 TRP A 95 10.552 -32.641 -13.610 1.00 60.11 C ATOM 1545 CZ2 TRP A 95 10.021 -34.410 -11.486 1.00 12.13 C ATOM 1546 CZ3 TRP A 95 10.657 -34.032 -13.800 1.00 12.54 C ATOM 1547 CH2 TRP A 95 10.369 -34.916 -12.747 1.00 63.13 C ATOM 0 H TRP A 95 10.948 -27.424 -13.699 1.00 2.01 H new ATOM 0 HA TRP A 95 10.706 -28.087 -11.036 1.00 52.12 H new ATOM 0 HB2 TRP A 95 9.192 -28.938 -12.681 1.00 62.54 H new ATOM 0 HB3 TRP A 95 10.485 -29.674 -13.607 1.00 62.54 H new ATOM 0 HD1 TRP A 95 9.300 -30.080 -9.920 1.00 11.15 H new ATOM 0 HE1 TRP A 95 9.296 -32.583 -9.317 1.00 51.01 H new ATOM 0 HE3 TRP A 95 10.790 -31.975 -14.426 1.00 60.11 H new ATOM 0 HZ2 TRP A 95 9.857 -35.080 -10.655 1.00 12.13 H new ATOM 0 HZ3 TRP A 95 10.961 -34.422 -14.760 1.00 12.54 H new ATOM 0 HH2 TRP A 95 10.415 -35.983 -12.908 1.00 63.13 H new ATOM 1558 N ASP A 96 12.811 -29.188 -10.277 1.00 4.24 N ATOM 1559 CA ASP A 96 14.029 -29.778 -9.748 1.00 32.23 C ATOM 1560 C ASP A 96 13.792 -31.260 -9.448 1.00 13.41 C ATOM 1561 O ASP A 96 13.531 -31.633 -8.306 1.00 44.35 O ATOM 1562 CB ASP A 96 14.469 -28.999 -8.500 1.00 23.23 C ATOM 1563 CG ASP A 96 14.710 -27.520 -8.807 1.00 61.42 C ATOM 1564 OD1 ASP A 96 13.958 -26.691 -8.249 1.00 34.54 O ATOM 1565 OD2 ASP A 96 15.638 -27.244 -9.598 1.00 3.20 O ATOM 0 H ASP A 96 12.271 -28.683 -9.574 1.00 4.24 H new ATOM 0 HA ASP A 96 14.833 -29.715 -10.481 1.00 32.23 H new ATOM 0 HB2 ASP A 96 13.706 -29.090 -7.727 1.00 23.23 H new ATOM 0 HB3 ASP A 96 15.382 -29.440 -8.100 1.00 23.23 H new ATOM 1570 N ARG A 97 13.888 -32.105 -10.484 1.00 41.41 N ATOM 1571 CA ARG A 97 13.666 -33.541 -10.369 1.00 72.43 C ATOM 1572 C ARG A 97 14.737 -34.250 -9.533 1.00 23.23 C ATOM 1573 O ARG A 97 14.484 -35.342 -9.028 1.00 14.21 O ATOM 1574 CB ARG A 97 13.507 -34.179 -11.758 1.00 24.41 C ATOM 1575 CG ARG A 97 14.797 -34.550 -12.502 1.00 4.14 C ATOM 1576 CD ARG A 97 15.672 -33.344 -12.859 1.00 31.42 C ATOM 1577 NE ARG A 97 16.807 -33.745 -13.701 1.00 5.22 N ATOM 1578 CZ ARG A 97 17.890 -34.423 -13.278 1.00 4.05 C ATOM 1579 NH1 ARG A 97 18.027 -34.781 -11.993 1.00 72.34 N ATOM 1580 NH2 ARG A 97 18.847 -34.748 -14.157 1.00 73.11 N ATOM 0 H ARG A 97 14.124 -31.803 -11.429 1.00 41.41 H new ATOM 0 HA ARG A 97 12.732 -33.675 -9.823 1.00 72.43 H new ATOM 0 HB2 ARG A 97 12.906 -35.082 -11.650 1.00 24.41 H new ATOM 0 HB3 ARG A 97 12.940 -33.491 -12.385 1.00 24.41 H new ATOM 0 HG2 ARG A 97 15.376 -35.238 -11.886 1.00 4.14 H new ATOM 0 HG3 ARG A 97 14.538 -35.083 -13.417 1.00 4.14 H new ATOM 0 HD2 ARG A 97 15.073 -32.598 -13.382 1.00 31.42 H new ATOM 0 HD3 ARG A 97 16.040 -32.875 -11.947 1.00 31.42 H new ATOM 0 HE ARG A 97 16.771 -33.488 -14.688 1.00 5.22 H new ATOM 0 HH11 ARG A 97 17.303 -34.540 -11.316 1.00 72.34 H new ATOM 0 HH12 ARG A 97 18.855 -35.295 -11.692 1.00 72.34 H new ATOM 0 HH21 ARG A 97 18.751 -34.482 -15.137 1.00 73.11 H new ATOM 0 HH22 ARG A 97 19.672 -35.262 -13.846 1.00 73.11 H new