USER MOD reduce.3.24.130724 H: found=0, std=0, add=1277, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1277 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 63 LYS NZ :NH3+ 128:sc= 1.16 (180deg=-0.916) USER MOD Set 1.2: A 125 TYR OH : rot 23:sc= -1.23 USER MOD Set 2.1: A 37 THR OG1 : rot -78:sc= -0.333 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -1.36 K(o=-1.1,f=-3.3) USER MOD Set 2.3: A 134 GLN :FLIP amide:sc= 0.589 F(o=-3.3!,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.122 (180deg=-0.45!) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.124 (180deg=-0.618) USER MOD Single : A 8 GLN : amide:sc= -0.259 K(o=-0.26,f=-0.84) USER MOD Single : A 10 SER OG : rot 6:sc= 0.43 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 26 THR OG1 : rot 52:sc= 0.487 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 38:sc= 1.08 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0444 (180deg=-0.294) USER MOD Single : A 45 ASN : amide:sc= 0.395 X(o=0.39,f=-0.086) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0.673 (180deg=0.607) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0243) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.706 K(o=-0.71,f=-5.3!) USER MOD Single : A 58 HIS : no HD1:sc= 0.967 K(o=0.97,f=-3.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -2.24! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0857 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.214 F(o=-0.77,f=-0.21) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 104 THR OG1 : rot 34:sc= 0.0893 USER MOD Single : A 113 GLN :FLIP amide:sc= -0.0834 F(o=-0.94,f=-0.083) USER MOD Single : A 117 LYS NZ :NH3+ -108:sc= -1.2! (180deg=-1.46!) USER MOD Single : A 123 MET CE :methyl -156:sc= -0.247 (180deg=-1.04) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -169:sc= -0.318 (180deg=-0.547) USER MOD Single : A 129 GLN : amide:sc= -0.436 K(o=-0.44,f=-2) USER MOD Single : A 130 LYS NZ :NH3+ 178:sc= 1.02 (180deg=0.832) USER MOD Single : A 135 GLN : amide:sc= 0.613 K(o=0.61,f=-4.6!) USER MOD Single : A 139 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7) USER MOD Single : A 141 SER OG : rot -2:sc= 0.552 USER MOD Single : A 144 THR OG1 : rot -21:sc= 0.482 USER MOD Single : A 145 SER OG : rot 91:sc= 0.837 USER MOD Single : A 150 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.27) USER MOD Single : A 151 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.044) USER MOD Single : A 152 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 153 HIS :FLIP no HD1:sc= -0.354 F(o=-1.6,f=-0.35) USER MOD Single : A 154 HIS : no HE2:sc= -0.0515 K(o=-0.051,f=-2.5) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.689 13.945 -3.946 1.00 31.30 N ATOM 2 CA MET A 1 -22.110 13.981 -2.520 1.00 41.45 C ATOM 3 C MET A 1 -21.511 15.197 -1.802 1.00 2.43 C ATOM 4 O MET A 1 -20.320 15.474 -1.929 1.00 3.54 O ATOM 5 CB MET A 1 -21.691 12.685 -1.811 1.00 44.22 C ATOM 6 CG MET A 1 -22.366 11.442 -2.375 1.00 0.03 C ATOM 7 SD MET A 1 -22.053 11.228 -4.140 1.00 44.24 S ATOM 8 CE MET A 1 -23.086 9.806 -4.496 1.00 62.43 C ATOM 0 H1 MET A 1 -21.855 12.994 -4.333 1.00 31.30 H new ATOM 0 H2 MET A 1 -22.240 14.640 -4.488 1.00 31.30 H new ATOM 0 H3 MET A 1 -20.677 14.176 -4.015 1.00 31.30 H new ATOM 0 HA MET A 1 -23.196 14.068 -2.487 1.00 41.45 H new ATOM 0 HB2 MET A 1 -20.610 12.570 -1.890 1.00 44.22 H new ATOM 0 HB3 MET A 1 -21.926 12.768 -0.750 1.00 44.22 H new ATOM 0 HG2 MET A 1 -22.011 10.563 -1.837 1.00 0.03 H new ATOM 0 HG3 MET A 1 -23.441 11.507 -2.205 1.00 0.03 H new ATOM 0 HE1 MET A 1 -23.001 9.550 -5.552 1.00 62.43 H new ATOM 0 HE2 MET A 1 -22.762 8.960 -3.890 1.00 62.43 H new ATOM 0 HE3 MET A 1 -24.124 10.043 -4.263 1.00 62.43 H new ATOM 20 N GLY A 2 -22.341 15.916 -1.049 1.00 54.45 N ATOM 21 CA GLY A 2 -21.891 17.132 -0.377 1.00 3.50 C ATOM 22 C GLY A 2 -21.862 18.343 -1.308 1.00 35.30 C ATOM 23 O GLY A 2 -22.530 18.357 -2.344 1.00 35.20 O ATOM 0 H GLY A 2 -23.320 15.680 -0.890 1.00 54.45 H new ATOM 0 HA2 GLY A 2 -22.550 17.342 0.465 1.00 3.50 H new ATOM 0 HA3 GLY A 2 -20.894 16.969 0.032 1.00 3.50 H new ATOM 27 N PHE A 3 -21.087 19.361 -0.943 1.00 32.21 N ATOM 28 CA PHE A 3 -20.982 20.582 -1.752 1.00 60.42 C ATOM 29 C PHE A 3 -19.558 20.777 -2.289 1.00 23.34 C ATOM 30 O PHE A 3 -18.577 20.373 -1.661 1.00 20.55 O ATOM 31 CB PHE A 3 -21.431 21.801 -0.936 1.00 71.44 C ATOM 32 CG PHE A 3 -22.894 21.761 -0.573 1.00 23.41 C ATOM 33 CD1 PHE A 3 -23.853 22.284 -1.432 1.00 53.12 C ATOM 34 CD2 PHE A 3 -23.313 21.195 0.621 1.00 55.13 C ATOM 35 CE1 PHE A 3 -25.194 22.240 -1.105 1.00 31.21 C ATOM 36 CE2 PHE A 3 -24.652 21.152 0.952 1.00 74.12 C ATOM 37 CZ PHE A 3 -25.594 21.674 0.090 1.00 0.22 C ATOM 0 H PHE A 3 -20.521 19.369 -0.094 1.00 32.21 H new ATOM 0 HA PHE A 3 -21.644 20.476 -2.612 1.00 60.42 H new ATOM 0 HB2 PHE A 3 -20.837 21.859 -0.024 1.00 71.44 H new ATOM 0 HB3 PHE A 3 -21.229 22.708 -1.506 1.00 71.44 H new ATOM 0 HD1 PHE A 3 -23.546 22.730 -2.366 1.00 53.12 H new ATOM 0 HD2 PHE A 3 -22.582 20.782 1.301 1.00 55.13 H new ATOM 0 HE1 PHE A 3 -25.929 22.648 -1.783 1.00 31.21 H new ATOM 0 HE2 PHE A 3 -24.963 20.709 1.887 1.00 74.12 H new ATOM 0 HZ PHE A 3 -26.642 21.640 0.349 1.00 0.22 H new ATOM 47 N LYS A 4 -19.458 21.418 -3.449 1.00 31.15 N ATOM 48 CA LYS A 4 -18.191 21.528 -4.180 1.00 2.14 C ATOM 49 C LYS A 4 -17.348 22.724 -3.699 1.00 22.33 C ATOM 50 O LYS A 4 -17.243 23.741 -4.386 1.00 43.25 O ATOM 51 CB LYS A 4 -18.488 21.648 -5.682 1.00 43.13 C ATOM 52 CG LYS A 4 -19.448 20.574 -6.190 1.00 13.32 C ATOM 53 CD LYS A 4 -19.911 20.843 -7.621 1.00 1.14 C ATOM 54 CE LYS A 4 -20.998 19.862 -8.050 1.00 63.42 C ATOM 55 NZ LYS A 4 -22.171 19.896 -7.133 1.00 12.52 N ATOM 0 H LYS A 4 -20.245 21.875 -3.910 1.00 31.15 H new ATOM 0 HA LYS A 4 -17.604 20.630 -3.987 1.00 2.14 H new ATOM 0 HB2 LYS A 4 -18.912 22.631 -5.885 1.00 43.13 H new ATOM 0 HB3 LYS A 4 -17.553 21.583 -6.238 1.00 43.13 H new ATOM 0 HG2 LYS A 4 -18.958 19.601 -6.145 1.00 13.32 H new ATOM 0 HG3 LYS A 4 -20.316 20.525 -5.532 1.00 13.32 H new ATOM 0 HD2 LYS A 4 -20.289 21.863 -7.697 1.00 1.14 H new ATOM 0 HD3 LYS A 4 -19.062 20.767 -8.300 1.00 1.14 H new ATOM 0 HE2 LYS A 4 -21.322 20.100 -9.063 1.00 63.42 H new ATOM 0 HE3 LYS A 4 -20.587 18.853 -8.076 1.00 63.42 H new ATOM 0 HZ1 LYS A 4 -23.001 19.496 -7.616 1.00 12.52 H new ATOM 0 HZ2 LYS A 4 -21.962 19.337 -6.281 1.00 12.52 H new ATOM 0 HZ3 LYS A 4 -22.370 20.880 -6.861 1.00 12.52 H new ATOM 69 N LEU A 5 -16.768 22.599 -2.505 1.00 60.12 N ATOM 70 CA LEU A 5 -15.888 23.641 -1.944 1.00 0.01 C ATOM 71 C LEU A 5 -14.407 23.242 -2.041 1.00 14.03 C ATOM 72 O LEU A 5 -13.621 23.886 -2.740 1.00 15.34 O ATOM 73 CB LEU A 5 -16.247 23.934 -0.472 1.00 45.13 C ATOM 74 CG LEU A 5 -17.518 24.772 -0.235 1.00 33.14 C ATOM 75 CD1 LEU A 5 -17.422 26.115 -0.951 1.00 40.21 C ATOM 76 CD2 LEU A 5 -18.771 24.013 -0.663 1.00 23.10 C ATOM 0 H LEU A 5 -16.888 21.786 -1.901 1.00 60.12 H new ATOM 0 HA LEU A 5 -16.044 24.542 -2.537 1.00 0.01 H new ATOM 0 HB2 LEU A 5 -16.362 22.983 0.048 1.00 45.13 H new ATOM 0 HB3 LEU A 5 -15.405 24.450 -0.010 1.00 45.13 H new ATOM 0 HG LEU A 5 -17.597 24.962 0.835 1.00 33.14 H new ATOM 0 HD11 LEU A 5 -18.330 26.690 -0.770 1.00 40.21 H new ATOM 0 HD12 LEU A 5 -16.562 26.668 -0.574 1.00 40.21 H new ATOM 0 HD13 LEU A 5 -17.306 25.949 -2.022 1.00 40.21 H new ATOM 0 HD21 LEU A 5 -19.650 24.631 -0.483 1.00 23.10 H new ATOM 0 HD22 LEU A 5 -18.707 23.774 -1.725 1.00 23.10 H new ATOM 0 HD23 LEU A 5 -18.852 23.091 -0.088 1.00 23.10 H new ATOM 88 N ARG A 6 -14.032 22.177 -1.332 1.00 72.13 N ATOM 89 CA ARG A 6 -12.637 21.728 -1.283 1.00 62.11 C ATOM 90 C ARG A 6 -12.164 21.162 -2.636 1.00 15.05 C ATOM 91 O ARG A 6 -12.435 20.007 -2.974 1.00 32.04 O ATOM 92 CB ARG A 6 -12.466 20.681 -0.169 1.00 31.21 C ATOM 93 CG ARG A 6 -11.060 20.090 -0.072 1.00 41.32 C ATOM 94 CD ARG A 6 -10.925 19.143 1.116 1.00 24.33 C ATOM 95 NE ARG A 6 -9.652 18.426 1.110 1.00 61.02 N ATOM 96 CZ ARG A 6 -9.085 17.921 2.175 1.00 74.32 C ATOM 97 NH1 ARG A 6 -9.627 18.058 3.347 1.00 3.21 N ATOM 98 NH2 ARG A 6 -7.980 17.265 2.063 1.00 22.55 N ATOM 0 H ARG A 6 -14.675 21.607 -0.782 1.00 72.13 H new ATOM 0 HA ARG A 6 -12.014 22.595 -1.064 1.00 62.11 H new ATOM 0 HB2 ARG A 6 -12.722 21.139 0.786 1.00 31.21 H new ATOM 0 HB3 ARG A 6 -13.177 19.872 -0.335 1.00 31.21 H new ATOM 0 HG2 ARG A 6 -10.826 19.554 -0.992 1.00 41.32 H new ATOM 0 HG3 ARG A 6 -10.332 20.896 0.021 1.00 41.32 H new ATOM 0 HD2 ARG A 6 -11.016 19.710 2.042 1.00 24.33 H new ATOM 0 HD3 ARG A 6 -11.745 18.425 1.100 1.00 24.33 H new ATOM 0 HE ARG A 6 -9.174 18.312 0.216 1.00 61.02 H new ATOM 0 HH11 ARG A 6 -10.507 18.565 3.446 1.00 3.21 H new ATOM 0 HH12 ARG A 6 -9.173 17.659 4.169 1.00 3.21 H new ATOM 0 HH21 ARG A 6 -7.551 17.141 1.146 1.00 22.55 H new ATOM 0 HH22 ARG A 6 -7.535 16.870 2.892 1.00 22.55 H new ATOM 112 N GLY A 7 -11.462 21.993 -3.409 1.00 14.24 N ATOM 113 CA GLY A 7 -10.904 21.554 -4.688 1.00 12.10 C ATOM 114 C GLY A 7 -9.448 21.100 -4.581 1.00 43.54 C ATOM 115 O GLY A 7 -8.767 20.926 -5.595 1.00 54.34 O ATOM 0 H GLY A 7 -11.268 22.966 -3.174 1.00 14.24 H new ATOM 0 HA2 GLY A 7 -11.507 20.734 -5.079 1.00 12.10 H new ATOM 0 HA3 GLY A 7 -10.972 22.370 -5.407 1.00 12.10 H new ATOM 119 N GLN A 8 -8.970 20.921 -3.350 1.00 34.42 N ATOM 120 CA GLN A 8 -7.603 20.447 -3.097 1.00 14.33 C ATOM 121 C GLN A 8 -7.606 19.033 -2.490 1.00 74.15 C ATOM 122 O GLN A 8 -8.607 18.586 -1.926 1.00 70.13 O ATOM 123 CB GLN A 8 -6.858 21.441 -2.193 1.00 15.12 C ATOM 124 CG GLN A 8 -7.565 21.752 -0.878 1.00 54.32 C ATOM 125 CD GLN A 8 -6.887 22.869 -0.101 1.00 74.24 C ATOM 126 OE1 GLN A 8 -6.292 23.778 -0.677 1.00 73.21 O ATOM 127 NE2 GLN A 8 -6.942 22.798 1.210 1.00 11.24 N ATOM 0 H GLN A 8 -9.512 21.098 -2.504 1.00 34.42 H new ATOM 0 HA GLN A 8 -7.077 20.387 -4.050 1.00 14.33 H new ATOM 0 HB2 GLN A 8 -5.868 21.041 -1.973 1.00 15.12 H new ATOM 0 HB3 GLN A 8 -6.711 22.372 -2.741 1.00 15.12 H new ATOM 0 HG2 GLN A 8 -8.598 22.032 -1.082 1.00 54.32 H new ATOM 0 HG3 GLN A 8 -7.594 20.852 -0.263 1.00 54.32 H new ATOM 0 HE21 GLN A 8 -7.444 22.031 1.659 1.00 11.24 H new ATOM 0 HE22 GLN A 8 -6.483 23.509 1.779 1.00 11.24 H new ATOM 136 N VAL A 9 -6.474 18.340 -2.604 1.00 41.30 N ATOM 137 CA VAL A 9 -6.405 16.901 -2.310 1.00 71.52 C ATOM 138 C VAL A 9 -6.303 16.564 -0.802 1.00 24.33 C ATOM 139 O VAL A 9 -7.252 16.037 -0.220 1.00 44.42 O ATOM 140 CB VAL A 9 -5.245 16.225 -3.103 1.00 72.04 C ATOM 141 CG1 VAL A 9 -3.929 16.991 -2.952 1.00 73.45 C ATOM 142 CG2 VAL A 9 -5.072 14.762 -2.686 1.00 12.14 C ATOM 0 H VAL A 9 -5.587 18.749 -2.898 1.00 41.30 H new ATOM 0 HA VAL A 9 -7.359 16.491 -2.642 1.00 71.52 H new ATOM 0 HB VAL A 9 -5.520 16.251 -4.158 1.00 72.04 H new ATOM 0 HG11 VAL A 9 -3.147 16.487 -3.520 1.00 73.45 H new ATOM 0 HG12 VAL A 9 -4.054 18.006 -3.329 1.00 73.45 H new ATOM 0 HG13 VAL A 9 -3.647 17.027 -1.900 1.00 73.45 H new ATOM 0 HG21 VAL A 9 -4.256 14.316 -3.255 1.00 12.14 H new ATOM 0 HG22 VAL A 9 -4.842 14.712 -1.622 1.00 12.14 H new ATOM 0 HG23 VAL A 9 -5.994 14.216 -2.884 1.00 12.14 H new ATOM 152 N SER A 10 -5.175 16.873 -0.167 1.00 32.44 N ATOM 153 CA SER A 10 -4.898 16.418 1.210 1.00 24.15 C ATOM 154 C SER A 10 -3.769 17.234 1.844 1.00 55.32 C ATOM 155 O SER A 10 -2.602 17.099 1.472 1.00 63.11 O ATOM 156 CB SER A 10 -4.520 14.926 1.237 1.00 72.41 C ATOM 157 OG SER A 10 -5.617 14.093 0.889 1.00 61.43 O ATOM 0 H SER A 10 -4.431 17.437 -0.578 1.00 32.44 H new ATOM 0 HA SER A 10 -5.812 16.565 1.785 1.00 24.15 H new ATOM 0 HB2 SER A 10 -3.696 14.748 0.546 1.00 72.41 H new ATOM 0 HB3 SER A 10 -4.164 14.660 2.232 1.00 72.41 H new ATOM 0 HG SER A 10 -6.372 14.649 0.603 1.00 61.43 H new ATOM 163 N GLU A 11 -4.126 18.085 2.800 1.00 0.44 N ATOM 164 CA GLU A 11 -3.158 18.960 3.460 1.00 13.12 C ATOM 165 C GLU A 11 -2.919 18.530 4.916 1.00 54.03 C ATOM 166 O GLU A 11 -3.847 18.492 5.732 1.00 63.01 O ATOM 167 CB GLU A 11 -3.644 20.421 3.421 1.00 61.24 C ATOM 168 CG GLU A 11 -3.964 20.951 2.020 1.00 4.02 C ATOM 169 CD GLU A 11 -5.157 20.257 1.371 1.00 41.00 C ATOM 170 OE1 GLU A 11 -6.227 20.172 2.022 1.00 44.34 O ATOM 171 OE2 GLU A 11 -5.023 19.776 0.223 1.00 53.04 O ATOM 0 H GLU A 11 -5.083 18.189 3.138 1.00 0.44 H new ATOM 0 HA GLU A 11 -2.215 18.879 2.920 1.00 13.12 H new ATOM 0 HB2 GLU A 11 -4.536 20.510 4.041 1.00 61.24 H new ATOM 0 HB3 GLU A 11 -2.880 21.056 3.869 1.00 61.24 H new ATOM 0 HG2 GLU A 11 -4.164 22.021 2.081 1.00 4.02 H new ATOM 0 HG3 GLU A 11 -3.089 20.826 1.383 1.00 4.02 H new ATOM 178 N LEU A 12 -1.670 18.210 5.234 1.00 22.11 N ATOM 179 CA LEU A 12 -1.274 17.817 6.594 1.00 21.52 C ATOM 180 C LEU A 12 -0.407 18.906 7.261 1.00 13.53 C ATOM 181 O LEU A 12 0.275 19.669 6.576 1.00 21.40 O ATOM 182 CB LEU A 12 -0.545 16.448 6.575 1.00 41.02 C ATOM 183 CG LEU A 12 0.142 16.052 5.248 1.00 5.12 C ATOM 184 CD1 LEU A 12 1.260 17.024 4.880 1.00 64.31 C ATOM 185 CD2 LEU A 12 0.676 14.621 5.325 1.00 13.13 C ATOM 0 H LEU A 12 -0.901 18.213 4.564 1.00 22.11 H new ATOM 0 HA LEU A 12 -2.178 17.710 7.193 1.00 21.52 H new ATOM 0 HB2 LEU A 12 0.209 16.452 7.362 1.00 41.02 H new ATOM 0 HB3 LEU A 12 -1.268 15.673 6.830 1.00 41.02 H new ATOM 0 HG LEU A 12 -0.610 16.102 4.460 1.00 5.12 H new ATOM 0 HD11 LEU A 12 1.719 16.712 3.942 1.00 64.31 H new ATOM 0 HD12 LEU A 12 0.848 18.027 4.767 1.00 64.31 H new ATOM 0 HD13 LEU A 12 2.013 17.028 5.668 1.00 64.31 H new ATOM 0 HD21 LEU A 12 1.156 14.361 4.382 1.00 13.13 H new ATOM 0 HD22 LEU A 12 1.402 14.547 6.134 1.00 13.13 H new ATOM 0 HD23 LEU A 12 -0.149 13.934 5.514 1.00 13.13 H new ATOM 197 N PRO A 13 -0.450 19.014 8.607 1.00 41.52 N ATOM 198 CA PRO A 13 0.326 20.029 9.357 1.00 22.33 C ATOM 199 C PRO A 13 1.847 19.893 9.161 1.00 53.22 C ATOM 200 O PRO A 13 2.568 20.888 9.060 1.00 23.15 O ATOM 201 CB PRO A 13 -0.054 19.760 10.824 1.00 63.21 C ATOM 202 CG PRO A 13 -1.340 19.001 10.760 1.00 4.21 C ATOM 203 CD PRO A 13 -1.266 18.176 9.505 1.00 11.43 C ATOM 0 HA PRO A 13 0.095 21.038 9.017 1.00 22.33 H new ATOM 0 HB2 PRO A 13 0.719 19.184 11.332 1.00 63.21 H new ATOM 0 HB3 PRO A 13 -0.173 20.691 11.378 1.00 63.21 H new ATOM 0 HG2 PRO A 13 -1.464 18.367 11.638 1.00 4.21 H new ATOM 0 HG3 PRO A 13 -2.193 19.679 10.733 1.00 4.21 H new ATOM 0 HD2 PRO A 13 -0.802 17.207 9.686 1.00 11.43 H new ATOM 0 HD3 PRO A 13 -2.255 17.983 9.090 1.00 11.43 H new ATOM 211 N PHE A 14 2.322 18.654 9.112 1.00 2.35 N ATOM 212 CA PHE A 14 3.748 18.366 8.930 1.00 65.10 C ATOM 213 C PHE A 14 4.067 18.061 7.457 1.00 73.00 C ATOM 214 O PHE A 14 3.620 17.055 6.911 1.00 14.14 O ATOM 215 CB PHE A 14 4.161 17.195 9.837 1.00 45.03 C ATOM 216 CG PHE A 14 3.232 16.004 9.780 1.00 13.44 C ATOM 217 CD1 PHE A 14 2.127 15.927 10.619 1.00 31.54 C ATOM 218 CD2 PHE A 14 3.464 14.959 8.894 1.00 62.10 C ATOM 219 CE1 PHE A 14 1.276 14.839 10.571 1.00 24.40 C ATOM 220 CE2 PHE A 14 2.617 13.872 8.843 1.00 74.30 C ATOM 221 CZ PHE A 14 1.524 13.810 9.683 1.00 10.31 C ATOM 0 H PHE A 14 1.737 17.822 9.196 1.00 2.35 H new ATOM 0 HA PHE A 14 4.322 19.249 9.212 1.00 65.10 H new ATOM 0 HB2 PHE A 14 5.164 16.872 9.559 1.00 45.03 H new ATOM 0 HB3 PHE A 14 4.215 17.550 10.866 1.00 45.03 H new ATOM 0 HD1 PHE A 14 1.931 16.727 11.317 1.00 31.54 H new ATOM 0 HD2 PHE A 14 4.320 14.999 8.236 1.00 62.10 H new ATOM 0 HE1 PHE A 14 0.419 14.793 11.226 1.00 24.40 H new ATOM 0 HE2 PHE A 14 2.809 13.070 8.146 1.00 74.30 H new ATOM 0 HZ PHE A 14 0.862 12.957 9.646 1.00 10.31 H new ATOM 231 N GLU A 15 4.839 18.935 6.815 1.00 5.03 N ATOM 232 CA GLU A 15 5.140 18.791 5.382 1.00 62.02 C ATOM 233 C GLU A 15 6.571 18.291 5.117 1.00 21.25 C ATOM 234 O GLU A 15 7.016 18.247 3.969 1.00 24.02 O ATOM 235 CB GLU A 15 4.908 20.122 4.656 1.00 52.21 C ATOM 236 CG GLU A 15 5.696 21.291 5.232 1.00 50.15 C ATOM 237 CD GLU A 15 5.586 22.539 4.376 1.00 63.55 C ATOM 238 OE1 GLU A 15 4.538 23.222 4.431 1.00 64.34 O ATOM 239 OE2 GLU A 15 6.546 22.837 3.628 1.00 41.33 O ATOM 0 H GLU A 15 5.268 19.748 7.257 1.00 5.03 H new ATOM 0 HA GLU A 15 4.460 18.033 4.993 1.00 62.02 H new ATOM 0 HB2 GLU A 15 5.173 20.002 3.606 1.00 52.21 H new ATOM 0 HB3 GLU A 15 3.845 20.362 4.691 1.00 52.21 H new ATOM 0 HG2 GLU A 15 5.335 21.510 6.237 1.00 50.15 H new ATOM 0 HG3 GLU A 15 6.745 21.008 5.325 1.00 50.15 H new ATOM 246 N ARG A 16 7.287 17.922 6.171 1.00 52.12 N ATOM 247 CA ARG A 16 8.628 17.337 6.037 1.00 12.11 C ATOM 248 C ARG A 16 8.737 16.044 6.860 1.00 52.41 C ATOM 249 O ARG A 16 8.857 16.079 8.087 1.00 43.14 O ATOM 250 CB ARG A 16 9.689 18.349 6.485 1.00 13.24 C ATOM 251 CG ARG A 16 11.127 17.876 6.300 1.00 11.40 C ATOM 252 CD ARG A 16 12.122 18.927 6.777 1.00 51.02 C ATOM 253 NE ARG A 16 13.503 18.537 6.505 1.00 11.32 N ATOM 254 CZ ARG A 16 14.450 19.374 6.178 1.00 44.35 C ATOM 255 NH1 ARG A 16 14.220 20.647 6.145 1.00 62.34 N ATOM 256 NH2 ARG A 16 15.635 18.935 5.900 1.00 2.21 N ATOM 0 H ARG A 16 6.966 18.015 7.135 1.00 52.12 H new ATOM 0 HA ARG A 16 8.799 17.090 4.989 1.00 12.11 H new ATOM 0 HB2 ARG A 16 9.549 19.275 5.927 1.00 13.24 H new ATOM 0 HB3 ARG A 16 9.529 18.584 7.537 1.00 13.24 H new ATOM 0 HG2 ARG A 16 11.281 16.949 6.853 1.00 11.40 H new ATOM 0 HG3 ARG A 16 11.306 17.653 5.248 1.00 11.40 H new ATOM 0 HD2 ARG A 16 11.910 19.876 6.285 1.00 51.02 H new ATOM 0 HD3 ARG A 16 11.995 19.087 7.848 1.00 51.02 H new ATOM 0 HE ARG A 16 13.743 17.548 6.575 1.00 11.32 H new ATOM 0 HH11 ARG A 16 13.293 21.004 6.376 1.00 62.34 H new ATOM 0 HH12 ARG A 16 14.966 21.294 5.888 1.00 62.34 H new ATOM 0 HH21 ARG A 16 15.830 17.934 5.936 1.00 2.21 H new ATOM 0 HH22 ARG A 16 16.374 19.590 5.645 1.00 2.21 H new ATOM 270 N VAL A 17 8.693 14.904 6.177 1.00 53.34 N ATOM 271 CA VAL A 17 8.670 13.600 6.851 1.00 60.42 C ATOM 272 C VAL A 17 9.859 12.712 6.459 1.00 53.12 C ATOM 273 O VAL A 17 10.418 12.832 5.366 1.00 2.13 O ATOM 274 CB VAL A 17 7.355 12.835 6.545 1.00 51.41 C ATOM 275 CG1 VAL A 17 6.144 13.606 7.069 1.00 44.24 C ATOM 276 CG2 VAL A 17 7.218 12.562 5.046 1.00 13.14 C ATOM 0 H VAL A 17 8.672 14.852 5.159 1.00 53.34 H new ATOM 0 HA VAL A 17 8.737 13.814 7.918 1.00 60.42 H new ATOM 0 HB VAL A 17 7.395 11.875 7.060 1.00 51.41 H new ATOM 0 HG11 VAL A 17 5.234 13.051 6.843 1.00 44.24 H new ATOM 0 HG12 VAL A 17 6.233 13.734 8.148 1.00 44.24 H new ATOM 0 HG13 VAL A 17 6.101 14.584 6.590 1.00 44.24 H new ATOM 0 HG21 VAL A 17 6.288 12.025 4.857 1.00 13.14 H new ATOM 0 HG22 VAL A 17 7.207 13.507 4.503 1.00 13.14 H new ATOM 0 HG23 VAL A 17 8.061 11.959 4.708 1.00 13.14 H new ATOM 286 N TYR A 18 10.240 11.823 7.371 1.00 25.45 N ATOM 287 CA TYR A 18 11.274 10.818 7.106 1.00 12.32 C ATOM 288 C TYR A 18 10.648 9.422 7.002 1.00 23.22 C ATOM 289 O TYR A 18 9.782 9.065 7.794 1.00 1.41 O ATOM 290 CB TYR A 18 12.332 10.838 8.219 1.00 44.12 C ATOM 291 CG TYR A 18 13.366 9.730 8.103 1.00 73.13 C ATOM 292 CD1 TYR A 18 14.259 9.694 7.038 1.00 25.32 C ATOM 293 CD2 TYR A 18 13.450 8.723 9.060 1.00 62.44 C ATOM 294 CE1 TYR A 18 15.203 8.689 6.931 1.00 4.32 C ATOM 295 CE2 TYR A 18 14.390 7.717 8.958 1.00 45.21 C ATOM 296 CZ TYR A 18 15.265 7.705 7.894 1.00 53.40 C ATOM 297 OH TYR A 18 16.206 6.705 7.795 1.00 40.31 O ATOM 0 H TYR A 18 9.846 11.775 8.311 1.00 25.45 H new ATOM 0 HA TYR A 18 11.755 11.058 6.158 1.00 12.32 H new ATOM 0 HB2 TYR A 18 12.842 11.801 8.205 1.00 44.12 H new ATOM 0 HB3 TYR A 18 11.832 10.756 9.184 1.00 44.12 H new ATOM 0 HD1 TYR A 18 14.215 10.464 6.282 1.00 25.32 H new ATOM 0 HD2 TYR A 18 12.768 8.729 9.897 1.00 62.44 H new ATOM 0 HE1 TYR A 18 15.889 8.675 6.097 1.00 4.32 H new ATOM 0 HE2 TYR A 18 14.439 6.943 9.709 1.00 45.21 H new ATOM 0 HH TYR A 18 16.115 6.093 8.555 1.00 40.31 H new ATOM 307 N ILE A 19 11.085 8.636 6.025 1.00 72.55 N ATOM 308 CA ILE A 19 10.535 7.291 5.812 1.00 63.33 C ATOM 309 C ILE A 19 11.609 6.203 5.994 1.00 32.20 C ATOM 310 O ILE A 19 12.751 6.360 5.558 1.00 31.45 O ATOM 311 CB ILE A 19 9.907 7.174 4.400 1.00 40.43 C ATOM 312 CG1 ILE A 19 9.321 5.769 4.175 1.00 13.53 C ATOM 313 CG2 ILE A 19 10.936 7.515 3.324 1.00 75.51 C ATOM 314 CD1 ILE A 19 8.713 5.571 2.802 1.00 14.31 C ATOM 0 H ILE A 19 11.817 8.901 5.366 1.00 72.55 H new ATOM 0 HA ILE A 19 9.761 7.136 6.564 1.00 63.33 H new ATOM 0 HB ILE A 19 9.090 7.893 4.329 1.00 40.43 H new ATOM 0 HG12 ILE A 19 10.108 5.030 4.323 1.00 13.53 H new ATOM 0 HG13 ILE A 19 8.558 5.579 4.930 1.00 13.53 H new ATOM 0 HG21 ILE A 19 10.476 7.427 2.340 1.00 75.51 H new ATOM 0 HG22 ILE A 19 11.290 8.536 3.469 1.00 75.51 H new ATOM 0 HG23 ILE A 19 11.778 6.826 3.394 1.00 75.51 H new ATOM 0 HD11 ILE A 19 8.322 4.557 2.720 1.00 14.31 H new ATOM 0 HD12 ILE A 19 7.903 6.285 2.656 1.00 14.31 H new ATOM 0 HD13 ILE A 19 9.476 5.728 2.040 1.00 14.31 H new ATOM 326 N THR A 20 11.238 5.099 6.645 1.00 35.10 N ATOM 327 CA THR A 20 12.174 3.990 6.884 1.00 14.20 C ATOM 328 C THR A 20 11.499 2.617 6.729 1.00 70.53 C ATOM 329 O THR A 20 10.269 2.504 6.734 1.00 43.55 O ATOM 330 CB THR A 20 12.816 4.079 8.290 1.00 41.32 C ATOM 331 OG1 THR A 20 13.678 2.954 8.513 1.00 51.24 O ATOM 332 CG2 THR A 20 11.753 4.137 9.382 1.00 44.31 C ATOM 0 H THR A 20 10.300 4.946 7.016 1.00 35.10 H new ATOM 0 HA THR A 20 12.951 4.086 6.126 1.00 14.20 H new ATOM 0 HB THR A 20 13.400 4.998 8.332 1.00 41.32 H new ATOM 0 HG1 THR A 20 14.080 3.021 9.404 1.00 51.24 H new ATOM 0 HG21 THR A 20 12.236 4.199 10.357 1.00 44.31 H new ATOM 0 HG22 THR A 20 11.125 5.015 9.232 1.00 44.31 H new ATOM 0 HG23 THR A 20 11.137 3.239 9.339 1.00 44.31 H new ATOM 340 N ALA A 21 12.321 1.578 6.593 1.00 33.05 N ATOM 341 CA ALA A 21 11.835 0.209 6.383 1.00 35.35 C ATOM 342 C ALA A 21 12.845 -0.828 6.907 1.00 64.21 C ATOM 343 O ALA A 21 14.058 -0.622 6.814 1.00 30.43 O ATOM 344 CB ALA A 21 11.556 -0.027 4.900 1.00 13.02 C ATOM 0 H ALA A 21 13.337 1.657 6.624 1.00 33.05 H new ATOM 0 HA ALA A 21 10.909 0.089 6.944 1.00 35.35 H new ATOM 0 HB1 ALA A 21 11.196 -1.046 4.755 1.00 13.02 H new ATOM 0 HB2 ALA A 21 10.799 0.678 4.555 1.00 13.02 H new ATOM 0 HB3 ALA A 21 12.473 0.118 4.330 1.00 13.02 H new ATOM 350 N PRO A 22 12.364 -1.959 7.468 1.00 4.11 N ATOM 351 CA PRO A 22 13.241 -3.016 8.015 1.00 50.54 C ATOM 352 C PRO A 22 13.877 -3.898 6.926 1.00 13.30 C ATOM 353 O PRO A 22 14.800 -4.669 7.196 1.00 31.10 O ATOM 354 CB PRO A 22 12.275 -3.840 8.872 1.00 51.22 C ATOM 355 CG PRO A 22 10.963 -3.702 8.177 1.00 20.31 C ATOM 356 CD PRO A 22 10.935 -2.295 7.634 1.00 20.25 C ATOM 0 HA PRO A 22 14.090 -2.601 8.558 1.00 50.54 H new ATOM 0 HB2 PRO A 22 12.586 -4.883 8.932 1.00 51.22 H new ATOM 0 HB3 PRO A 22 12.227 -3.462 9.893 1.00 51.22 H new ATOM 0 HG2 PRO A 22 10.866 -4.433 7.375 1.00 20.31 H new ATOM 0 HG3 PRO A 22 10.135 -3.873 8.865 1.00 20.31 H new ATOM 0 HD2 PRO A 22 10.398 -2.241 6.687 1.00 20.25 H new ATOM 0 HD3 PRO A 22 10.439 -1.610 8.321 1.00 20.25 H new ATOM 364 N ALA A 23 13.377 -3.779 5.697 1.00 53.22 N ATOM 365 CA ALA A 23 13.848 -4.601 4.578 1.00 23.22 C ATOM 366 C ALA A 23 13.577 -3.919 3.228 1.00 43.42 C ATOM 367 O ALA A 23 13.011 -2.826 3.174 1.00 23.34 O ATOM 368 CB ALA A 23 13.178 -5.971 4.627 1.00 55.42 C ATOM 0 H ALA A 23 12.641 -3.118 5.448 1.00 53.22 H new ATOM 0 HA ALA A 23 14.927 -4.724 4.674 1.00 23.22 H new ATOM 0 HB1 ALA A 23 13.531 -6.579 3.794 1.00 55.42 H new ATOM 0 HB2 ALA A 23 13.427 -6.464 5.567 1.00 55.42 H new ATOM 0 HB3 ALA A 23 12.097 -5.850 4.556 1.00 55.42 H new ATOM 374 N GLY A 24 13.975 -4.571 2.139 1.00 74.55 N ATOM 375 CA GLY A 24 13.751 -4.019 0.807 1.00 53.11 C ATOM 376 C GLY A 24 12.343 -4.288 0.268 1.00 23.43 C ATOM 377 O GLY A 24 12.172 -5.018 -0.710 1.00 10.24 O ATOM 0 H GLY A 24 14.450 -5.474 2.152 1.00 74.55 H new ATOM 0 HA2 GLY A 24 13.923 -2.943 0.834 1.00 53.11 H new ATOM 0 HA3 GLY A 24 14.483 -4.442 0.119 1.00 53.11 H new ATOM 381 N LEU A 25 11.326 -3.699 0.903 1.00 52.03 N ATOM 382 CA LEU A 25 9.935 -3.854 0.445 1.00 65.34 C ATOM 383 C LEU A 25 9.600 -2.820 -0.642 1.00 2.22 C ATOM 384 O LEU A 25 9.849 -1.622 -0.469 1.00 73.11 O ATOM 385 CB LEU A 25 8.932 -3.698 1.607 1.00 44.04 C ATOM 386 CG LEU A 25 9.207 -4.536 2.873 1.00 65.35 C ATOM 387 CD1 LEU A 25 10.098 -3.776 3.851 1.00 74.43 C ATOM 388 CD2 LEU A 25 7.897 -4.941 3.546 1.00 41.23 C ATOM 0 H LEU A 25 11.434 -3.113 1.731 1.00 52.03 H new ATOM 0 HA LEU A 25 9.847 -4.861 0.036 1.00 65.34 H new ATOM 0 HB2 LEU A 25 8.903 -2.647 1.894 1.00 44.04 H new ATOM 0 HB3 LEU A 25 7.939 -3.955 1.237 1.00 44.04 H new ATOM 0 HG LEU A 25 9.734 -5.440 2.569 1.00 65.35 H new ATOM 0 HD11 LEU A 25 10.276 -4.390 4.734 1.00 74.43 H new ATOM 0 HD12 LEU A 25 11.050 -3.545 3.372 1.00 74.43 H new ATOM 0 HD13 LEU A 25 9.606 -2.849 4.146 1.00 74.43 H new ATOM 0 HD21 LEU A 25 8.113 -5.531 4.437 1.00 41.23 H new ATOM 0 HD22 LEU A 25 7.342 -4.047 3.829 1.00 41.23 H new ATOM 0 HD23 LEU A 25 7.300 -5.534 2.853 1.00 41.23 H new ATOM 400 N THR A 26 9.025 -3.275 -1.753 1.00 44.40 N ATOM 401 CA THR A 26 8.605 -2.367 -2.831 1.00 14.42 C ATOM 402 C THR A 26 7.347 -1.575 -2.436 1.00 4.22 C ATOM 403 O THR A 26 6.245 -1.835 -2.921 1.00 31.34 O ATOM 404 CB THR A 26 8.340 -3.124 -4.158 1.00 11.31 C ATOM 405 OG1 THR A 26 7.329 -4.125 -3.961 1.00 73.35 O ATOM 406 CG2 THR A 26 9.616 -3.777 -4.684 1.00 21.25 C ATOM 0 H THR A 26 8.838 -4.261 -1.935 1.00 44.40 H new ATOM 0 HA THR A 26 9.431 -1.673 -2.988 1.00 14.42 H new ATOM 0 HB THR A 26 7.995 -2.400 -4.896 1.00 11.31 H new ATOM 0 HG1 THR A 26 6.540 -3.716 -3.548 1.00 73.35 H new ATOM 0 HG21 THR A 26 9.400 -4.300 -5.615 1.00 21.25 H new ATOM 0 HG22 THR A 26 10.369 -3.010 -4.865 1.00 21.25 H new ATOM 0 HG23 THR A 26 9.992 -4.487 -3.947 1.00 21.25 H new ATOM 414 N ILE A 27 7.527 -0.617 -1.531 1.00 62.00 N ATOM 415 CA ILE A 27 6.423 0.217 -1.041 1.00 54.14 C ATOM 416 C ILE A 27 6.918 1.629 -0.675 1.00 63.34 C ATOM 417 O ILE A 27 6.299 2.633 -1.035 1.00 31.24 O ATOM 418 CB ILE A 27 5.732 -0.441 0.192 1.00 31.05 C ATOM 419 CG1 ILE A 27 4.553 0.413 0.694 1.00 20.14 C ATOM 420 CG2 ILE A 27 6.736 -0.692 1.318 1.00 73.21 C ATOM 421 CD1 ILE A 27 3.400 0.501 -0.285 1.00 64.30 C ATOM 0 H ILE A 27 8.432 -0.395 -1.117 1.00 62.00 H new ATOM 0 HA ILE A 27 5.693 0.302 -1.846 1.00 54.14 H new ATOM 0 HB ILE A 27 5.336 -1.404 -0.130 1.00 31.05 H new ATOM 0 HG12 ILE A 27 4.189 -0.004 1.633 1.00 20.14 H new ATOM 0 HG13 ILE A 27 4.912 1.419 0.910 1.00 20.14 H new ATOM 0 HG21 ILE A 27 6.226 -1.151 2.165 1.00 73.21 H new ATOM 0 HG22 ILE A 27 7.522 -1.358 0.963 1.00 73.21 H new ATOM 0 HG23 ILE A 27 7.177 0.255 1.630 1.00 73.21 H new ATOM 0 HD11 ILE A 27 2.609 1.119 0.140 1.00 64.30 H new ATOM 0 HD12 ILE A 27 3.747 0.946 -1.217 1.00 64.30 H new ATOM 0 HD13 ILE A 27 3.013 -0.499 -0.483 1.00 64.30 H new ATOM 433 N GLY A 28 8.052 1.696 0.023 1.00 35.35 N ATOM 434 CA GLY A 28 8.609 2.979 0.443 1.00 50.05 C ATOM 435 C GLY A 28 9.079 3.847 -0.720 1.00 2.20 C ATOM 436 O GLY A 28 8.856 5.057 -0.727 1.00 43.24 O ATOM 0 H GLY A 28 8.598 0.883 0.307 1.00 35.35 H new ATOM 0 HA2 GLY A 28 7.856 3.524 1.012 1.00 50.05 H new ATOM 0 HA3 GLY A 28 9.448 2.800 1.115 1.00 50.05 H new ATOM 440 N SER A 29 9.718 3.220 -1.705 1.00 23.14 N ATOM 441 CA SER A 29 10.251 3.931 -2.879 1.00 72.34 C ATOM 442 C SER A 29 9.189 4.815 -3.549 1.00 72.54 C ATOM 443 O SER A 29 9.422 5.996 -3.814 1.00 24.20 O ATOM 444 CB SER A 29 10.800 2.925 -3.899 1.00 54.14 C ATOM 445 OG SER A 29 11.326 3.573 -5.048 1.00 1.34 O ATOM 0 H SER A 29 9.883 2.214 -1.719 1.00 23.14 H new ATOM 0 HA SER A 29 11.053 4.580 -2.529 1.00 72.34 H new ATOM 0 HB2 SER A 29 11.580 2.323 -3.432 1.00 54.14 H new ATOM 0 HB3 SER A 29 10.006 2.241 -4.199 1.00 54.14 H new ATOM 0 HG SER A 29 11.668 2.901 -5.675 1.00 1.34 H new ATOM 451 N ASP A 30 8.018 4.240 -3.818 1.00 51.33 N ATOM 452 CA ASP A 30 6.920 4.986 -4.441 1.00 21.35 C ATOM 453 C ASP A 30 6.287 5.981 -3.450 1.00 60.24 C ATOM 454 O ASP A 30 5.917 7.094 -3.826 1.00 32.34 O ATOM 455 CB ASP A 30 5.866 4.013 -4.980 1.00 62.03 C ATOM 456 CG ASP A 30 4.831 4.704 -5.851 1.00 0.54 C ATOM 457 OD1 ASP A 30 5.154 5.055 -7.004 1.00 34.10 O ATOM 458 OD2 ASP A 30 3.684 4.887 -5.398 1.00 32.41 O ATOM 0 H ASP A 30 7.803 3.264 -3.616 1.00 51.33 H new ATOM 0 HA ASP A 30 7.326 5.563 -5.272 1.00 21.35 H new ATOM 0 HB2 ASP A 30 6.359 3.231 -5.558 1.00 62.03 H new ATOM 0 HB3 ASP A 30 5.365 3.524 -4.144 1.00 62.03 H new ATOM 463 N LEU A 31 6.188 5.581 -2.178 1.00 54.32 N ATOM 464 CA LEU A 31 5.628 6.447 -1.130 1.00 11.41 C ATOM 465 C LEU A 31 6.393 7.781 -1.040 1.00 62.03 C ATOM 466 O LEU A 31 5.787 8.844 -0.887 1.00 2.33 O ATOM 467 CB LEU A 31 5.648 5.722 0.228 1.00 70.53 C ATOM 468 CG LEU A 31 5.027 6.496 1.409 1.00 53.53 C ATOM 469 CD1 LEU A 31 3.572 6.859 1.119 1.00 11.14 C ATOM 470 CD2 LEU A 31 5.127 5.683 2.701 1.00 34.22 C ATOM 0 H LEU A 31 6.488 4.664 -1.847 1.00 54.32 H new ATOM 0 HA LEU A 31 4.595 6.672 -1.394 1.00 11.41 H new ATOM 0 HB2 LEU A 31 5.120 4.774 0.121 1.00 70.53 H new ATOM 0 HB3 LEU A 31 6.682 5.484 0.477 1.00 70.53 H new ATOM 0 HG LEU A 31 5.590 7.420 1.538 1.00 53.53 H new ATOM 0 HD11 LEU A 31 3.157 7.404 1.967 1.00 11.14 H new ATOM 0 HD12 LEU A 31 3.524 7.484 0.227 1.00 11.14 H new ATOM 0 HD13 LEU A 31 2.995 5.948 0.956 1.00 11.14 H new ATOM 0 HD21 LEU A 31 4.683 6.247 3.521 1.00 34.22 H new ATOM 0 HD22 LEU A 31 4.594 4.740 2.579 1.00 34.22 H new ATOM 0 HD23 LEU A 31 6.175 5.482 2.924 1.00 34.22 H new ATOM 482 N GLU A 32 7.722 7.719 -1.154 1.00 74.41 N ATOM 483 CA GLU A 32 8.559 8.927 -1.174 1.00 73.04 C ATOM 484 C GLU A 32 8.087 9.915 -2.254 1.00 73.24 C ATOM 485 O GLU A 32 8.018 11.125 -2.024 1.00 44.54 O ATOM 486 CB GLU A 32 10.031 8.559 -1.423 1.00 22.42 C ATOM 487 CG GLU A 32 10.656 7.699 -0.332 1.00 54.03 C ATOM 488 CD GLU A 32 12.122 7.389 -0.598 1.00 11.02 C ATOM 489 OE1 GLU A 32 12.964 8.303 -0.458 1.00 45.12 O ATOM 490 OE2 GLU A 32 12.443 6.238 -0.960 1.00 74.51 O ATOM 0 H GLU A 32 8.244 6.846 -1.234 1.00 74.41 H new ATOM 0 HA GLU A 32 8.466 9.407 -0.200 1.00 73.04 H new ATOM 0 HB2 GLU A 32 10.105 8.030 -2.373 1.00 22.42 H new ATOM 0 HB3 GLU A 32 10.611 9.477 -1.523 1.00 22.42 H new ATOM 0 HG2 GLU A 32 10.565 8.211 0.626 1.00 54.03 H new ATOM 0 HG3 GLU A 32 10.101 6.765 -0.248 1.00 54.03 H new ATOM 497 N ARG A 33 7.756 9.387 -3.428 1.00 52.10 N ATOM 498 CA ARG A 33 7.266 10.204 -4.540 1.00 61.01 C ATOM 499 C ARG A 33 5.848 10.722 -4.259 1.00 74.12 C ATOM 500 O ARG A 33 5.552 11.903 -4.442 1.00 41.42 O ATOM 501 CB ARG A 33 7.255 9.380 -5.833 1.00 71.35 C ATOM 502 CG ARG A 33 8.597 8.743 -6.175 1.00 13.32 C ATOM 503 CD ARG A 33 8.499 7.872 -7.423 1.00 54.25 C ATOM 504 NE ARG A 33 9.766 7.227 -7.747 1.00 33.41 N ATOM 505 CZ ARG A 33 9.964 6.504 -8.812 1.00 25.15 C ATOM 506 NH1 ARG A 33 9.006 6.305 -9.661 1.00 51.10 N ATOM 507 NH2 ARG A 33 11.123 5.970 -9.018 1.00 70.31 N ATOM 0 H ARG A 33 7.818 8.391 -3.638 1.00 52.10 H new ATOM 0 HA ARG A 33 7.936 11.056 -4.651 1.00 61.01 H new ATOM 0 HB2 ARG A 33 6.504 8.595 -5.745 1.00 71.35 H new ATOM 0 HB3 ARG A 33 6.949 10.023 -6.658 1.00 71.35 H new ATOM 0 HG2 ARG A 33 9.342 9.523 -6.332 1.00 13.32 H new ATOM 0 HG3 ARG A 33 8.939 8.139 -5.334 1.00 13.32 H new ATOM 0 HD2 ARG A 33 7.734 7.110 -7.273 1.00 54.25 H new ATOM 0 HD3 ARG A 33 8.179 8.484 -8.266 1.00 54.25 H new ATOM 0 HE ARG A 33 10.545 7.350 -7.100 1.00 33.41 H new ATOM 0 HH11 ARG A 33 8.087 6.716 -9.498 1.00 51.10 H new ATOM 0 HH12 ARG A 33 9.171 5.737 -10.492 1.00 51.10 H new ATOM 0 HH21 ARG A 33 11.878 6.116 -8.348 1.00 70.31 H new ATOM 0 HH22 ARG A 33 11.283 5.403 -9.851 1.00 70.31 H new ATOM 521 N VAL A 34 4.979 9.820 -3.810 1.00 64.23 N ATOM 522 CA VAL A 34 3.569 10.139 -3.554 1.00 12.41 C ATOM 523 C VAL A 34 3.395 11.285 -2.540 1.00 23.32 C ATOM 524 O VAL A 34 2.585 12.192 -2.754 1.00 55.52 O ATOM 525 CB VAL A 34 2.807 8.881 -3.067 1.00 43.45 C ATOM 526 CG1 VAL A 34 1.376 9.219 -2.642 1.00 2.23 C ATOM 527 CG2 VAL A 34 2.807 7.814 -4.161 1.00 4.43 C ATOM 0 H VAL A 34 5.227 8.850 -3.613 1.00 64.23 H new ATOM 0 HA VAL A 34 3.147 10.477 -4.501 1.00 12.41 H new ATOM 0 HB VAL A 34 3.323 8.491 -2.190 1.00 43.45 H new ATOM 0 HG11 VAL A 34 0.872 8.312 -2.307 1.00 2.23 H new ATOM 0 HG12 VAL A 34 1.400 9.943 -1.828 1.00 2.23 H new ATOM 0 HG13 VAL A 34 0.835 9.642 -3.489 1.00 2.23 H new ATOM 0 HG21 VAL A 34 2.269 6.933 -3.810 1.00 4.43 H new ATOM 0 HG22 VAL A 34 2.318 8.207 -5.052 1.00 4.43 H new ATOM 0 HG23 VAL A 34 3.834 7.540 -4.402 1.00 4.43 H new ATOM 537 N ILE A 35 4.158 11.247 -1.448 1.00 74.34 N ATOM 538 CA ILE A 35 4.108 12.307 -0.428 1.00 13.02 C ATOM 539 C ILE A 35 4.592 13.660 -0.987 1.00 14.41 C ATOM 540 O ILE A 35 4.129 14.723 -0.567 1.00 13.54 O ATOM 541 CB ILE A 35 4.960 11.932 0.815 1.00 5.32 C ATOM 542 CG1 ILE A 35 4.488 10.594 1.414 1.00 3.22 C ATOM 543 CG2 ILE A 35 4.903 13.039 1.871 1.00 44.42 C ATOM 544 CD1 ILE A 35 5.308 10.128 2.599 1.00 13.40 C ATOM 0 H ILE A 35 4.819 10.497 -1.242 1.00 74.34 H new ATOM 0 HA ILE A 35 3.064 12.405 -0.131 1.00 13.02 H new ATOM 0 HB ILE A 35 5.995 11.821 0.492 1.00 5.32 H new ATOM 0 HG12 ILE A 35 3.447 10.692 1.721 1.00 3.22 H new ATOM 0 HG13 ILE A 35 4.521 9.829 0.639 1.00 3.22 H new ATOM 0 HG21 ILE A 35 5.508 12.752 2.732 1.00 44.42 H new ATOM 0 HG22 ILE A 35 5.290 13.966 1.448 1.00 44.42 H new ATOM 0 HG23 ILE A 35 3.870 13.188 2.187 1.00 44.42 H new ATOM 0 HD11 ILE A 35 4.914 9.180 2.964 1.00 13.40 H new ATOM 0 HD12 ILE A 35 6.346 9.996 2.294 1.00 13.40 H new ATOM 0 HD13 ILE A 35 5.255 10.873 3.393 1.00 13.40 H new ATOM 556 N SER A 36 5.522 13.615 -1.936 1.00 44.52 N ATOM 557 CA SER A 36 6.070 14.837 -2.545 1.00 0.14 C ATOM 558 C SER A 36 5.198 15.345 -3.707 1.00 13.42 C ATOM 559 O SER A 36 5.241 16.527 -4.059 1.00 24.54 O ATOM 560 CB SER A 36 7.498 14.583 -3.048 1.00 41.25 C ATOM 561 OG SER A 36 8.061 15.744 -3.649 1.00 54.44 O ATOM 0 H SER A 36 5.916 12.749 -2.304 1.00 44.52 H new ATOM 0 HA SER A 36 6.080 15.606 -1.773 1.00 0.14 H new ATOM 0 HB2 SER A 36 8.125 14.264 -2.216 1.00 41.25 H new ATOM 0 HB3 SER A 36 7.489 13.767 -3.771 1.00 41.25 H new ATOM 0 HG SER A 36 8.970 15.545 -3.956 1.00 54.44 H new ATOM 567 N THR A 37 4.413 14.451 -4.308 1.00 53.24 N ATOM 568 CA THR A 37 3.562 14.804 -5.459 1.00 43.23 C ATOM 569 C THR A 37 2.096 15.019 -5.050 1.00 72.34 C ATOM 570 O THR A 37 1.553 16.116 -5.201 1.00 63.03 O ATOM 571 CB THR A 37 3.613 13.712 -6.555 1.00 55.12 C ATOM 572 OG1 THR A 37 3.233 12.443 -6.002 1.00 20.41 O ATOM 573 CG2 THR A 37 5.008 13.603 -7.166 1.00 10.11 C ATOM 0 H THR A 37 4.344 13.475 -4.021 1.00 53.24 H new ATOM 0 HA THR A 37 3.961 15.739 -5.852 1.00 43.23 H new ATOM 0 HB THR A 37 2.914 13.996 -7.342 1.00 55.12 H new ATOM 0 HG1 THR A 37 3.986 12.066 -5.501 1.00 20.41 H new ATOM 0 HG21 THR A 37 5.010 12.828 -7.932 1.00 10.11 H new ATOM 0 HG22 THR A 37 5.284 14.557 -7.615 1.00 10.11 H new ATOM 0 HG23 THR A 37 5.727 13.346 -6.388 1.00 10.11 H new ATOM 581 N HIS A 38 1.461 13.968 -4.532 1.00 10.02 N ATOM 582 CA HIS A 38 0.035 14.019 -4.175 1.00 32.32 C ATOM 583 C HIS A 38 -0.245 15.046 -3.066 1.00 0.30 C ATOM 584 O HIS A 38 -1.172 15.844 -3.173 1.00 64.51 O ATOM 585 CB HIS A 38 -0.468 12.629 -3.759 1.00 5.14 C ATOM 586 CG HIS A 38 -0.482 11.634 -4.885 1.00 12.33 C ATOM 587 ND1 HIS A 38 -1.638 11.071 -5.387 1.00 21.20 N ATOM 588 CD2 HIS A 38 0.531 11.092 -5.599 1.00 51.33 C ATOM 589 CE1 HIS A 38 -1.334 10.229 -6.356 1.00 42.32 C ATOM 590 NE2 HIS A 38 -0.026 10.226 -6.504 1.00 62.25 N ATOM 0 H HIS A 38 1.907 13.069 -4.349 1.00 10.02 H new ATOM 0 HA HIS A 38 -0.509 14.341 -5.063 1.00 32.32 H new ATOM 0 HB2 HIS A 38 0.163 12.248 -2.956 1.00 5.14 H new ATOM 0 HB3 HIS A 38 -1.476 12.722 -3.355 1.00 5.14 H new ATOM 0 HD2 HIS A 38 1.583 11.302 -5.478 1.00 51.33 H new ATOM 0 HE1 HIS A 38 -2.037 9.643 -6.929 1.00 42.32 H new ATOM 0 HE2 HIS A 38 0.491 9.668 -7.184 1.00 62.25 H new ATOM 599 N THR A 39 0.551 15.027 -2.002 1.00 40.22 N ATOM 600 CA THR A 39 0.391 15.999 -0.912 1.00 34.05 C ATOM 601 C THR A 39 1.391 17.154 -1.019 1.00 25.40 C ATOM 602 O THR A 39 2.426 17.050 -1.676 1.00 1.31 O ATOM 603 CB THR A 39 0.535 15.345 0.484 1.00 55.22 C ATOM 604 OG1 THR A 39 1.674 14.468 0.515 1.00 32.01 O ATOM 605 CG2 THR A 39 -0.723 14.572 0.860 1.00 50.51 C ATOM 0 H THR A 39 1.309 14.358 -1.866 1.00 40.22 H new ATOM 0 HA THR A 39 -0.621 16.389 -1.018 1.00 34.05 H new ATOM 0 HB THR A 39 0.680 16.143 1.212 1.00 55.22 H new ATOM 0 HG1 THR A 39 2.407 14.865 -0.001 1.00 32.01 H new ATOM 0 HG21 THR A 39 -0.594 14.123 1.845 1.00 50.51 H new ATOM 0 HG22 THR A 39 -1.575 15.251 0.880 1.00 50.51 H new ATOM 0 HG23 THR A 39 -0.901 13.788 0.125 1.00 50.51 H new ATOM 613 N ARG A 40 1.074 18.253 -0.343 1.00 41.05 N ATOM 614 CA ARG A 40 1.913 19.457 -0.346 1.00 72.33 C ATOM 615 C ARG A 40 3.110 19.302 0.620 1.00 51.42 C ATOM 616 O ARG A 40 3.468 20.233 1.345 1.00 31.10 O ATOM 617 CB ARG A 40 1.036 20.662 0.056 1.00 32.32 C ATOM 618 CG ARG A 40 1.630 22.031 -0.275 1.00 4.41 C ATOM 619 CD ARG A 40 1.806 22.235 -1.778 1.00 55.31 C ATOM 620 NE ARG A 40 2.119 23.625 -2.111 1.00 63.30 N ATOM 621 CZ ARG A 40 2.776 24.000 -3.177 1.00 31.22 C ATOM 622 NH1 ARG A 40 3.282 23.121 -3.987 1.00 34.03 N ATOM 623 NH2 ARG A 40 2.937 25.260 -3.422 1.00 23.20 N ATOM 0 H ARG A 40 0.230 18.339 0.223 1.00 41.05 H new ATOM 0 HA ARG A 40 2.324 19.614 -1.343 1.00 72.33 H new ATOM 0 HB2 ARG A 40 0.070 20.572 -0.441 1.00 32.32 H new ATOM 0 HB3 ARG A 40 0.848 20.614 1.129 1.00 32.32 H new ATOM 0 HG2 ARG A 40 0.982 22.812 0.123 1.00 4.41 H new ATOM 0 HG3 ARG A 40 2.596 22.135 0.220 1.00 4.41 H new ATOM 0 HD2 ARG A 40 2.604 21.587 -2.140 1.00 55.31 H new ATOM 0 HD3 ARG A 40 0.893 21.936 -2.294 1.00 55.31 H new ATOM 0 HE ARG A 40 1.803 24.351 -1.468 1.00 63.30 H new ATOM 0 HH11 ARG A 40 3.169 22.126 -3.795 1.00 34.03 H new ATOM 0 HH12 ARG A 40 3.793 23.426 -4.816 1.00 34.03 H new ATOM 0 HH21 ARG A 40 2.552 25.957 -2.784 1.00 23.20 H new ATOM 0 HH22 ARG A 40 3.449 25.557 -4.253 1.00 23.20 H new ATOM 637 N ALA A 41 3.755 18.133 0.585 1.00 62.12 N ATOM 638 CA ALA A 41 4.818 17.789 1.539 1.00 24.10 C ATOM 639 C ALA A 41 6.129 17.387 0.834 1.00 13.41 C ATOM 640 O ALA A 41 6.248 17.470 -0.392 1.00 63.02 O ATOM 641 CB ALA A 41 4.337 16.664 2.452 1.00 22.14 C ATOM 0 H ALA A 41 3.559 17.402 -0.099 1.00 62.12 H new ATOM 0 HA ALA A 41 5.037 18.678 2.131 1.00 24.10 H new ATOM 0 HB1 ALA A 41 5.125 16.408 3.160 1.00 22.14 H new ATOM 0 HB2 ALA A 41 3.452 16.991 2.997 1.00 22.14 H new ATOM 0 HB3 ALA A 41 4.090 15.788 1.852 1.00 22.14 H new ATOM 647 N LYS A 42 7.113 16.956 1.624 1.00 63.22 N ATOM 648 CA LYS A 42 8.421 16.550 1.100 1.00 72.01 C ATOM 649 C LYS A 42 9.060 15.463 1.985 1.00 31.33 C ATOM 650 O LYS A 42 8.975 15.517 3.213 1.00 32.21 O ATOM 651 CB LYS A 42 9.346 17.776 1.014 1.00 53.32 C ATOM 652 CG LYS A 42 10.698 17.509 0.352 1.00 51.30 C ATOM 653 CD LYS A 42 10.541 16.998 -1.080 1.00 33.01 C ATOM 654 CE LYS A 42 11.877 16.926 -1.812 1.00 32.50 C ATOM 655 NZ LYS A 42 12.490 18.271 -1.978 1.00 45.33 N ATOM 0 H LYS A 42 7.029 16.878 2.638 1.00 63.22 H new ATOM 0 HA LYS A 42 8.280 16.131 0.104 1.00 72.01 H new ATOM 0 HB2 LYS A 42 8.834 18.563 0.460 1.00 53.32 H new ATOM 0 HB3 LYS A 42 9.518 18.156 2.021 1.00 53.32 H new ATOM 0 HG2 LYS A 42 11.287 18.426 0.348 1.00 51.30 H new ATOM 0 HG3 LYS A 42 11.252 16.777 0.940 1.00 51.30 H new ATOM 0 HD2 LYS A 42 10.083 16.009 -1.064 1.00 33.01 H new ATOM 0 HD3 LYS A 42 9.863 17.654 -1.626 1.00 33.01 H new ATOM 0 HE2 LYS A 42 12.560 16.281 -1.259 1.00 32.50 H new ATOM 0 HE3 LYS A 42 11.731 16.470 -2.791 1.00 32.50 H new ATOM 0 HZ1 LYS A 42 13.227 18.229 -2.710 1.00 45.33 H new ATOM 0 HZ2 LYS A 42 11.758 18.953 -2.262 1.00 45.33 H new ATOM 0 HZ3 LYS A 42 12.914 18.573 -1.077 1.00 45.33 H new ATOM 669 N VAL A 43 9.693 14.475 1.353 1.00 52.04 N ATOM 670 CA VAL A 43 10.348 13.374 2.075 1.00 43.32 C ATOM 671 C VAL A 43 11.874 13.557 2.130 1.00 44.15 C ATOM 672 O VAL A 43 12.512 13.881 1.124 1.00 32.03 O ATOM 673 CB VAL A 43 10.030 12.010 1.413 1.00 54.31 C ATOM 674 CG1 VAL A 43 10.706 10.864 2.165 1.00 54.13 C ATOM 675 CG2 VAL A 43 8.521 11.792 1.336 1.00 73.12 C ATOM 0 H VAL A 43 9.769 14.411 0.338 1.00 52.04 H new ATOM 0 HA VAL A 43 9.955 13.389 3.091 1.00 43.32 H new ATOM 0 HB VAL A 43 10.428 12.024 0.398 1.00 54.31 H new ATOM 0 HG11 VAL A 43 10.466 9.918 1.679 1.00 54.13 H new ATOM 0 HG12 VAL A 43 11.786 11.012 2.159 1.00 54.13 H new ATOM 0 HG13 VAL A 43 10.349 10.844 3.195 1.00 54.13 H new ATOM 0 HG21 VAL A 43 8.316 10.829 0.868 1.00 73.12 H new ATOM 0 HG22 VAL A 43 8.100 11.804 2.341 1.00 73.12 H new ATOM 0 HG23 VAL A 43 8.068 12.587 0.743 1.00 73.12 H new ATOM 685 N VAL A 44 12.455 13.335 3.307 1.00 73.45 N ATOM 686 CA VAL A 44 13.907 13.450 3.501 1.00 25.02 C ATOM 687 C VAL A 44 14.567 12.071 3.687 1.00 62.52 C ATOM 688 O VAL A 44 13.904 11.093 4.039 1.00 63.35 O ATOM 689 CB VAL A 44 14.240 14.350 4.719 1.00 70.33 C ATOM 690 CG1 VAL A 44 13.754 15.778 4.484 1.00 14.42 C ATOM 691 CG2 VAL A 44 13.635 13.780 6.000 1.00 75.33 C ATOM 0 H VAL A 44 11.942 13.072 4.149 1.00 73.45 H new ATOM 0 HA VAL A 44 14.309 13.909 2.598 1.00 25.02 H new ATOM 0 HB VAL A 44 15.323 14.371 4.836 1.00 70.33 H new ATOM 0 HG11 VAL A 44 13.998 16.393 5.351 1.00 14.42 H new ATOM 0 HG12 VAL A 44 14.242 16.188 3.600 1.00 14.42 H new ATOM 0 HG13 VAL A 44 12.674 15.775 4.334 1.00 14.42 H new ATOM 0 HG21 VAL A 44 13.883 14.429 6.840 1.00 75.33 H new ATOM 0 HG22 VAL A 44 12.552 13.720 5.895 1.00 75.33 H new ATOM 0 HG23 VAL A 44 14.038 12.784 6.181 1.00 75.33 H new ATOM 701 N ASN A 45 15.880 12.000 3.457 1.00 50.50 N ATOM 702 CA ASN A 45 16.616 10.728 3.535 1.00 2.40 C ATOM 703 C ASN A 45 17.309 10.556 4.907 1.00 34.35 C ATOM 704 O ASN A 45 18.083 9.620 5.110 1.00 4.25 O ATOM 705 CB ASN A 45 17.654 10.661 2.397 1.00 53.33 C ATOM 706 CG ASN A 45 17.945 9.245 1.906 1.00 63.04 C ATOM 707 OD1 ASN A 45 18.245 9.041 0.736 1.00 11.33 O ATOM 708 ND2 ASN A 45 17.877 8.257 2.778 1.00 53.21 N ATOM 0 H ASN A 45 16.458 12.805 3.215 1.00 50.50 H new ATOM 0 HA ASN A 45 15.902 9.912 3.425 1.00 2.40 H new ATOM 0 HB2 ASN A 45 17.298 11.260 1.558 1.00 53.33 H new ATOM 0 HB3 ASN A 45 18.584 11.114 2.740 1.00 53.33 H new ATOM 0 HD21 ASN A 45 18.076 7.301 2.482 1.00 53.21 H new ATOM 0 HD22 ASN A 45 17.625 8.449 3.748 1.00 53.21 H new ATOM 715 N LYS A 46 17.026 11.461 5.844 1.00 1.44 N ATOM 716 CA LYS A 46 17.593 11.382 7.200 1.00 3.12 C ATOM 717 C LYS A 46 16.658 12.041 8.232 1.00 3.31 C ATOM 718 O LYS A 46 15.934 12.983 7.911 1.00 22.42 O ATOM 719 CB LYS A 46 18.992 12.023 7.254 1.00 52.15 C ATOM 720 CG LYS A 46 19.020 13.539 7.047 1.00 1.33 C ATOM 721 CD LYS A 46 18.714 13.950 5.608 1.00 44.54 C ATOM 722 CE LYS A 46 18.813 15.462 5.424 1.00 40.34 C ATOM 723 NZ LYS A 46 20.170 15.980 5.748 1.00 61.52 N ATOM 0 H LYS A 46 16.408 12.259 5.694 1.00 1.44 H new ATOM 0 HA LYS A 46 17.691 10.327 7.454 1.00 3.12 H new ATOM 0 HB2 LYS A 46 19.442 11.796 8.220 1.00 52.15 H new ATOM 0 HB3 LYS A 46 19.618 11.556 6.493 1.00 52.15 H new ATOM 0 HG2 LYS A 46 18.295 14.005 7.714 1.00 1.33 H new ATOM 0 HG3 LYS A 46 20.002 13.920 7.327 1.00 1.33 H new ATOM 0 HD2 LYS A 46 19.410 13.454 4.931 1.00 44.54 H new ATOM 0 HD3 LYS A 46 17.713 13.615 5.338 1.00 44.54 H new ATOM 0 HE2 LYS A 46 18.565 15.718 4.394 1.00 40.34 H new ATOM 0 HE3 LYS A 46 18.077 15.953 6.061 1.00 40.34 H new ATOM 0 HZ1 LYS A 46 20.221 16.992 5.513 1.00 61.52 H new ATOM 0 HZ2 LYS A 46 20.358 15.851 6.763 1.00 61.52 H new ATOM 0 HZ3 LYS A 46 20.881 15.460 5.195 1.00 61.52 H new ATOM 737 N ALA A 47 16.692 11.548 9.471 1.00 43.41 N ATOM 738 CA ALA A 47 15.762 11.997 10.521 1.00 41.04 C ATOM 739 C ALA A 47 16.323 13.162 11.360 1.00 25.31 C ATOM 740 O ALA A 47 15.690 13.601 12.322 1.00 51.10 O ATOM 741 CB ALA A 47 15.403 10.821 11.424 1.00 21.13 C ATOM 0 H ALA A 47 17.354 10.835 9.777 1.00 43.41 H new ATOM 0 HA ALA A 47 14.868 12.373 10.023 1.00 41.04 H new ATOM 0 HB1 ALA A 47 14.715 11.155 12.200 1.00 21.13 H new ATOM 0 HB2 ALA A 47 14.929 10.039 10.831 1.00 21.13 H new ATOM 0 HB3 ALA A 47 16.308 10.428 11.886 1.00 21.13 H new ATOM 747 N GLU A 48 17.509 13.659 10.996 1.00 5.11 N ATOM 748 CA GLU A 48 18.130 14.794 11.707 1.00 44.23 C ATOM 749 C GLU A 48 17.206 16.024 11.725 1.00 11.43 C ATOM 750 O GLU A 48 17.195 16.798 12.685 1.00 60.32 O ATOM 751 CB GLU A 48 19.469 15.183 11.054 1.00 73.33 C ATOM 752 CG GLU A 48 19.320 15.818 9.672 1.00 34.52 C ATOM 753 CD GLU A 48 20.637 16.307 9.085 1.00 71.31 C ATOM 754 OE1 GLU A 48 21.048 17.444 9.396 1.00 13.44 O ATOM 755 OE2 GLU A 48 21.251 15.571 8.288 1.00 4.14 O ATOM 0 H GLU A 48 18.061 13.299 10.217 1.00 5.11 H new ATOM 0 HA GLU A 48 18.304 14.469 12.733 1.00 44.23 H new ATOM 0 HB2 GLU A 48 19.993 15.879 11.709 1.00 73.33 H new ATOM 0 HB3 GLU A 48 20.093 14.293 10.969 1.00 73.33 H new ATOM 0 HG2 GLU A 48 18.876 15.091 8.992 1.00 34.52 H new ATOM 0 HG3 GLU A 48 18.627 16.657 9.739 1.00 34.52 H new ATOM 762 N LYS A 49 16.432 16.194 10.652 1.00 54.02 N ATOM 763 CA LYS A 49 15.570 17.367 10.490 1.00 45.14 C ATOM 764 C LYS A 49 14.266 16.996 9.761 1.00 42.32 C ATOM 765 O LYS A 49 14.222 16.928 8.528 1.00 54.03 O ATOM 766 CB LYS A 49 16.326 18.461 9.716 1.00 45.23 C ATOM 767 CG LYS A 49 15.622 19.817 9.693 1.00 71.24 C ATOM 768 CD LYS A 49 16.383 20.840 8.847 1.00 71.23 C ATOM 769 CE LYS A 49 17.804 21.072 9.352 1.00 12.03 C ATOM 770 NZ LYS A 49 17.827 21.664 10.716 1.00 34.02 N ATOM 0 H LYS A 49 16.384 15.531 9.878 1.00 54.02 H new ATOM 0 HA LYS A 49 15.305 17.744 11.478 1.00 45.14 H new ATOM 0 HB2 LYS A 49 17.314 18.586 10.159 1.00 45.23 H new ATOM 0 HB3 LYS A 49 16.476 18.126 8.690 1.00 45.23 H new ATOM 0 HG2 LYS A 49 14.614 19.696 9.297 1.00 71.24 H new ATOM 0 HG3 LYS A 49 15.521 20.191 10.712 1.00 71.24 H new ATOM 0 HD2 LYS A 49 16.419 20.497 7.813 1.00 71.23 H new ATOM 0 HD3 LYS A 49 15.840 21.785 8.850 1.00 71.23 H new ATOM 0 HE2 LYS A 49 18.344 20.125 9.360 1.00 12.03 H new ATOM 0 HE3 LYS A 49 18.329 21.733 8.662 1.00 12.03 H new ATOM 0 HZ1 LYS A 49 18.810 21.866 10.990 1.00 34.02 H new ATOM 0 HZ2 LYS A 49 17.277 22.547 10.721 1.00 34.02 H new ATOM 0 HZ3 LYS A 49 17.410 20.993 11.393 1.00 34.02 H new ATOM 784 N SER A 50 13.220 16.727 10.538 1.00 54.15 N ATOM 785 CA SER A 50 11.890 16.392 10.001 1.00 74.03 C ATOM 786 C SER A 50 10.838 16.426 11.117 1.00 52.01 C ATOM 787 O SER A 50 11.158 16.233 12.291 1.00 13.01 O ATOM 788 CB SER A 50 11.887 15.002 9.340 1.00 33.31 C ATOM 789 OG SER A 50 12.184 13.977 10.279 1.00 41.40 O ATOM 0 H SER A 50 13.263 16.733 11.557 1.00 54.15 H new ATOM 0 HA SER A 50 11.644 17.138 9.245 1.00 74.03 H new ATOM 0 HB2 SER A 50 10.912 14.814 8.891 1.00 33.31 H new ATOM 0 HB3 SER A 50 12.619 14.980 8.533 1.00 33.31 H new ATOM 0 HG SER A 50 12.173 13.107 9.828 1.00 41.40 H new ATOM 795 N GLU A 51 9.582 16.680 10.757 1.00 54.04 N ATOM 796 CA GLU A 51 8.500 16.751 11.747 1.00 65.35 C ATOM 797 C GLU A 51 8.106 15.361 12.281 1.00 52.03 C ATOM 798 O GLU A 51 7.868 15.196 13.478 1.00 32.34 O ATOM 799 CB GLU A 51 7.259 17.442 11.159 1.00 13.45 C ATOM 800 CG GLU A 51 7.407 18.946 10.922 1.00 1.11 C ATOM 801 CD GLU A 51 8.205 19.294 9.675 1.00 53.25 C ATOM 802 OE1 GLU A 51 9.443 19.434 9.767 1.00 53.11 O ATOM 803 OE2 GLU A 51 7.590 19.446 8.596 1.00 30.24 O ATOM 0 H GLU A 51 9.285 16.840 9.794 1.00 54.04 H new ATOM 0 HA GLU A 51 8.883 17.340 12.581 1.00 65.35 H new ATOM 0 HB2 GLU A 51 7.010 16.963 10.212 1.00 13.45 H new ATOM 0 HB3 GLU A 51 6.417 17.277 11.831 1.00 13.45 H new ATOM 0 HG2 GLU A 51 6.415 19.392 10.844 1.00 1.11 H new ATOM 0 HG3 GLU A 51 7.891 19.395 11.789 1.00 1.11 H new ATOM 810 N ALA A 52 8.030 14.370 11.392 1.00 71.33 N ATOM 811 CA ALA A 52 7.592 13.019 11.781 1.00 60.35 C ATOM 812 C ALA A 52 8.343 11.913 11.021 1.00 74.50 C ATOM 813 O ALA A 52 9.078 12.180 10.064 1.00 70.25 O ATOM 814 CB ALA A 52 6.088 12.879 11.557 1.00 70.50 C ATOM 0 H ALA A 52 8.263 14.471 10.404 1.00 71.33 H new ATOM 0 HA ALA A 52 7.825 12.894 12.839 1.00 60.35 H new ATOM 0 HB1 ALA A 52 5.769 11.878 11.846 1.00 70.50 H new ATOM 0 HB2 ALA A 52 5.560 13.617 12.161 1.00 70.50 H new ATOM 0 HB3 ALA A 52 5.860 13.042 10.504 1.00 70.50 H new ATOM 820 N ILE A 53 8.145 10.668 11.459 1.00 62.34 N ATOM 821 CA ILE A 53 8.764 9.497 10.821 1.00 53.32 C ATOM 822 C ILE A 53 7.719 8.419 10.475 1.00 12.40 C ATOM 823 O ILE A 53 6.971 7.958 11.340 1.00 22.43 O ATOM 824 CB ILE A 53 9.857 8.866 11.730 1.00 23.20 C ATOM 825 CG1 ILE A 53 11.054 9.822 11.885 1.00 53.22 C ATOM 826 CG2 ILE A 53 10.314 7.512 11.181 1.00 40.10 C ATOM 827 CD1 ILE A 53 12.182 9.257 12.729 1.00 4.10 C ATOM 0 H ILE A 53 7.556 10.440 12.260 1.00 62.34 H new ATOM 0 HA ILE A 53 9.224 9.855 9.900 1.00 53.32 H new ATOM 0 HB ILE A 53 9.421 8.700 12.715 1.00 23.20 H new ATOM 0 HG12 ILE A 53 11.441 10.069 10.896 1.00 53.22 H new ATOM 0 HG13 ILE A 53 10.708 10.753 12.334 1.00 53.22 H new ATOM 0 HG21 ILE A 53 11.078 7.093 11.836 1.00 40.10 H new ATOM 0 HG22 ILE A 53 9.463 6.832 11.135 1.00 40.10 H new ATOM 0 HG23 ILE A 53 10.726 7.645 10.181 1.00 40.10 H new ATOM 0 HD11 ILE A 53 12.989 9.987 12.793 1.00 4.10 H new ATOM 0 HD12 ILE A 53 11.812 9.036 13.730 1.00 4.10 H new ATOM 0 HD13 ILE A 53 12.556 8.342 12.271 1.00 4.10 H new ATOM 839 N ILE A 54 7.677 8.025 9.205 1.00 21.14 N ATOM 840 CA ILE A 54 6.804 6.939 8.747 1.00 65.51 C ATOM 841 C ILE A 54 7.591 5.621 8.629 1.00 34.20 C ATOM 842 O ILE A 54 8.558 5.525 7.866 1.00 1.44 O ATOM 843 CB ILE A 54 6.155 7.277 7.378 1.00 20.14 C ATOM 844 CG1 ILE A 54 5.344 8.585 7.475 1.00 63.41 C ATOM 845 CG2 ILE A 54 5.267 6.124 6.900 1.00 23.24 C ATOM 846 CD1 ILE A 54 4.706 9.014 6.169 1.00 62.14 C ATOM 0 H ILE A 54 8.242 8.444 8.466 1.00 21.14 H new ATOM 0 HA ILE A 54 6.014 6.822 9.489 1.00 65.51 H new ATOM 0 HB ILE A 54 6.950 7.418 6.646 1.00 20.14 H new ATOM 0 HG12 ILE A 54 4.563 8.461 8.225 1.00 63.41 H new ATOM 0 HG13 ILE A 54 6.000 9.382 7.826 1.00 63.41 H new ATOM 0 HG21 ILE A 54 4.822 6.382 5.939 1.00 23.24 H new ATOM 0 HG22 ILE A 54 5.869 5.222 6.791 1.00 23.24 H new ATOM 0 HG23 ILE A 54 4.477 5.947 7.630 1.00 23.24 H new ATOM 0 HD11 ILE A 54 4.154 9.942 6.321 1.00 62.14 H new ATOM 0 HD12 ILE A 54 5.482 9.172 5.420 1.00 62.14 H new ATOM 0 HD13 ILE A 54 4.023 8.237 5.825 1.00 62.14 H new ATOM 858 N GLN A 55 7.173 4.612 9.388 1.00 42.23 N ATOM 859 CA GLN A 55 7.874 3.322 9.423 1.00 21.42 C ATOM 860 C GLN A 55 6.963 2.194 8.914 1.00 41.34 C ATOM 861 O GLN A 55 5.946 1.882 9.530 1.00 54.23 O ATOM 862 CB GLN A 55 8.352 3.041 10.862 1.00 44.21 C ATOM 863 CG GLN A 55 9.309 1.851 11.006 1.00 70.11 C ATOM 864 CD GLN A 55 8.613 0.493 11.017 1.00 21.44 C ATOM 865 OE1 GLN A 55 7.487 0.358 11.485 1.00 71.21 O ATOM 866 NE2 GLN A 55 9.279 -0.521 10.500 1.00 64.30 N ATOM 0 H GLN A 55 6.351 4.658 9.990 1.00 42.23 H new ATOM 0 HA GLN A 55 8.741 3.365 8.764 1.00 21.42 H new ATOM 0 HB2 GLN A 55 8.846 3.934 11.246 1.00 44.21 H new ATOM 0 HB3 GLN A 55 7.479 2.864 11.491 1.00 44.21 H new ATOM 0 HG2 GLN A 55 10.026 1.874 10.186 1.00 70.11 H new ATOM 0 HG3 GLN A 55 9.877 1.964 11.929 1.00 70.11 H new ATOM 0 HE21 GLN A 55 10.214 -0.376 10.119 1.00 64.30 H new ATOM 0 HE22 GLN A 55 8.859 -1.450 10.481 1.00 64.30 H new ATOM 875 N ILE A 56 7.324 1.594 7.782 1.00 22.35 N ATOM 876 CA ILE A 56 6.535 0.497 7.208 1.00 41.40 C ATOM 877 C ILE A 56 7.047 -0.864 7.721 1.00 63.03 C ATOM 878 O ILE A 56 8.203 -1.229 7.522 1.00 32.03 O ATOM 879 CB ILE A 56 6.534 0.564 5.646 1.00 1.51 C ATOM 880 CG1 ILE A 56 5.545 -0.453 5.021 1.00 45.25 C ATOM 881 CG2 ILE A 56 7.942 0.378 5.081 1.00 33.54 C ATOM 882 CD1 ILE A 56 6.058 -1.878 4.927 1.00 35.32 C ATOM 0 H ILE A 56 8.153 1.844 7.243 1.00 22.35 H new ATOM 0 HA ILE A 56 5.501 0.607 7.536 1.00 41.40 H new ATOM 0 HB ILE A 56 6.189 1.561 5.371 1.00 1.51 H new ATOM 0 HG12 ILE A 56 4.627 -0.452 5.609 1.00 45.25 H new ATOM 0 HG13 ILE A 56 5.282 -0.112 4.020 1.00 45.25 H new ATOM 0 HG21 ILE A 56 7.907 0.430 3.993 1.00 33.54 H new ATOM 0 HG22 ILE A 56 8.593 1.165 5.461 1.00 33.54 H new ATOM 0 HG23 ILE A 56 8.331 -0.594 5.386 1.00 33.54 H new ATOM 0 HD11 ILE A 56 5.293 -2.511 4.477 1.00 35.32 H new ATOM 0 HD12 ILE A 56 6.957 -1.901 4.311 1.00 35.32 H new ATOM 0 HD13 ILE A 56 6.292 -2.247 5.926 1.00 35.32 H new ATOM 894 N VAL A 57 6.173 -1.605 8.398 1.00 45.11 N ATOM 895 CA VAL A 57 6.551 -2.881 9.020 1.00 61.25 C ATOM 896 C VAL A 57 6.618 -4.026 7.994 1.00 3.52 C ATOM 897 O VAL A 57 7.663 -4.659 7.824 1.00 35.22 O ATOM 898 CB VAL A 57 5.565 -3.263 10.152 1.00 15.10 C ATOM 899 CG1 VAL A 57 6.033 -4.522 10.878 1.00 54.21 C ATOM 900 CG2 VAL A 57 5.389 -2.102 11.133 1.00 54.05 C ATOM 0 H VAL A 57 5.195 -1.347 8.533 1.00 45.11 H new ATOM 0 HA VAL A 57 7.546 -2.738 9.441 1.00 61.25 H new ATOM 0 HB VAL A 57 4.596 -3.475 9.700 1.00 15.10 H new ATOM 0 HG11 VAL A 57 5.325 -4.771 11.668 1.00 54.21 H new ATOM 0 HG12 VAL A 57 6.092 -5.349 10.171 1.00 54.21 H new ATOM 0 HG13 VAL A 57 7.016 -4.346 11.314 1.00 54.21 H new ATOM 0 HG21 VAL A 57 4.692 -2.393 11.919 1.00 54.05 H new ATOM 0 HG22 VAL A 57 6.353 -1.851 11.576 1.00 54.05 H new ATOM 0 HG23 VAL A 57 4.996 -1.234 10.603 1.00 54.05 H new ATOM 910 N HIS A 58 5.502 -4.298 7.310 1.00 1.25 N ATOM 911 CA HIS A 58 5.461 -5.368 6.302 1.00 42.42 C ATOM 912 C HIS A 58 4.327 -5.160 5.282 1.00 10.13 C ATOM 913 O HIS A 58 3.234 -4.716 5.633 1.00 72.24 O ATOM 914 CB HIS A 58 5.333 -6.752 6.970 1.00 61.42 C ATOM 915 CG HIS A 58 4.073 -6.957 7.766 1.00 63.22 C ATOM 916 ND1 HIS A 58 4.054 -7.020 9.144 1.00 21.42 N ATOM 917 CD2 HIS A 58 2.789 -7.149 7.372 1.00 73.53 C ATOM 918 CE1 HIS A 58 2.823 -7.239 9.559 1.00 11.25 C ATOM 919 NE2 HIS A 58 2.040 -7.320 8.506 1.00 23.42 N ATOM 0 H HIS A 58 4.621 -3.798 7.432 1.00 1.25 H new ATOM 0 HA HIS A 58 6.405 -5.327 5.758 1.00 42.42 H new ATOM 0 HB2 HIS A 58 5.386 -7.519 6.197 1.00 61.42 H new ATOM 0 HB3 HIS A 58 6.189 -6.903 7.627 1.00 61.42 H new ATOM 0 HD2 HIS A 58 2.426 -7.164 6.355 1.00 73.53 H new ATOM 0 HE1 HIS A 58 2.510 -7.335 10.588 1.00 11.25 H new ATOM 0 HE2 HIS A 58 1.034 -7.484 8.530 1.00 23.42 H new ATOM 928 N ALA A 59 4.602 -5.491 4.023 1.00 20.21 N ATOM 929 CA ALA A 59 3.607 -5.417 2.948 1.00 75.55 C ATOM 930 C ALA A 59 3.463 -6.783 2.259 1.00 34.21 C ATOM 931 O ALA A 59 4.275 -7.150 1.409 1.00 45.03 O ATOM 932 CB ALA A 59 3.995 -4.341 1.939 1.00 20.31 C ATOM 0 H ALA A 59 5.518 -5.818 3.716 1.00 20.21 H new ATOM 0 HA ALA A 59 2.643 -5.148 3.381 1.00 75.55 H new ATOM 0 HB1 ALA A 59 3.247 -4.298 1.147 1.00 20.31 H new ATOM 0 HB2 ALA A 59 4.049 -3.375 2.440 1.00 20.31 H new ATOM 0 HB3 ALA A 59 4.967 -4.580 1.507 1.00 20.31 H new ATOM 938 N ILE A 60 2.440 -7.542 2.646 1.00 34.24 N ATOM 939 CA ILE A 60 2.276 -8.925 2.168 1.00 74.30 C ATOM 940 C ILE A 60 1.086 -9.071 1.204 1.00 21.33 C ATOM 941 O ILE A 60 -0.065 -8.856 1.585 1.00 31.33 O ATOM 942 CB ILE A 60 2.081 -9.904 3.358 1.00 44.34 C ATOM 943 CG1 ILE A 60 3.243 -9.782 4.360 1.00 42.33 C ATOM 944 CG2 ILE A 60 1.948 -11.345 2.858 1.00 33.21 C ATOM 945 CD1 ILE A 60 4.602 -10.123 3.775 1.00 20.43 C ATOM 0 H ILE A 60 1.711 -7.230 3.287 1.00 34.24 H new ATOM 0 HA ILE A 60 3.190 -9.173 1.629 1.00 74.30 H new ATOM 0 HB ILE A 60 1.158 -9.635 3.872 1.00 44.34 H new ATOM 0 HG12 ILE A 60 3.271 -8.763 4.746 1.00 42.33 H new ATOM 0 HG13 ILE A 60 3.049 -10.439 5.208 1.00 42.33 H new ATOM 0 HG21 ILE A 60 1.812 -12.014 3.708 1.00 33.21 H new ATOM 0 HG22 ILE A 60 1.087 -11.422 2.194 1.00 33.21 H new ATOM 0 HG23 ILE A 60 2.850 -11.627 2.315 1.00 33.21 H new ATOM 0 HD11 ILE A 60 5.367 -10.013 4.544 1.00 20.43 H new ATOM 0 HD12 ILE A 60 4.595 -11.152 3.415 1.00 20.43 H new ATOM 0 HD13 ILE A 60 4.821 -9.450 2.946 1.00 20.43 H new ATOM 957 N ARG A 61 1.370 -9.442 -0.045 1.00 62.41 N ATOM 958 CA ARG A 61 0.317 -9.699 -1.038 1.00 42.30 C ATOM 959 C ARG A 61 0.167 -11.206 -1.316 1.00 34.22 C ATOM 960 O ARG A 61 1.152 -11.913 -1.530 1.00 52.21 O ATOM 961 CB ARG A 61 0.585 -8.900 -2.333 1.00 31.55 C ATOM 962 CG ARG A 61 2.038 -8.910 -2.836 1.00 34.32 C ATOM 963 CD ARG A 61 2.386 -10.165 -3.635 1.00 23.50 C ATOM 964 NE ARG A 61 3.667 -10.033 -4.330 1.00 34.55 N ATOM 965 CZ ARG A 61 3.976 -10.679 -5.424 1.00 43.12 C ATOM 966 NH1 ARG A 61 3.165 -11.562 -5.921 1.00 71.53 N ATOM 967 NH2 ARG A 61 5.107 -10.453 -6.010 1.00 10.01 N ATOM 0 H ARG A 61 2.319 -9.572 -0.396 1.00 62.41 H new ATOM 0 HA ARG A 61 -0.632 -9.355 -0.627 1.00 42.30 H new ATOM 0 HB2 ARG A 61 -0.055 -9.296 -3.121 1.00 31.55 H new ATOM 0 HB3 ARG A 61 0.284 -7.865 -2.168 1.00 31.55 H new ATOM 0 HG2 ARG A 61 2.207 -8.031 -3.459 1.00 34.32 H new ATOM 0 HG3 ARG A 61 2.712 -8.831 -1.983 1.00 34.32 H new ATOM 0 HD2 ARG A 61 2.424 -11.023 -2.964 1.00 23.50 H new ATOM 0 HD3 ARG A 61 1.598 -10.363 -4.361 1.00 23.50 H new ATOM 0 HE ARG A 61 4.362 -9.398 -3.937 1.00 34.55 H new ATOM 0 HH11 ARG A 61 2.278 -11.757 -5.458 1.00 71.53 H new ATOM 0 HH12 ARG A 61 3.415 -12.061 -6.775 1.00 71.53 H new ATOM 0 HH21 ARG A 61 5.757 -9.771 -5.619 1.00 10.01 H new ATOM 0 HH22 ARG A 61 5.349 -10.957 -6.863 1.00 10.01 H new ATOM 981 N GLU A 62 -1.072 -11.698 -1.301 1.00 72.31 N ATOM 982 CA GLU A 62 -1.334 -13.138 -1.435 1.00 50.12 C ATOM 983 C GLU A 62 -2.613 -13.396 -2.261 1.00 54.13 C ATOM 984 O GLU A 62 -3.663 -12.806 -1.999 1.00 32.12 O ATOM 985 CB GLU A 62 -1.454 -13.760 -0.025 1.00 13.11 C ATOM 986 CG GLU A 62 -0.993 -15.216 0.082 1.00 62.01 C ATOM 987 CD GLU A 62 -1.954 -16.221 -0.540 1.00 22.43 C ATOM 988 OE1 GLU A 62 -2.857 -16.708 0.176 1.00 74.03 O ATOM 989 OE2 GLU A 62 -1.789 -16.549 -1.732 1.00 62.23 O ATOM 0 H GLU A 62 -1.910 -11.126 -1.198 1.00 72.31 H new ATOM 0 HA GLU A 62 -0.506 -13.605 -1.968 1.00 50.12 H new ATOM 0 HB2 GLU A 62 -0.871 -13.158 0.672 1.00 13.11 H new ATOM 0 HB3 GLU A 62 -2.494 -13.700 0.295 1.00 13.11 H new ATOM 0 HG2 GLU A 62 -0.020 -15.314 -0.400 1.00 62.01 H new ATOM 0 HG3 GLU A 62 -0.854 -15.465 1.134 1.00 62.01 H new ATOM 996 N LYS A 63 -2.514 -14.276 -3.260 1.00 54.54 N ATOM 997 CA LYS A 63 -3.654 -14.608 -4.131 1.00 34.43 C ATOM 998 C LYS A 63 -4.243 -15.993 -3.802 1.00 73.01 C ATOM 999 O LYS A 63 -3.864 -17.005 -4.400 1.00 70.34 O ATOM 1000 CB LYS A 63 -3.226 -14.554 -5.611 1.00 72.30 C ATOM 1001 CG LYS A 63 -1.937 -15.323 -5.919 1.00 24.44 C ATOM 1002 CD LYS A 63 -1.709 -15.513 -7.420 1.00 15.31 C ATOM 1003 CE LYS A 63 -1.759 -14.193 -8.187 1.00 11.11 C ATOM 1004 NZ LYS A 63 -1.408 -14.375 -9.621 1.00 43.22 N ATOM 0 H LYS A 63 -1.655 -14.775 -3.490 1.00 54.54 H new ATOM 0 HA LYS A 63 -4.432 -13.866 -3.951 1.00 34.43 H new ATOM 0 HB2 LYS A 63 -4.031 -14.956 -6.226 1.00 72.30 H new ATOM 0 HB3 LYS A 63 -3.093 -13.512 -5.902 1.00 72.30 H new ATOM 0 HG2 LYS A 63 -1.089 -14.789 -5.491 1.00 24.44 H new ATOM 0 HG3 LYS A 63 -1.976 -16.299 -5.435 1.00 24.44 H new ATOM 0 HD2 LYS A 63 -0.741 -15.987 -7.581 1.00 15.31 H new ATOM 0 HD3 LYS A 63 -2.465 -16.190 -7.817 1.00 15.31 H new ATOM 0 HE2 LYS A 63 -2.758 -13.765 -8.109 1.00 11.11 H new ATOM 0 HE3 LYS A 63 -1.070 -13.481 -7.731 1.00 11.11 H new ATOM 0 HZ1 LYS A 63 -2.148 -13.951 -10.216 1.00 43.22 H new ATOM 0 HZ2 LYS A 63 -0.498 -13.911 -9.817 1.00 43.22 H new ATOM 0 HZ3 LYS A 63 -1.332 -15.390 -9.834 1.00 43.22 H new ATOM 1018 N ARG A 64 -5.178 -16.040 -2.855 1.00 24.21 N ATOM 1019 CA ARG A 64 -5.807 -17.314 -2.469 1.00 30.40 C ATOM 1020 C ARG A 64 -7.184 -17.483 -3.124 1.00 12.05 C ATOM 1021 O ARG A 64 -7.735 -16.541 -3.693 1.00 61.31 O ATOM 1022 CB ARG A 64 -5.930 -17.443 -0.941 1.00 3.33 C ATOM 1023 CG ARG A 64 -6.884 -16.455 -0.272 1.00 31.44 C ATOM 1024 CD ARG A 64 -6.237 -15.100 -0.004 1.00 31.23 C ATOM 1025 NE ARG A 64 -7.079 -14.265 0.845 1.00 51.52 N ATOM 1026 CZ ARG A 64 -7.109 -14.342 2.148 1.00 42.12 C ATOM 1027 NH1 ARG A 64 -6.336 -15.163 2.782 1.00 50.21 N ATOM 1028 NH2 ARG A 64 -7.922 -13.601 2.816 1.00 4.20 N ATOM 0 H ARG A 64 -5.517 -15.226 -2.343 1.00 24.21 H new ATOM 0 HA ARG A 64 -5.155 -18.110 -2.829 1.00 30.40 H new ATOM 0 HB2 ARG A 64 -6.259 -18.455 -0.705 1.00 3.33 H new ATOM 0 HB3 ARG A 64 -4.940 -17.319 -0.503 1.00 3.33 H new ATOM 0 HG2 ARG A 64 -7.759 -16.316 -0.906 1.00 31.44 H new ATOM 0 HG3 ARG A 64 -7.236 -16.877 0.669 1.00 31.44 H new ATOM 0 HD2 ARG A 64 -5.268 -15.246 0.474 1.00 31.23 H new ATOM 0 HD3 ARG A 64 -6.053 -14.590 -0.950 1.00 31.23 H new ATOM 0 HE ARG A 64 -7.682 -13.578 0.393 1.00 51.52 H new ATOM 0 HH11 ARG A 64 -5.692 -15.761 2.264 1.00 50.21 H new ATOM 0 HH12 ARG A 64 -6.370 -15.212 3.800 1.00 50.21 H new ATOM 0 HH21 ARG A 64 -8.542 -12.955 2.327 1.00 4.20 H new ATOM 0 HH22 ARG A 64 -7.947 -13.660 3.834 1.00 4.20 H new ATOM 1042 N ILE A 65 -7.737 -18.690 -3.042 1.00 11.01 N ATOM 1043 CA ILE A 65 -9.028 -18.995 -3.665 1.00 72.13 C ATOM 1044 C ILE A 65 -10.218 -18.469 -2.855 1.00 44.40 C ATOM 1045 O ILE A 65 -10.355 -18.735 -1.660 1.00 23.02 O ATOM 1046 CB ILE A 65 -9.198 -20.519 -3.908 1.00 0.04 C ATOM 1047 CG1 ILE A 65 -8.303 -20.963 -5.070 1.00 60.34 C ATOM 1048 CG2 ILE A 65 -10.660 -20.880 -4.189 1.00 43.31 C ATOM 1049 CD1 ILE A 65 -8.605 -20.239 -6.366 1.00 75.41 C ATOM 0 H ILE A 65 -7.313 -19.476 -2.550 1.00 11.01 H new ATOM 0 HA ILE A 65 -9.022 -18.477 -4.624 1.00 72.13 H new ATOM 0 HB ILE A 65 -8.897 -21.045 -3.002 1.00 0.04 H new ATOM 0 HG12 ILE A 65 -7.260 -20.795 -4.802 1.00 60.34 H new ATOM 0 HG13 ILE A 65 -8.423 -22.035 -5.224 1.00 60.34 H new ATOM 0 HG21 ILE A 65 -10.744 -21.954 -4.355 1.00 43.31 H new ATOM 0 HG22 ILE A 65 -11.276 -20.595 -3.336 1.00 43.31 H new ATOM 0 HG23 ILE A 65 -11.002 -20.348 -5.077 1.00 43.31 H new ATOM 0 HD11 ILE A 65 -7.937 -20.599 -7.148 1.00 75.41 H new ATOM 0 HD12 ILE A 65 -9.639 -20.428 -6.656 1.00 75.41 H new ATOM 0 HD13 ILE A 65 -8.457 -19.168 -6.227 1.00 75.41 H new ATOM 1061 N LEU A 66 -11.080 -17.726 -3.540 1.00 50.30 N ATOM 1062 CA LEU A 66 -12.319 -17.209 -2.962 1.00 33.44 C ATOM 1063 C LEU A 66 -13.483 -18.194 -3.177 1.00 75.23 C ATOM 1064 O LEU A 66 -14.161 -18.597 -2.228 1.00 34.53 O ATOM 1065 CB LEU A 66 -12.664 -15.865 -3.620 1.00 61.53 C ATOM 1066 CG LEU A 66 -13.860 -15.117 -3.006 1.00 53.25 C ATOM 1067 CD1 LEU A 66 -13.516 -14.588 -1.614 1.00 41.44 C ATOM 1068 CD2 LEU A 66 -14.320 -13.987 -3.923 1.00 4.21 C ATOM 0 H LEU A 66 -10.940 -17.463 -4.516 1.00 50.30 H new ATOM 0 HA LEU A 66 -12.171 -17.078 -1.890 1.00 33.44 H new ATOM 0 HB2 LEU A 66 -11.788 -15.219 -3.568 1.00 61.53 H new ATOM 0 HB3 LEU A 66 -12.870 -16.039 -4.676 1.00 61.53 H new ATOM 0 HG LEU A 66 -14.684 -15.823 -2.901 1.00 53.25 H new ATOM 0 HD11 LEU A 66 -14.377 -14.063 -1.201 1.00 41.44 H new ATOM 0 HD12 LEU A 66 -13.253 -15.422 -0.963 1.00 41.44 H new ATOM 0 HD13 LEU A 66 -12.672 -13.902 -1.684 1.00 41.44 H new ATOM 0 HD21 LEU A 66 -15.167 -13.472 -3.469 1.00 4.21 H new ATOM 0 HD22 LEU A 66 -13.502 -13.282 -4.070 1.00 4.21 H new ATOM 0 HD23 LEU A 66 -14.620 -14.399 -4.886 1.00 4.21 H new ATOM 1080 N SER A 67 -13.698 -18.584 -4.435 1.00 34.14 N ATOM 1081 CA SER A 67 -14.829 -19.451 -4.801 1.00 14.34 C ATOM 1082 C SER A 67 -14.426 -20.510 -5.836 1.00 10.04 C ATOM 1083 O SER A 67 -13.671 -20.230 -6.770 1.00 44.43 O ATOM 1084 CB SER A 67 -15.984 -18.610 -5.368 1.00 63.24 C ATOM 1085 OG SER A 67 -16.401 -17.614 -4.446 1.00 70.43 O ATOM 0 H SER A 67 -13.106 -18.315 -5.221 1.00 34.14 H new ATOM 0 HA SER A 67 -15.149 -19.961 -3.893 1.00 14.34 H new ATOM 0 HB2 SER A 67 -15.669 -18.138 -6.299 1.00 63.24 H new ATOM 0 HB3 SER A 67 -16.825 -19.260 -5.609 1.00 63.24 H new ATOM 0 HG SER A 67 -17.135 -17.095 -4.835 1.00 70.43 H new ATOM 1091 N LEU A 68 -14.940 -21.725 -5.658 1.00 24.44 N ATOM 1092 CA LEU A 68 -14.729 -22.825 -6.608 1.00 61.22 C ATOM 1093 C LEU A 68 -16.022 -23.122 -7.390 1.00 13.31 C ATOM 1094 O LEU A 68 -17.125 -22.890 -6.892 1.00 63.44 O ATOM 1095 CB LEU A 68 -14.283 -24.094 -5.857 1.00 54.34 C ATOM 1096 CG LEU A 68 -12.949 -23.988 -5.095 1.00 50.52 C ATOM 1097 CD1 LEU A 68 -12.687 -25.258 -4.285 1.00 20.33 C ATOM 1098 CD2 LEU A 68 -11.798 -23.719 -6.063 1.00 60.22 C ATOM 0 H LEU A 68 -15.514 -21.979 -4.854 1.00 24.44 H new ATOM 0 HA LEU A 68 -13.951 -22.525 -7.310 1.00 61.22 H new ATOM 0 HB2 LEU A 68 -15.064 -24.367 -5.148 1.00 54.34 H new ATOM 0 HB3 LEU A 68 -14.206 -24.910 -6.575 1.00 54.34 H new ATOM 0 HG LEU A 68 -13.017 -23.150 -4.401 1.00 50.52 H new ATOM 0 HD11 LEU A 68 -11.740 -25.162 -3.754 1.00 20.33 H new ATOM 0 HD12 LEU A 68 -13.493 -25.403 -3.566 1.00 20.33 H new ATOM 0 HD13 LEU A 68 -12.641 -26.115 -4.957 1.00 20.33 H new ATOM 0 HD21 LEU A 68 -10.864 -23.647 -5.506 1.00 60.22 H new ATOM 0 HD22 LEU A 68 -11.730 -24.535 -6.783 1.00 60.22 H new ATOM 0 HD23 LEU A 68 -11.978 -22.783 -6.591 1.00 60.22 H new ATOM 1110 N SER A 69 -15.887 -23.636 -8.611 1.00 42.24 N ATOM 1111 CA SER A 69 -17.054 -24.048 -9.407 1.00 44.12 C ATOM 1112 C SER A 69 -17.323 -25.544 -9.233 1.00 64.33 C ATOM 1113 O SER A 69 -16.392 -26.356 -9.191 1.00 53.40 O ATOM 1114 CB SER A 69 -16.853 -23.731 -10.896 1.00 32.11 C ATOM 1115 OG SER A 69 -15.776 -24.470 -11.448 1.00 53.42 O ATOM 0 H SER A 69 -14.989 -23.779 -9.073 1.00 42.24 H new ATOM 0 HA SER A 69 -17.913 -23.484 -9.045 1.00 44.12 H new ATOM 0 HB2 SER A 69 -17.768 -23.957 -11.443 1.00 32.11 H new ATOM 0 HB3 SER A 69 -16.664 -22.665 -11.019 1.00 32.11 H new ATOM 0 HG SER A 69 -15.677 -24.245 -12.397 1.00 53.42 H new ATOM 1121 N GLU A 70 -18.599 -25.899 -9.095 1.00 74.11 N ATOM 1122 CA GLU A 70 -19.019 -27.302 -8.975 1.00 41.44 C ATOM 1123 C GLU A 70 -18.377 -27.976 -7.743 1.00 41.51 C ATOM 1124 O GLU A 70 -18.273 -29.202 -7.666 1.00 44.11 O ATOM 1125 CB GLU A 70 -18.663 -28.060 -10.269 1.00 71.52 C ATOM 1126 CG GLU A 70 -19.424 -29.367 -10.462 1.00 73.10 C ATOM 1127 CD GLU A 70 -20.933 -29.169 -10.483 1.00 5.13 C ATOM 1128 OE1 GLU A 70 -21.435 -28.461 -11.384 1.00 40.34 O ATOM 1129 OE2 GLU A 70 -21.628 -29.711 -9.600 1.00 5.44 O ATOM 0 H GLU A 70 -19.369 -25.231 -9.063 1.00 74.11 H new ATOM 0 HA GLU A 70 -20.099 -27.333 -8.832 1.00 41.44 H new ATOM 0 HB2 GLU A 70 -18.859 -27.410 -11.122 1.00 71.52 H new ATOM 0 HB3 GLU A 70 -17.594 -28.273 -10.269 1.00 71.52 H new ATOM 0 HG2 GLU A 70 -19.109 -29.832 -11.396 1.00 73.10 H new ATOM 0 HG3 GLU A 70 -19.163 -30.057 -9.659 1.00 73.10 H new ATOM 1136 N SER A 71 -17.962 -27.153 -6.774 1.00 61.14 N ATOM 1137 CA SER A 71 -17.310 -27.634 -5.544 1.00 12.42 C ATOM 1138 C SER A 71 -16.017 -28.412 -5.840 1.00 64.22 C ATOM 1139 O SER A 71 -15.601 -29.261 -5.048 1.00 32.42 O ATOM 1140 CB SER A 71 -18.273 -28.518 -4.728 1.00 13.24 C ATOM 1141 OG SER A 71 -19.430 -27.797 -4.331 1.00 64.24 O ATOM 0 H SER A 71 -18.066 -26.139 -6.816 1.00 61.14 H new ATOM 0 HA SER A 71 -17.044 -26.752 -4.961 1.00 12.42 H new ATOM 0 HB2 SER A 71 -18.568 -29.382 -5.323 1.00 13.24 H new ATOM 0 HB3 SER A 71 -17.759 -28.899 -3.845 1.00 13.24 H new ATOM 0 HG SER A 71 -20.022 -28.385 -3.817 1.00 64.24 H new ATOM 1147 N GLY A 72 -15.361 -28.106 -6.962 1.00 53.42 N ATOM 1148 CA GLY A 72 -14.153 -28.845 -7.333 1.00 34.13 C ATOM 1149 C GLY A 72 -13.165 -28.064 -8.204 1.00 0.24 C ATOM 1150 O GLY A 72 -11.952 -28.171 -8.014 1.00 52.04 O ATOM 0 H GLY A 72 -15.636 -27.372 -7.614 1.00 53.42 H new ATOM 0 HA2 GLY A 72 -13.643 -29.160 -6.423 1.00 34.13 H new ATOM 0 HA3 GLY A 72 -14.447 -29.751 -7.864 1.00 34.13 H new ATOM 1154 N ARG A 73 -13.665 -27.298 -9.176 1.00 51.44 N ATOM 1155 CA ARG A 73 -12.788 -26.572 -10.111 1.00 33.12 C ATOM 1156 C ARG A 73 -12.467 -25.151 -9.617 1.00 71.42 C ATOM 1157 O ARG A 73 -13.241 -24.543 -8.880 1.00 14.11 O ATOM 1158 CB ARG A 73 -13.417 -26.525 -11.510 1.00 44.02 C ATOM 1159 CG ARG A 73 -13.772 -27.897 -12.100 1.00 32.11 C ATOM 1160 CD ARG A 73 -12.547 -28.796 -12.302 1.00 53.53 C ATOM 1161 NE ARG A 73 -11.978 -29.269 -11.038 1.00 40.32 N ATOM 1162 CZ ARG A 73 -10.984 -30.108 -10.938 1.00 41.20 C ATOM 1163 NH1 ARG A 73 -10.462 -30.645 -11.991 1.00 4.11 N ATOM 1164 NH2 ARG A 73 -10.535 -30.435 -9.769 1.00 10.22 N ATOM 0 H ARG A 73 -14.663 -27.162 -9.340 1.00 51.44 H new ATOM 0 HA ARG A 73 -11.846 -27.118 -10.163 1.00 33.12 H new ATOM 0 HB2 ARG A 73 -14.321 -25.918 -11.467 1.00 44.02 H new ATOM 0 HB3 ARG A 73 -12.727 -26.021 -12.187 1.00 44.02 H new ATOM 0 HG2 ARG A 73 -14.479 -28.399 -11.439 1.00 32.11 H new ATOM 0 HG3 ARG A 73 -14.274 -27.756 -13.057 1.00 32.11 H new ATOM 0 HD2 ARG A 73 -12.828 -29.654 -12.913 1.00 53.53 H new ATOM 0 HD3 ARG A 73 -11.785 -28.246 -12.855 1.00 53.53 H new ATOM 0 HE ARG A 73 -12.389 -28.917 -10.173 1.00 40.32 H new ATOM 0 HH11 ARG A 73 -10.827 -30.414 -12.915 1.00 4.11 H new ATOM 0 HH12 ARG A 73 -9.685 -31.299 -11.898 1.00 4.11 H new ATOM 0 HH21 ARG A 73 -10.958 -30.037 -8.931 1.00 10.22 H new ATOM 0 HH22 ARG A 73 -9.758 -31.091 -9.686 1.00 10.22 H new ATOM 1178 N VAL A 74 -11.313 -24.631 -10.037 1.00 34.43 N ATOM 1179 CA VAL A 74 -10.825 -23.319 -9.582 1.00 3.24 C ATOM 1180 C VAL A 74 -11.529 -22.151 -10.290 1.00 41.12 C ATOM 1181 O VAL A 74 -11.809 -22.217 -11.486 1.00 62.40 O ATOM 1182 CB VAL A 74 -9.295 -23.188 -9.810 1.00 72.54 C ATOM 1183 CG1 VAL A 74 -8.802 -21.787 -9.441 1.00 43.42 C ATOM 1184 CG2 VAL A 74 -8.544 -24.260 -9.021 1.00 15.43 C ATOM 0 H VAL A 74 -10.691 -25.099 -10.697 1.00 34.43 H new ATOM 0 HA VAL A 74 -11.052 -23.265 -8.517 1.00 3.24 H new ATOM 0 HB VAL A 74 -9.093 -23.340 -10.870 1.00 72.54 H new ATOM 0 HG11 VAL A 74 -7.727 -21.723 -9.610 1.00 43.42 H new ATOM 0 HG12 VAL A 74 -9.311 -21.048 -10.059 1.00 43.42 H new ATOM 0 HG13 VAL A 74 -9.016 -21.591 -8.390 1.00 43.42 H new ATOM 0 HG21 VAL A 74 -7.473 -24.154 -9.192 1.00 15.43 H new ATOM 0 HG22 VAL A 74 -8.755 -24.144 -7.958 1.00 15.43 H new ATOM 0 HG23 VAL A 74 -8.868 -25.248 -9.350 1.00 15.43 H new ATOM 1194 N ARG A 75 -11.802 -21.080 -9.537 1.00 54.43 N ATOM 1195 CA ARG A 75 -12.374 -19.852 -10.109 1.00 12.25 C ATOM 1196 C ARG A 75 -11.750 -18.571 -9.516 1.00 13.53 C ATOM 1197 O ARG A 75 -10.614 -18.225 -9.817 1.00 13.53 O ATOM 1198 CB ARG A 75 -13.901 -19.809 -9.934 1.00 54.24 C ATOM 1199 CG ARG A 75 -14.685 -20.582 -10.987 1.00 42.12 C ATOM 1200 CD ARG A 75 -16.152 -20.167 -10.990 1.00 42.11 C ATOM 1201 NE ARG A 75 -16.296 -18.717 -11.122 1.00 24.31 N ATOM 1202 CZ ARG A 75 -17.431 -18.087 -11.228 1.00 3.21 C ATOM 1203 NH1 ARG A 75 -18.552 -18.735 -11.299 1.00 61.15 N ATOM 1204 NH2 ARG A 75 -17.433 -16.797 -11.290 1.00 71.24 N ATOM 0 H ARG A 75 -11.637 -21.037 -8.531 1.00 54.43 H new ATOM 0 HA ARG A 75 -12.135 -19.879 -11.172 1.00 12.25 H new ATOM 0 HB2 ARG A 75 -14.152 -20.206 -8.950 1.00 54.24 H new ATOM 0 HB3 ARG A 75 -14.226 -18.769 -9.950 1.00 54.24 H new ATOM 0 HG2 ARG A 75 -14.251 -20.405 -11.971 1.00 42.12 H new ATOM 0 HG3 ARG A 75 -14.606 -21.651 -10.792 1.00 42.12 H new ATOM 0 HD2 ARG A 75 -16.670 -20.662 -11.811 1.00 42.11 H new ATOM 0 HD3 ARG A 75 -16.628 -20.499 -10.067 1.00 42.11 H new ATOM 0 HE ARG A 75 -15.443 -18.157 -11.132 1.00 24.31 H new ATOM 0 HH11 ARG A 75 -18.554 -19.755 -11.272 1.00 61.15 H new ATOM 0 HH12 ARG A 75 -19.431 -18.225 -11.382 1.00 61.15 H new ATOM 0 HH21 ARG A 75 -16.552 -16.283 -11.256 1.00 71.24 H new ATOM 0 HH22 ARG A 75 -18.315 -16.292 -11.373 1.00 71.24 H new ATOM 1218 N GLU A 76 -12.490 -17.902 -8.633 1.00 21.44 N ATOM 1219 CA GLU A 76 -12.174 -16.522 -8.236 1.00 52.14 C ATOM 1220 C GLU A 76 -10.993 -16.450 -7.252 1.00 23.24 C ATOM 1221 O GLU A 76 -10.943 -17.194 -6.271 1.00 73.21 O ATOM 1222 CB GLU A 76 -13.409 -15.865 -7.596 1.00 55.41 C ATOM 1223 CG GLU A 76 -14.719 -16.098 -8.353 1.00 32.44 C ATOM 1224 CD GLU A 76 -14.693 -15.591 -9.789 1.00 21.21 C ATOM 1225 OE1 GLU A 76 -14.788 -14.366 -9.995 1.00 31.10 O ATOM 1226 OE2 GLU A 76 -14.608 -16.421 -10.719 1.00 11.45 O ATOM 0 H GLU A 76 -13.315 -18.290 -8.176 1.00 21.44 H new ATOM 0 HA GLU A 76 -11.886 -15.987 -9.141 1.00 52.14 H new ATOM 0 HB2 GLU A 76 -13.520 -16.243 -6.580 1.00 55.41 H new ATOM 0 HB3 GLU A 76 -13.235 -14.792 -7.520 1.00 55.41 H new ATOM 0 HG2 GLU A 76 -14.941 -17.165 -8.357 1.00 32.44 H new ATOM 0 HG3 GLU A 76 -15.531 -15.606 -7.817 1.00 32.44 H new ATOM 1233 N PHE A 77 -10.048 -15.548 -7.522 1.00 11.12 N ATOM 1234 CA PHE A 77 -8.937 -15.272 -6.596 1.00 44.23 C ATOM 1235 C PHE A 77 -9.252 -14.067 -5.694 1.00 32.12 C ATOM 1236 O PHE A 77 -9.679 -13.015 -6.177 1.00 54.02 O ATOM 1237 CB PHE A 77 -7.643 -14.966 -7.372 1.00 63.23 C ATOM 1238 CG PHE A 77 -7.027 -16.129 -8.113 1.00 34.42 C ATOM 1239 CD1 PHE A 77 -7.681 -17.348 -8.233 1.00 5.23 C ATOM 1240 CD2 PHE A 77 -5.778 -15.986 -8.701 1.00 53.42 C ATOM 1241 CE1 PHE A 77 -7.102 -18.396 -8.925 1.00 64.04 C ATOM 1242 CE2 PHE A 77 -5.195 -17.031 -9.391 1.00 60.44 C ATOM 1243 CZ PHE A 77 -5.857 -18.239 -9.504 1.00 62.13 C ATOM 0 H PHE A 77 -10.026 -14.992 -8.377 1.00 11.12 H new ATOM 0 HA PHE A 77 -8.804 -16.164 -5.983 1.00 44.23 H new ATOM 0 HB2 PHE A 77 -7.852 -14.173 -8.090 1.00 63.23 H new ATOM 0 HB3 PHE A 77 -6.906 -14.575 -6.671 1.00 63.23 H new ATOM 0 HD1 PHE A 77 -8.653 -17.479 -7.781 1.00 5.23 H new ATOM 0 HD2 PHE A 77 -5.255 -15.045 -8.618 1.00 53.42 H new ATOM 0 HE1 PHE A 77 -7.623 -19.338 -9.013 1.00 64.04 H new ATOM 0 HE2 PHE A 77 -4.222 -16.904 -9.842 1.00 60.44 H new ATOM 0 HZ PHE A 77 -5.403 -19.057 -10.043 1.00 62.13 H new ATOM 1253 N GLU A 78 -9.034 -14.212 -4.389 1.00 0.10 N ATOM 1254 CA GLU A 78 -9.102 -13.071 -3.473 1.00 22.32 C ATOM 1255 C GLU A 78 -7.711 -12.443 -3.313 1.00 70.41 C ATOM 1256 O GLU A 78 -6.868 -12.952 -2.567 1.00 32.45 O ATOM 1257 CB GLU A 78 -9.637 -13.488 -2.093 1.00 42.32 C ATOM 1258 CG GLU A 78 -9.851 -12.304 -1.145 1.00 15.44 C ATOM 1259 CD GLU A 78 -10.092 -12.715 0.302 1.00 62.52 C ATOM 1260 OE1 GLU A 78 -10.886 -13.649 0.537 1.00 73.21 O ATOM 1261 OE2 GLU A 78 -9.485 -12.100 1.210 1.00 10.12 O ATOM 0 H GLU A 78 -8.810 -15.101 -3.942 1.00 0.10 H new ATOM 0 HA GLU A 78 -9.790 -12.342 -3.901 1.00 22.32 H new ATOM 0 HB2 GLU A 78 -10.581 -14.017 -2.221 1.00 42.32 H new ATOM 0 HB3 GLU A 78 -8.938 -14.189 -1.636 1.00 42.32 H new ATOM 0 HG2 GLU A 78 -8.978 -11.653 -1.188 1.00 15.44 H new ATOM 0 HG3 GLU A 78 -10.702 -11.719 -1.494 1.00 15.44 H new ATOM 1268 N LEU A 79 -7.461 -11.356 -4.033 1.00 75.24 N ATOM 1269 CA LEU A 79 -6.173 -10.667 -3.962 1.00 12.43 C ATOM 1270 C LEU A 79 -6.083 -9.822 -2.684 1.00 2.44 C ATOM 1271 O LEU A 79 -6.605 -8.706 -2.628 1.00 43.45 O ATOM 1272 CB LEU A 79 -5.975 -9.777 -5.198 1.00 71.24 C ATOM 1273 CG LEU A 79 -6.132 -10.481 -6.557 1.00 11.00 C ATOM 1274 CD1 LEU A 79 -5.939 -9.486 -7.702 1.00 22.22 C ATOM 1275 CD2 LEU A 79 -5.154 -11.646 -6.681 1.00 34.34 C ATOM 0 H LEU A 79 -8.131 -10.931 -4.673 1.00 75.24 H new ATOM 0 HA LEU A 79 -5.383 -11.418 -3.939 1.00 12.43 H new ATOM 0 HB2 LEU A 79 -6.690 -8.955 -5.150 1.00 71.24 H new ATOM 0 HB3 LEU A 79 -4.979 -9.336 -5.150 1.00 71.24 H new ATOM 0 HG LEU A 79 -7.143 -10.882 -6.619 1.00 11.00 H new ATOM 0 HD11 LEU A 79 -6.054 -10.002 -8.655 1.00 22.22 H new ATOM 0 HD12 LEU A 79 -6.684 -8.694 -7.626 1.00 22.22 H new ATOM 0 HD13 LEU A 79 -4.941 -9.052 -7.642 1.00 22.22 H new ATOM 0 HD21 LEU A 79 -5.284 -12.128 -7.650 1.00 34.34 H new ATOM 0 HD22 LEU A 79 -4.133 -11.275 -6.594 1.00 34.34 H new ATOM 0 HD23 LEU A 79 -5.346 -12.368 -5.888 1.00 34.34 H new ATOM 1287 N VAL A 80 -5.453 -10.372 -1.651 1.00 35.11 N ATOM 1288 CA VAL A 80 -5.296 -9.664 -0.376 1.00 4.34 C ATOM 1289 C VAL A 80 -3.899 -9.032 -0.253 1.00 23.24 C ATOM 1290 O VAL A 80 -2.883 -9.684 -0.501 1.00 10.14 O ATOM 1291 CB VAL A 80 -5.562 -10.600 0.834 1.00 44.01 C ATOM 1292 CG1 VAL A 80 -4.592 -11.782 0.851 1.00 4.10 C ATOM 1293 CG2 VAL A 80 -5.494 -9.823 2.149 1.00 10.41 C ATOM 0 H VAL A 80 -5.041 -11.305 -1.667 1.00 35.11 H new ATOM 0 HA VAL A 80 -6.040 -8.867 -0.364 1.00 4.34 H new ATOM 0 HB VAL A 80 -6.570 -11.001 0.725 1.00 44.01 H new ATOM 0 HG11 VAL A 80 -4.807 -12.416 1.711 1.00 4.10 H new ATOM 0 HG12 VAL A 80 -4.708 -12.361 -0.065 1.00 4.10 H new ATOM 0 HG13 VAL A 80 -3.569 -11.412 0.919 1.00 4.10 H new ATOM 0 HG21 VAL A 80 -5.684 -10.500 2.982 1.00 10.41 H new ATOM 0 HG22 VAL A 80 -4.504 -9.380 2.259 1.00 10.41 H new ATOM 0 HG23 VAL A 80 -6.246 -9.034 2.145 1.00 10.41 H new ATOM 1303 N TYR A 81 -3.857 -7.758 0.123 1.00 72.53 N ATOM 1304 CA TYR A 81 -2.594 -7.036 0.292 1.00 1.32 C ATOM 1305 C TYR A 81 -2.549 -6.345 1.666 1.00 12.23 C ATOM 1306 O TYR A 81 -3.173 -5.301 1.873 1.00 33.10 O ATOM 1307 CB TYR A 81 -2.429 -6.011 -0.845 1.00 3.41 C ATOM 1308 CG TYR A 81 -1.070 -5.325 -0.901 1.00 44.15 C ATOM 1309 CD1 TYR A 81 0.067 -5.922 -0.363 1.00 74.12 C ATOM 1310 CD2 TYR A 81 -0.927 -4.079 -1.506 1.00 2.02 C ATOM 1311 CE1 TYR A 81 1.299 -5.298 -0.423 1.00 23.30 C ATOM 1312 CE2 TYR A 81 0.304 -3.452 -1.572 1.00 63.14 C ATOM 1313 CZ TYR A 81 1.413 -4.065 -1.029 1.00 5.45 C ATOM 1314 OH TYR A 81 2.640 -3.444 -1.093 1.00 55.02 O ATOM 0 H TYR A 81 -4.687 -7.198 0.318 1.00 72.53 H new ATOM 0 HA TYR A 81 -1.767 -7.745 0.247 1.00 1.32 H new ATOM 0 HB2 TYR A 81 -2.605 -6.514 -1.796 1.00 3.41 H new ATOM 0 HB3 TYR A 81 -3.200 -5.248 -0.741 1.00 3.41 H new ATOM 0 HD1 TYR A 81 -0.015 -6.890 0.110 1.00 74.12 H new ATOM 0 HD2 TYR A 81 -1.793 -3.594 -1.931 1.00 2.02 H new ATOM 0 HE1 TYR A 81 2.169 -5.775 0.003 1.00 23.30 H new ATOM 0 HE2 TYR A 81 0.396 -2.486 -2.047 1.00 63.14 H new ATOM 0 HH TYR A 81 2.548 -2.583 -1.553 1.00 55.02 H new ATOM 1324 N ARG A 82 -1.833 -6.955 2.610 1.00 63.12 N ATOM 1325 CA ARG A 82 -1.725 -6.421 3.971 1.00 33.53 C ATOM 1326 C ARG A 82 -0.587 -5.398 4.081 1.00 23.51 C ATOM 1327 O ARG A 82 0.589 -5.767 4.153 1.00 33.50 O ATOM 1328 CB ARG A 82 -1.488 -7.556 4.976 1.00 54.41 C ATOM 1329 CG ARG A 82 -2.619 -8.577 5.042 1.00 55.11 C ATOM 1330 CD ARG A 82 -2.376 -9.602 6.144 1.00 22.12 C ATOM 1331 NE ARG A 82 -3.482 -10.549 6.265 1.00 63.24 N ATOM 1332 CZ ARG A 82 -4.117 -10.796 7.377 1.00 25.23 C ATOM 1333 NH1 ARG A 82 -3.820 -10.158 8.465 1.00 10.12 N ATOM 1334 NH2 ARG A 82 -5.063 -11.678 7.395 1.00 64.24 N ATOM 0 H ARG A 82 -1.317 -7.822 2.458 1.00 63.12 H new ATOM 0 HA ARG A 82 -2.666 -5.921 4.202 1.00 33.53 H new ATOM 0 HB2 ARG A 82 -0.563 -8.071 4.715 1.00 54.41 H new ATOM 0 HB3 ARG A 82 -1.344 -7.125 5.967 1.00 54.41 H new ATOM 0 HG2 ARG A 82 -3.564 -8.065 5.221 1.00 55.11 H new ATOM 0 HG3 ARG A 82 -2.709 -9.086 4.082 1.00 55.11 H new ATOM 0 HD2 ARG A 82 -1.454 -10.146 5.936 1.00 22.12 H new ATOM 0 HD3 ARG A 82 -2.235 -9.086 7.094 1.00 22.12 H new ATOM 0 HE ARG A 82 -3.776 -11.049 5.426 1.00 63.24 H new ATOM 0 HH11 ARG A 82 -3.082 -9.454 8.458 1.00 10.12 H new ATOM 0 HH12 ARG A 82 -4.324 -10.360 9.328 1.00 10.12 H new ATOM 0 HH21 ARG A 82 -5.310 -12.178 6.541 1.00 64.24 H new ATOM 0 HH22 ARG A 82 -5.562 -11.873 8.263 1.00 64.24 H new ATOM 1348 N VAL A 83 -0.936 -4.117 4.080 1.00 32.34 N ATOM 1349 CA VAL A 83 0.053 -3.046 4.221 1.00 51.34 C ATOM 1350 C VAL A 83 0.130 -2.553 5.675 1.00 1.54 C ATOM 1351 O VAL A 83 -0.675 -1.729 6.113 1.00 75.22 O ATOM 1352 CB VAL A 83 -0.273 -1.856 3.287 1.00 64.13 C ATOM 1353 CG1 VAL A 83 0.844 -0.813 3.316 1.00 61.15 C ATOM 1354 CG2 VAL A 83 -0.531 -2.347 1.863 1.00 75.21 C ATOM 0 H VAL A 83 -1.897 -3.790 3.983 1.00 32.34 H new ATOM 0 HA VAL A 83 1.020 -3.461 3.936 1.00 51.34 H new ATOM 0 HB VAL A 83 -1.182 -1.376 3.651 1.00 64.13 H new ATOM 0 HG11 VAL A 83 0.589 0.012 2.651 1.00 61.15 H new ATOM 0 HG12 VAL A 83 0.964 -0.436 4.332 1.00 61.15 H new ATOM 0 HG13 VAL A 83 1.777 -1.270 2.986 1.00 61.15 H new ATOM 0 HG21 VAL A 83 -0.759 -1.496 1.220 1.00 75.21 H new ATOM 0 HG22 VAL A 83 0.356 -2.858 1.488 1.00 75.21 H new ATOM 0 HG23 VAL A 83 -1.375 -3.037 1.863 1.00 75.21 H new ATOM 1364 N ALA A 84 1.087 -3.083 6.426 1.00 50.23 N ATOM 1365 CA ALA A 84 1.260 -2.713 7.834 1.00 53.23 C ATOM 1366 C ALA A 84 2.321 -1.618 8.000 1.00 24.04 C ATOM 1367 O ALA A 84 3.521 -1.890 7.923 1.00 32.34 O ATOM 1368 CB ALA A 84 1.632 -3.942 8.658 1.00 64.01 C ATOM 0 H ALA A 84 1.759 -3.772 6.087 1.00 50.23 H new ATOM 0 HA ALA A 84 0.312 -2.314 8.196 1.00 53.23 H new ATOM 0 HB1 ALA A 84 1.758 -3.656 9.702 1.00 64.01 H new ATOM 0 HB2 ALA A 84 0.840 -4.686 8.579 1.00 64.01 H new ATOM 0 HB3 ALA A 84 2.564 -4.363 8.282 1.00 64.01 H new ATOM 1374 N ALA A 85 1.871 -0.386 8.217 1.00 44.52 N ATOM 1375 CA ALA A 85 2.770 0.754 8.431 1.00 61.22 C ATOM 1376 C ALA A 85 2.400 1.506 9.716 1.00 12.32 C ATOM 1377 O ALA A 85 1.279 1.394 10.206 1.00 1.34 O ATOM 1378 CB ALA A 85 2.722 1.695 7.230 1.00 14.01 C ATOM 0 H ALA A 85 0.880 -0.146 8.250 1.00 44.52 H new ATOM 0 HA ALA A 85 3.786 0.375 8.540 1.00 61.22 H new ATOM 0 HB1 ALA A 85 3.393 2.537 7.400 1.00 14.01 H new ATOM 0 HB2 ALA A 85 3.034 1.158 6.334 1.00 14.01 H new ATOM 0 HB3 ALA A 85 1.705 2.063 7.097 1.00 14.01 H new ATOM 1384 N ARG A 86 3.346 2.266 10.263 1.00 11.11 N ATOM 1385 CA ARG A 86 3.119 3.020 11.501 1.00 30.23 C ATOM 1386 C ARG A 86 3.594 4.477 11.392 1.00 74.54 C ATOM 1387 O ARG A 86 4.321 4.846 10.469 1.00 53.11 O ATOM 1388 CB ARG A 86 3.791 2.315 12.687 1.00 34.31 C ATOM 1389 CG ARG A 86 3.036 1.070 13.140 1.00 25.53 C ATOM 1390 CD ARG A 86 3.702 0.375 14.318 1.00 44.30 C ATOM 1391 NE ARG A 86 2.832 -0.657 14.880 1.00 63.32 N ATOM 1392 CZ ARG A 86 3.128 -1.925 14.950 1.00 11.12 C ATOM 1393 NH1 ARG A 86 4.259 -2.366 14.504 1.00 51.31 N ATOM 1394 NH2 ARG A 86 2.278 -2.752 15.461 1.00 4.12 N ATOM 0 H ARG A 86 4.280 2.378 9.870 1.00 11.11 H new ATOM 0 HA ARG A 86 2.043 3.050 11.670 1.00 30.23 H new ATOM 0 HB2 ARG A 86 4.808 2.037 12.410 1.00 34.31 H new ATOM 0 HB3 ARG A 86 3.868 3.012 13.522 1.00 34.31 H new ATOM 0 HG2 ARG A 86 2.018 1.347 13.415 1.00 25.53 H new ATOM 0 HG3 ARG A 86 2.962 0.372 12.306 1.00 25.53 H new ATOM 0 HD2 ARG A 86 4.642 -0.073 13.996 1.00 44.30 H new ATOM 0 HD3 ARG A 86 3.945 1.108 15.087 1.00 44.30 H new ATOM 0 HE ARG A 86 1.926 -0.363 15.245 1.00 63.32 H new ATOM 0 HH11 ARG A 86 4.932 -1.720 14.092 1.00 51.31 H new ATOM 0 HH12 ARG A 86 4.478 -3.360 14.565 1.00 51.31 H new ATOM 0 HH21 ARG A 86 1.381 -2.412 15.807 1.00 4.12 H new ATOM 0 HH22 ARG A 86 2.504 -3.745 15.518 1.00 4.12 H new ATOM 1408 N LEU A 87 3.186 5.292 12.364 1.00 72.41 N ATOM 1409 CA LEU A 87 3.381 6.746 12.311 1.00 32.55 C ATOM 1410 C LEU A 87 3.980 7.248 13.641 1.00 73.52 C ATOM 1411 O LEU A 87 3.298 7.252 14.672 1.00 51.21 O ATOM 1412 CB LEU A 87 2.013 7.400 12.028 1.00 3.41 C ATOM 1413 CG LEU A 87 2.032 8.793 11.371 1.00 70.24 C ATOM 1414 CD1 LEU A 87 0.652 9.116 10.791 1.00 54.15 C ATOM 1415 CD2 LEU A 87 2.451 9.871 12.370 1.00 52.11 C ATOM 0 H LEU A 87 2.713 4.968 13.208 1.00 72.41 H new ATOM 0 HA LEU A 87 4.081 7.013 11.519 1.00 32.55 H new ATOM 0 HB2 LEU A 87 1.442 6.729 11.386 1.00 3.41 H new ATOM 0 HB3 LEU A 87 1.471 7.476 12.971 1.00 3.41 H new ATOM 0 HG LEU A 87 2.766 8.779 10.565 1.00 70.24 H new ATOM 0 HD11 LEU A 87 0.674 10.103 10.328 1.00 54.15 H new ATOM 0 HD12 LEU A 87 0.388 8.369 10.042 1.00 54.15 H new ATOM 0 HD13 LEU A 87 -0.090 9.106 11.590 1.00 54.15 H new ATOM 0 HD21 LEU A 87 2.455 10.843 11.876 1.00 52.11 H new ATOM 0 HD22 LEU A 87 1.747 9.889 13.202 1.00 52.11 H new ATOM 0 HD23 LEU A 87 3.450 9.651 12.745 1.00 52.11 H new ATOM 1427 N LEU A 88 5.256 7.650 13.618 1.00 0.40 N ATOM 1428 CA LEU A 88 5.980 8.013 14.850 1.00 3.14 C ATOM 1429 C LEU A 88 6.610 9.420 14.787 1.00 55.33 C ATOM 1430 O LEU A 88 6.481 10.143 13.799 1.00 50.14 O ATOM 1431 CB LEU A 88 7.092 6.990 15.154 1.00 43.11 C ATOM 1432 CG LEU A 88 6.652 5.519 15.302 1.00 52.53 C ATOM 1433 CD1 LEU A 88 6.482 4.851 13.939 1.00 13.52 C ATOM 1434 CD2 LEU A 88 7.654 4.746 16.159 1.00 35.44 C ATOM 0 H LEU A 88 5.810 7.733 12.766 1.00 0.40 H new ATOM 0 HA LEU A 88 5.233 8.011 15.644 1.00 3.14 H new ATOM 0 HB2 LEU A 88 7.834 7.046 14.357 1.00 43.11 H new ATOM 0 HB3 LEU A 88 7.590 7.291 16.075 1.00 43.11 H new ATOM 0 HG LEU A 88 5.683 5.507 15.801 1.00 52.53 H new ATOM 0 HD11 LEU A 88 6.172 3.815 14.078 1.00 13.52 H new ATOM 0 HD12 LEU A 88 5.724 5.383 13.365 1.00 13.52 H new ATOM 0 HD13 LEU A 88 7.429 4.877 13.400 1.00 13.52 H new ATOM 0 HD21 LEU A 88 7.329 3.710 16.254 1.00 35.44 H new ATOM 0 HD22 LEU A 88 8.636 4.776 15.687 1.00 35.44 H new ATOM 0 HD23 LEU A 88 7.713 5.200 17.148 1.00 35.44 H new ATOM 1446 N ASP A 89 7.298 9.777 15.873 1.00 45.22 N ATOM 1447 CA ASP A 89 8.004 11.060 16.007 1.00 14.33 C ATOM 1448 C ASP A 89 9.458 10.964 15.494 1.00 14.30 C ATOM 1449 O ASP A 89 9.988 9.868 15.303 1.00 52.44 O ATOM 1450 CB ASP A 89 7.966 11.479 17.490 1.00 53.44 C ATOM 1451 CG ASP A 89 8.967 12.562 17.844 1.00 71.51 C ATOM 1452 OD1 ASP A 89 8.851 13.686 17.323 1.00 45.31 O ATOM 1453 OD2 ASP A 89 9.898 12.275 18.622 1.00 45.24 O ATOM 0 H ASP A 89 7.384 9.179 16.695 1.00 45.22 H new ATOM 0 HA ASP A 89 7.508 11.813 15.395 1.00 14.33 H new ATOM 0 HB2 ASP A 89 6.963 11.830 17.734 1.00 53.44 H new ATOM 0 HB3 ASP A 89 8.157 10.603 18.111 1.00 53.44 H new ATOM 1458 N ALA A 90 10.100 12.122 15.293 1.00 15.21 N ATOM 1459 CA ALA A 90 11.483 12.188 14.794 1.00 31.01 C ATOM 1460 C ALA A 90 12.478 11.450 15.712 1.00 63.30 C ATOM 1461 O ALA A 90 13.531 10.992 15.265 1.00 43.30 O ATOM 1462 CB ALA A 90 11.907 13.643 14.617 1.00 2.24 C ATOM 0 H ALA A 90 9.680 13.035 15.470 1.00 15.21 H new ATOM 0 HA ALA A 90 11.502 11.681 13.829 1.00 31.01 H new ATOM 0 HB1 ALA A 90 12.932 13.681 14.247 1.00 2.24 H new ATOM 0 HB2 ALA A 90 11.245 14.130 13.901 1.00 2.24 H new ATOM 0 HB3 ALA A 90 11.848 14.158 15.576 1.00 2.24 H new ATOM 1468 N HIS A 91 12.138 11.336 16.997 1.00 32.22 N ATOM 1469 CA HIS A 91 12.984 10.621 17.965 1.00 40.35 C ATOM 1470 C HIS A 91 12.675 9.111 17.970 1.00 42.45 C ATOM 1471 O HIS A 91 13.169 8.372 18.826 1.00 44.22 O ATOM 1472 CB HIS A 91 12.772 11.187 19.380 1.00 40.34 C ATOM 1473 CG HIS A 91 12.935 12.674 19.501 1.00 41.41 C ATOM 1474 ND1 HIS A 91 13.084 13.641 18.563 1.00 14.24 N flip ATOM 1475 CD2 HIS A 91 12.918 13.328 20.711 1.00 73.13 C flip ATOM 1476 CE1 HIS A 91 13.152 14.843 19.224 1.00 54.22 C flip ATOM 1477 NE2 HIS A 91 13.050 14.623 20.517 1.00 55.54 N flip ATOM 0 H HIS A 91 11.284 11.728 17.395 1.00 32.22 H new ATOM 0 HA HIS A 91 14.022 10.764 17.664 1.00 40.35 H new ATOM 0 HB2 HIS A 91 11.770 10.918 19.716 1.00 40.34 H new ATOM 0 HB3 HIS A 91 13.476 10.703 20.057 1.00 40.34 H new ATOM 0 HD2 HIS A 91 12.812 12.851 21.674 1.00 73.13 H new ATOM 0 HE1 HIS A 91 13.270 15.810 18.759 1.00 54.22 H new ATOM 0 HE2 HIS A 91 13.070 15.336 21.246 1.00 55.54 H new ATOM 1486 N ASN A 92 11.844 8.665 17.016 1.00 43.34 N ATOM 1487 CA ASN A 92 11.397 7.259 16.929 1.00 63.41 C ATOM 1488 C ASN A 92 10.604 6.829 18.176 1.00 40.44 C ATOM 1489 O ASN A 92 10.399 5.636 18.414 1.00 32.03 O ATOM 1490 CB ASN A 92 12.590 6.315 16.718 1.00 5.10 C ATOM 1491 CG ASN A 92 13.330 6.587 15.424 1.00 60.45 C ATOM 1492 OD1 ASN A 92 14.261 7.383 15.379 1.00 53.33 O ATOM 1493 ND2 ASN A 92 12.922 5.928 14.359 1.00 21.41 N ATOM 0 H ASN A 92 11.462 9.263 16.284 1.00 43.34 H new ATOM 0 HA ASN A 92 10.733 7.191 16.067 1.00 63.41 H new ATOM 0 HB2 ASN A 92 13.281 6.417 17.555 1.00 5.10 H new ATOM 0 HB3 ASN A 92 12.237 5.284 16.720 1.00 5.10 H new ATOM 0 HD21 ASN A 92 13.384 6.073 13.461 1.00 21.41 H new ATOM 0 HD22 ASN A 92 12.144 5.273 14.432 1.00 21.41 H new ATOM 1500 N ALA A 93 10.146 7.806 18.957 1.00 41.33 N ATOM 1501 CA ALA A 93 9.419 7.527 20.201 1.00 33.01 C ATOM 1502 C ALA A 93 7.987 7.040 19.928 1.00 54.21 C ATOM 1503 O ALA A 93 7.683 5.856 20.080 1.00 73.22 O ATOM 1504 CB ALA A 93 9.406 8.771 21.089 1.00 14.02 C ATOM 0 H ALA A 93 10.264 8.798 18.753 1.00 41.33 H new ATOM 0 HA ALA A 93 9.940 6.723 20.721 1.00 33.01 H new ATOM 0 HB1 ALA A 93 8.864 8.555 22.010 1.00 14.02 H new ATOM 0 HB2 ALA A 93 10.430 9.058 21.329 1.00 14.02 H new ATOM 0 HB3 ALA A 93 8.914 9.589 20.562 1.00 14.02 H new ATOM 1510 N GLU A 94 7.119 7.963 19.517 1.00 40.54 N ATOM 1511 CA GLU A 94 5.713 7.653 19.232 1.00 34.24 C ATOM 1512 C GLU A 94 4.997 8.874 18.640 1.00 52.43 C ATOM 1513 O GLU A 94 5.601 9.930 18.477 1.00 74.34 O ATOM 1514 CB GLU A 94 4.994 7.202 20.511 1.00 61.13 C ATOM 1515 CG GLU A 94 4.980 8.263 21.607 1.00 51.34 C ATOM 1516 CD GLU A 94 4.210 7.822 22.837 1.00 45.52 C ATOM 1517 OE1 GLU A 94 2.978 8.021 22.872 1.00 61.31 O ATOM 1518 OE2 GLU A 94 4.835 7.281 23.776 1.00 63.41 O ATOM 0 H GLU A 94 7.365 8.942 19.372 1.00 40.54 H new ATOM 0 HA GLU A 94 5.687 6.843 18.503 1.00 34.24 H new ATOM 0 HB2 GLU A 94 3.967 6.931 20.265 1.00 61.13 H new ATOM 0 HB3 GLU A 94 5.478 6.303 20.893 1.00 61.13 H new ATOM 0 HG2 GLU A 94 6.005 8.500 21.891 1.00 51.34 H new ATOM 0 HG3 GLU A 94 4.538 9.179 21.215 1.00 51.34 H new ATOM 1525 N LEU A 95 3.712 8.718 18.327 1.00 62.02 N ATOM 1526 CA LEU A 95 2.900 9.814 17.774 1.00 35.21 C ATOM 1527 C LEU A 95 1.437 9.366 17.613 1.00 24.31 C ATOM 1528 O LEU A 95 0.538 9.867 18.293 1.00 54.13 O ATOM 1529 CB LEU A 95 3.476 10.281 16.414 1.00 53.44 C ATOM 1530 CG LEU A 95 3.111 11.715 15.961 1.00 61.44 C ATOM 1531 CD1 LEU A 95 1.619 11.854 15.658 1.00 2.41 C ATOM 1532 CD2 LEU A 95 3.548 12.739 17.009 1.00 11.20 C ATOM 0 H LEU A 95 3.204 7.842 18.446 1.00 62.02 H new ATOM 0 HA LEU A 95 2.931 10.654 18.468 1.00 35.21 H new ATOM 0 HB2 LEU A 95 4.562 10.205 16.460 1.00 53.44 H new ATOM 0 HB3 LEU A 95 3.140 9.585 15.645 1.00 53.44 H new ATOM 0 HG LEU A 95 3.651 11.912 15.035 1.00 61.44 H new ATOM 0 HD11 LEU A 95 1.405 12.876 15.344 1.00 2.41 H new ATOM 0 HD12 LEU A 95 1.344 11.164 14.861 1.00 2.41 H new ATOM 0 HD13 LEU A 95 1.043 11.622 16.554 1.00 2.41 H new ATOM 0 HD21 LEU A 95 3.282 13.741 16.672 1.00 11.20 H new ATOM 0 HD22 LEU A 95 3.046 12.529 17.954 1.00 11.20 H new ATOM 0 HD23 LEU A 95 4.627 12.678 17.150 1.00 11.20 H new ATOM 1544 N ALA A 96 1.211 8.415 16.710 1.00 34.03 N ATOM 1545 CA ALA A 96 -0.137 7.896 16.443 1.00 23.33 C ATOM 1546 C ALA A 96 -0.157 6.361 16.378 1.00 60.52 C ATOM 1547 O ALA A 96 -1.072 5.726 16.899 1.00 35.23 O ATOM 1548 CB ALA A 96 -0.671 8.486 15.142 1.00 23.31 C ATOM 0 H ALA A 96 1.944 7.984 16.147 1.00 34.03 H new ATOM 0 HA ALA A 96 -0.780 8.196 17.270 1.00 23.33 H new ATOM 0 HB1 ALA A 96 -1.671 8.097 14.950 1.00 23.31 H new ATOM 0 HB2 ALA A 96 -0.714 9.572 15.226 1.00 23.31 H new ATOM 0 HB3 ALA A 96 -0.010 8.211 14.320 1.00 23.31 H new ATOM 1554 N SER A 97 0.867 5.780 15.740 1.00 15.35 N ATOM 1555 CA SER A 97 0.958 4.320 15.540 1.00 4.52 C ATOM 1556 C SER A 97 -0.198 3.805 14.668 1.00 5.34 C ATOM 1557 O SER A 97 -1.312 3.586 15.141 1.00 10.45 O ATOM 1558 CB SER A 97 0.985 3.568 16.881 1.00 41.01 C ATOM 1559 OG SER A 97 1.226 2.180 16.691 1.00 74.11 O ATOM 0 H SER A 97 1.652 6.300 15.349 1.00 15.35 H new ATOM 0 HA SER A 97 1.897 4.126 15.021 1.00 4.52 H new ATOM 0 HB2 SER A 97 1.760 3.989 17.521 1.00 41.01 H new ATOM 0 HB3 SER A 97 0.035 3.707 17.397 1.00 41.01 H new ATOM 0 HG SER A 97 1.239 1.728 17.561 1.00 74.11 H new ATOM 1565 N LEU A 98 0.081 3.618 13.382 1.00 34.11 N ATOM 1566 CA LEU A 98 -0.944 3.243 12.408 1.00 43.04 C ATOM 1567 C LEU A 98 -1.143 1.710 12.366 1.00 42.30 C ATOM 1568 O LEU A 98 -0.269 0.950 12.786 1.00 72.51 O ATOM 1569 CB LEU A 98 -0.551 3.810 11.031 1.00 4.33 C ATOM 1570 CG LEU A 98 -1.655 3.826 9.963 1.00 21.33 C ATOM 1571 CD1 LEU A 98 -2.935 4.457 10.514 1.00 73.01 C ATOM 1572 CD2 LEU A 98 -1.175 4.587 8.726 1.00 31.21 C ATOM 0 H LEU A 98 1.015 3.720 12.986 1.00 34.11 H new ATOM 0 HA LEU A 98 -1.903 3.668 12.704 1.00 43.04 H new ATOM 0 HB2 LEU A 98 -0.194 4.831 11.170 1.00 4.33 H new ATOM 0 HB3 LEU A 98 0.288 3.229 10.648 1.00 4.33 H new ATOM 0 HG LEU A 98 -1.879 2.797 9.681 1.00 21.33 H new ATOM 0 HD11 LEU A 98 -3.703 4.457 9.740 1.00 73.01 H new ATOM 0 HD12 LEU A 98 -3.284 3.882 11.371 1.00 73.01 H new ATOM 0 HD13 LEU A 98 -2.731 5.482 10.824 1.00 73.01 H new ATOM 0 HD21 LEU A 98 -1.964 4.593 7.974 1.00 31.21 H new ATOM 0 HD22 LEU A 98 -0.929 5.612 9.002 1.00 31.21 H new ATOM 0 HD23 LEU A 98 -0.290 4.098 8.319 1.00 31.21 H new ATOM 1584 N GLN A 99 -2.303 1.269 11.878 1.00 34.20 N ATOM 1585 CA GLN A 99 -2.676 -0.159 11.891 1.00 52.44 C ATOM 1586 C GLN A 99 -2.575 -0.795 10.492 1.00 12.52 C ATOM 1587 O GLN A 99 -2.636 -0.100 9.478 1.00 20.51 O ATOM 1588 CB GLN A 99 -4.108 -0.297 12.439 1.00 31.52 C ATOM 1589 CG GLN A 99 -4.621 -1.734 12.518 1.00 72.04 C ATOM 1590 CD GLN A 99 -6.042 -1.842 13.053 1.00 21.00 C ATOM 1591 OE1 GLN A 99 -6.862 -0.837 12.805 1.00 44.33 O flip ATOM 1592 NE2 GLN A 99 -6.403 -2.826 13.684 1.00 62.14 N flip ATOM 0 H GLN A 99 -3.009 1.879 11.465 1.00 34.20 H new ATOM 0 HA GLN A 99 -1.975 -0.692 12.534 1.00 52.44 H new ATOM 0 HB2 GLN A 99 -4.146 0.144 13.435 1.00 31.52 H new ATOM 0 HB3 GLN A 99 -4.782 0.282 11.808 1.00 31.52 H new ATOM 0 HG2 GLN A 99 -4.580 -2.181 11.525 1.00 72.04 H new ATOM 0 HG3 GLN A 99 -3.955 -2.315 13.157 1.00 72.04 H new ATOM 0 HE21 GLN A 99 -5.748 -3.587 13.860 1.00 62.14 H new ATOM 0 HE22 GLN A 99 -7.359 -2.885 14.034 1.00 62.14 H new ATOM 1601 N GLU A 100 -2.426 -2.127 10.453 1.00 23.11 N ATOM 1602 CA GLU A 100 -2.329 -2.874 9.186 1.00 62.14 C ATOM 1603 C GLU A 100 -3.558 -2.655 8.287 1.00 71.31 C ATOM 1604 O GLU A 100 -4.690 -2.993 8.658 1.00 31.53 O ATOM 1605 CB GLU A 100 -2.153 -4.381 9.457 1.00 23.33 C ATOM 1606 CG GLU A 100 -2.124 -5.233 8.185 1.00 64.02 C ATOM 1607 CD GLU A 100 -1.906 -6.715 8.458 1.00 34.40 C ATOM 1608 OE1 GLU A 100 -2.902 -7.450 8.642 1.00 15.32 O ATOM 1609 OE2 GLU A 100 -0.738 -7.156 8.477 1.00 33.24 O ATOM 0 H GLU A 100 -2.370 -2.713 11.286 1.00 23.11 H new ATOM 0 HA GLU A 100 -1.454 -2.491 8.660 1.00 62.14 H new ATOM 0 HB2 GLU A 100 -1.226 -4.537 10.010 1.00 23.33 H new ATOM 0 HB3 GLU A 100 -2.967 -4.724 10.096 1.00 23.33 H new ATOM 0 HG2 GLU A 100 -3.064 -5.104 7.648 1.00 64.02 H new ATOM 0 HG3 GLU A 100 -1.331 -4.871 7.531 1.00 64.02 H new ATOM 1616 N ILE A 101 -3.324 -2.096 7.103 1.00 51.11 N ATOM 1617 CA ILE A 101 -4.383 -1.870 6.115 1.00 74.34 C ATOM 1618 C ILE A 101 -4.558 -3.096 5.201 1.00 61.32 C ATOM 1619 O ILE A 101 -3.690 -3.399 4.382 1.00 32.34 O ATOM 1620 CB ILE A 101 -4.067 -0.627 5.241 1.00 30.25 C ATOM 1621 CG1 ILE A 101 -3.811 0.604 6.131 1.00 31.01 C ATOM 1622 CG2 ILE A 101 -5.205 -0.356 4.253 1.00 31.05 C ATOM 1623 CD1 ILE A 101 -3.395 1.844 5.363 1.00 31.23 C ATOM 0 H ILE A 101 -2.401 -1.787 6.799 1.00 51.11 H new ATOM 0 HA ILE A 101 -5.308 -1.699 6.665 1.00 74.34 H new ATOM 0 HB ILE A 101 -3.163 -0.830 4.667 1.00 30.25 H new ATOM 0 HG12 ILE A 101 -4.716 0.826 6.696 1.00 31.01 H new ATOM 0 HG13 ILE A 101 -3.034 0.360 6.856 1.00 31.01 H new ATOM 0 HG21 ILE A 101 -4.963 0.519 3.650 1.00 31.05 H new ATOM 0 HG22 ILE A 101 -5.335 -1.220 3.602 1.00 31.05 H new ATOM 0 HG23 ILE A 101 -6.128 -0.174 4.803 1.00 31.05 H new ATOM 0 HD11 ILE A 101 -3.234 2.667 6.060 1.00 31.23 H new ATOM 0 HD12 ILE A 101 -2.472 1.643 4.819 1.00 31.23 H new ATOM 0 HD13 ILE A 101 -4.180 2.115 4.657 1.00 31.23 H new ATOM 1635 N ARG A 102 -5.678 -3.804 5.347 1.00 43.44 N ATOM 1636 CA ARG A 102 -5.957 -4.977 4.508 1.00 21.01 C ATOM 1637 C ARG A 102 -6.714 -4.588 3.229 1.00 4.22 C ATOM 1638 O ARG A 102 -7.888 -4.210 3.278 1.00 11.31 O ATOM 1639 CB ARG A 102 -6.773 -6.026 5.282 1.00 64.15 C ATOM 1640 CG ARG A 102 -7.163 -7.237 4.429 1.00 75.40 C ATOM 1641 CD ARG A 102 -8.029 -8.235 5.192 1.00 22.41 C ATOM 1642 NE ARG A 102 -8.471 -9.341 4.339 1.00 31.21 N ATOM 1643 CZ ARG A 102 -9.173 -10.362 4.761 1.00 50.21 C ATOM 1644 NH1 ARG A 102 -9.536 -10.446 6.002 1.00 4.31 N ATOM 1645 NH2 ARG A 102 -9.529 -11.293 3.934 1.00 61.44 N ATOM 0 H ARG A 102 -6.404 -3.591 6.032 1.00 43.44 H new ATOM 0 HA ARG A 102 -4.994 -5.404 4.228 1.00 21.01 H new ATOM 0 HB2 ARG A 102 -6.194 -6.366 6.141 1.00 64.15 H new ATOM 0 HB3 ARG A 102 -7.677 -5.558 5.672 1.00 64.15 H new ATOM 0 HG2 ARG A 102 -7.701 -6.896 3.544 1.00 75.40 H new ATOM 0 HG3 ARG A 102 -6.260 -7.737 4.080 1.00 75.40 H new ATOM 0 HD2 ARG A 102 -7.467 -8.631 6.037 1.00 22.41 H new ATOM 0 HD3 ARG A 102 -8.899 -7.722 5.601 1.00 22.41 H new ATOM 0 HE ARG A 102 -8.215 -9.314 3.352 1.00 31.21 H new ATOM 0 HH11 ARG A 102 -9.275 -9.712 6.661 1.00 4.31 H new ATOM 0 HH12 ARG A 102 -10.083 -11.246 6.320 1.00 4.31 H new ATOM 0 HH21 ARG A 102 -9.262 -11.232 2.951 1.00 61.44 H new ATOM 0 HH22 ARG A 102 -10.076 -12.088 4.265 1.00 61.44 H new ATOM 1659 N LEU A 103 -6.036 -4.668 2.090 1.00 62.14 N ATOM 1660 CA LEU A 103 -6.682 -4.475 0.789 1.00 14.44 C ATOM 1661 C LEU A 103 -7.156 -5.821 0.221 1.00 52.52 C ATOM 1662 O LEU A 103 -6.479 -6.836 0.373 1.00 70.02 O ATOM 1663 CB LEU A 103 -5.714 -3.807 -0.197 1.00 0.54 C ATOM 1664 CG LEU A 103 -5.162 -2.442 0.247 1.00 71.34 C ATOM 1665 CD1 LEU A 103 -4.189 -1.895 -0.793 1.00 54.12 C ATOM 1666 CD2 LEU A 103 -6.297 -1.450 0.504 1.00 12.20 C ATOM 0 H LEU A 103 -5.037 -4.865 2.037 1.00 62.14 H new ATOM 0 HA LEU A 103 -7.546 -3.826 0.930 1.00 14.44 H new ATOM 0 HB2 LEU A 103 -4.875 -4.481 -0.370 1.00 0.54 H new ATOM 0 HB3 LEU A 103 -6.224 -3.681 -1.152 1.00 0.54 H new ATOM 0 HG LEU A 103 -4.621 -2.582 1.183 1.00 71.34 H new ATOM 0 HD11 LEU A 103 -3.808 -0.929 -0.462 1.00 54.12 H new ATOM 0 HD12 LEU A 103 -3.358 -2.590 -0.915 1.00 54.12 H new ATOM 0 HD13 LEU A 103 -4.704 -1.775 -1.746 1.00 54.12 H new ATOM 0 HD21 LEU A 103 -5.880 -0.493 0.817 1.00 12.20 H new ATOM 0 HD22 LEU A 103 -6.874 -1.313 -0.410 1.00 12.20 H new ATOM 0 HD23 LEU A 103 -6.947 -1.836 1.289 1.00 12.20 H new ATOM 1678 N THR A 104 -8.327 -5.830 -0.415 1.00 73.44 N ATOM 1679 CA THR A 104 -8.870 -7.053 -1.031 1.00 25.20 C ATOM 1680 C THR A 104 -9.613 -6.743 -2.339 1.00 64.00 C ATOM 1681 O THR A 104 -10.529 -5.918 -2.365 1.00 31.41 O ATOM 1682 CB THR A 104 -9.843 -7.803 -0.082 1.00 55.52 C ATOM 1683 OG1 THR A 104 -10.826 -6.897 0.437 1.00 40.05 O ATOM 1684 CG2 THR A 104 -9.100 -8.472 1.072 1.00 45.11 C ATOM 0 H THR A 104 -8.922 -5.008 -0.520 1.00 73.44 H new ATOM 0 HA THR A 104 -8.010 -7.690 -1.237 1.00 25.20 H new ATOM 0 HB THR A 104 -10.335 -8.582 -0.665 1.00 55.52 H new ATOM 0 HG1 THR A 104 -11.038 -6.221 -0.240 1.00 40.05 H new ATOM 0 HG21 THR A 104 -9.814 -8.987 1.715 1.00 45.11 H new ATOM 0 HG22 THR A 104 -8.384 -9.192 0.675 1.00 45.11 H new ATOM 0 HG23 THR A 104 -8.571 -7.715 1.651 1.00 45.11 H new ATOM 1692 N ARG A 105 -9.208 -7.402 -3.424 1.00 55.22 N ATOM 1693 CA ARG A 105 -9.887 -7.271 -4.722 1.00 23.53 C ATOM 1694 C ARG A 105 -10.071 -8.636 -5.401 1.00 74.34 C ATOM 1695 O ARG A 105 -9.275 -9.555 -5.210 1.00 61.45 O ATOM 1696 CB ARG A 105 -9.124 -6.304 -5.642 1.00 72.54 C ATOM 1697 CG ARG A 105 -9.347 -4.836 -5.286 1.00 22.32 C ATOM 1698 CD ARG A 105 -8.605 -3.888 -6.219 1.00 31.33 C ATOM 1699 NE ARG A 105 -9.042 -2.505 -6.032 1.00 13.32 N ATOM 1700 CZ ARG A 105 -8.240 -1.480 -5.955 1.00 1.35 C ATOM 1701 NH1 ARG A 105 -6.957 -1.637 -6.015 1.00 34.32 N ATOM 1702 NH2 ARG A 105 -8.722 -0.291 -5.821 1.00 70.54 N ATOM 0 H ARG A 105 -8.409 -8.036 -3.434 1.00 55.22 H new ATOM 0 HA ARG A 105 -10.878 -6.858 -4.535 1.00 23.53 H new ATOM 0 HB2 ARG A 105 -8.058 -6.527 -5.589 1.00 72.54 H new ATOM 0 HB3 ARG A 105 -9.434 -6.473 -6.673 1.00 72.54 H new ATOM 0 HG2 ARG A 105 -10.414 -4.615 -5.323 1.00 22.32 H new ATOM 0 HG3 ARG A 105 -9.020 -4.661 -4.261 1.00 22.32 H new ATOM 0 HD2 ARG A 105 -7.533 -3.960 -6.036 1.00 31.33 H new ATOM 0 HD3 ARG A 105 -8.773 -4.188 -7.253 1.00 31.33 H new ATOM 0 HE ARG A 105 -10.044 -2.330 -5.957 1.00 13.32 H new ATOM 0 HH11 ARG A 105 -6.562 -2.571 -6.124 1.00 34.32 H new ATOM 0 HH12 ARG A 105 -6.341 -0.827 -5.954 1.00 34.32 H new ATOM 0 HH21 ARG A 105 -9.731 -0.152 -5.775 1.00 70.54 H new ATOM 0 HH22 ARG A 105 -8.094 0.510 -5.761 1.00 70.54 H new ATOM 1716 N ILE A 106 -11.131 -8.755 -6.197 1.00 12.22 N ATOM 1717 CA ILE A 106 -11.503 -10.036 -6.814 1.00 34.22 C ATOM 1718 C ILE A 106 -10.892 -10.199 -8.214 1.00 1.33 C ATOM 1719 O ILE A 106 -11.072 -9.349 -9.089 1.00 51.41 O ATOM 1720 CB ILE A 106 -13.045 -10.171 -6.918 1.00 34.13 C ATOM 1721 CG1 ILE A 106 -13.708 -9.823 -5.571 1.00 61.53 C ATOM 1722 CG2 ILE A 106 -13.437 -11.581 -7.369 1.00 1.33 C ATOM 1723 CD1 ILE A 106 -13.212 -10.652 -4.403 1.00 0.12 C ATOM 0 H ILE A 106 -11.752 -7.981 -6.433 1.00 12.22 H new ATOM 0 HA ILE A 106 -11.107 -10.820 -6.169 1.00 34.22 H new ATOM 0 HB ILE A 106 -13.402 -9.466 -7.668 1.00 34.13 H new ATOM 0 HG12 ILE A 106 -13.534 -8.769 -5.354 1.00 61.53 H new ATOM 0 HG13 ILE A 106 -14.786 -9.955 -5.664 1.00 61.53 H new ATOM 0 HG21 ILE A 106 -14.523 -11.653 -7.435 1.00 1.33 H new ATOM 0 HG22 ILE A 106 -13.000 -11.785 -8.346 1.00 1.33 H new ATOM 0 HG23 ILE A 106 -13.068 -12.310 -6.647 1.00 1.33 H new ATOM 0 HD11 ILE A 106 -13.728 -10.345 -3.493 1.00 0.12 H new ATOM 0 HD12 ILE A 106 -13.411 -11.706 -4.595 1.00 0.12 H new ATOM 0 HD13 ILE A 106 -12.139 -10.502 -4.280 1.00 0.12 H new ATOM 1735 N LEU A 107 -10.171 -11.298 -8.413 1.00 23.53 N ATOM 1736 CA LEU A 107 -9.583 -11.622 -9.717 1.00 64.03 C ATOM 1737 C LEU A 107 -10.445 -12.673 -10.441 1.00 41.44 C ATOM 1738 O LEU A 107 -10.472 -13.843 -10.047 1.00 60.14 O ATOM 1739 CB LEU A 107 -8.136 -12.130 -9.522 1.00 22.42 C ATOM 1740 CG LEU A 107 -7.268 -12.304 -10.793 1.00 53.11 C ATOM 1741 CD1 LEU A 107 -7.654 -13.551 -11.591 1.00 4.13 C ATOM 1742 CD2 LEU A 107 -7.348 -11.057 -11.671 1.00 61.45 C ATOM 0 H LEU A 107 -9.977 -11.986 -7.685 1.00 23.53 H new ATOM 0 HA LEU A 107 -9.555 -10.725 -10.336 1.00 64.03 H new ATOM 0 HB2 LEU A 107 -7.622 -11.438 -8.855 1.00 22.42 H new ATOM 0 HB3 LEU A 107 -8.182 -13.091 -9.010 1.00 22.42 H new ATOM 0 HG LEU A 107 -6.238 -12.440 -10.464 1.00 53.11 H new ATOM 0 HD11 LEU A 107 -7.018 -13.630 -12.473 1.00 4.13 H new ATOM 0 HD12 LEU A 107 -7.523 -14.436 -10.969 1.00 4.13 H new ATOM 0 HD13 LEU A 107 -8.696 -13.476 -11.901 1.00 4.13 H new ATOM 0 HD21 LEU A 107 -6.732 -11.197 -12.559 1.00 61.45 H new ATOM 0 HD22 LEU A 107 -8.383 -10.888 -11.970 1.00 61.45 H new ATOM 0 HD23 LEU A 107 -6.987 -10.194 -11.111 1.00 61.45 H new ATOM 1754 N PRO A 108 -11.170 -12.268 -11.505 1.00 2.44 N ATOM 1755 CA PRO A 108 -11.999 -13.194 -12.297 1.00 1.04 C ATOM 1756 C PRO A 108 -11.153 -14.140 -13.172 1.00 11.04 C ATOM 1757 O PRO A 108 -10.641 -13.752 -14.228 1.00 54.33 O ATOM 1758 CB PRO A 108 -12.849 -12.251 -13.160 1.00 73.23 C ATOM 1759 CG PRO A 108 -12.018 -11.019 -13.302 1.00 52.42 C ATOM 1760 CD PRO A 108 -11.250 -10.880 -12.013 1.00 21.33 C ATOM 0 HA PRO A 108 -12.590 -13.861 -11.669 1.00 1.04 H new ATOM 0 HB2 PRO A 108 -13.070 -12.694 -14.131 1.00 73.23 H new ATOM 0 HB3 PRO A 108 -13.805 -12.032 -12.684 1.00 73.23 H new ATOM 0 HG2 PRO A 108 -11.341 -11.102 -14.152 1.00 52.42 H new ATOM 0 HG3 PRO A 108 -12.645 -10.145 -13.478 1.00 52.42 H new ATOM 0 HD2 PRO A 108 -10.260 -10.456 -12.180 1.00 21.33 H new ATOM 0 HD3 PRO A 108 -11.763 -10.224 -11.309 1.00 21.33 H new ATOM 1768 N PHE A 109 -11.007 -15.382 -12.724 1.00 50.12 N ATOM 1769 CA PHE A 109 -10.145 -16.357 -13.400 1.00 35.23 C ATOM 1770 C PHE A 109 -10.892 -17.131 -14.500 1.00 74.13 C ATOM 1771 O PHE A 109 -11.805 -17.906 -14.220 1.00 13.15 O ATOM 1772 CB PHE A 109 -9.567 -17.329 -12.367 1.00 12.41 C ATOM 1773 CG PHE A 109 -8.659 -18.389 -12.941 1.00 70.41 C ATOM 1774 CD1 PHE A 109 -7.315 -18.125 -13.161 1.00 2.43 C ATOM 1775 CD2 PHE A 109 -9.149 -19.651 -13.254 1.00 54.33 C ATOM 1776 CE1 PHE A 109 -6.480 -19.095 -13.680 1.00 3.21 C ATOM 1777 CE2 PHE A 109 -8.317 -20.624 -13.772 1.00 51.53 C ATOM 1778 CZ PHE A 109 -6.980 -20.345 -13.985 1.00 33.31 C ATOM 0 H PHE A 109 -11.475 -15.743 -11.892 1.00 50.12 H new ATOM 0 HA PHE A 109 -9.338 -15.809 -13.887 1.00 35.23 H new ATOM 0 HB2 PHE A 109 -9.012 -16.759 -11.622 1.00 12.41 H new ATOM 0 HB3 PHE A 109 -10.391 -17.818 -11.847 1.00 12.41 H new ATOM 0 HD1 PHE A 109 -6.917 -17.149 -12.924 1.00 2.43 H new ATOM 0 HD2 PHE A 109 -10.193 -19.874 -13.090 1.00 54.33 H new ATOM 0 HE1 PHE A 109 -5.436 -18.876 -13.847 1.00 3.21 H new ATOM 0 HE2 PHE A 109 -8.710 -21.601 -14.010 1.00 51.53 H new ATOM 0 HZ PHE A 109 -6.327 -21.104 -14.390 1.00 33.31 H new ATOM 1788 N LEU A 110 -10.497 -16.902 -15.752 1.00 60.32 N ATOM 1789 CA LEU A 110 -11.028 -17.656 -16.899 1.00 53.24 C ATOM 1790 C LEU A 110 -9.897 -18.044 -17.862 1.00 4.43 C ATOM 1791 O LEU A 110 -9.252 -17.173 -18.447 1.00 45.14 O ATOM 1792 CB LEU A 110 -12.090 -16.836 -17.654 1.00 62.45 C ATOM 1793 CG LEU A 110 -13.411 -16.601 -16.899 1.00 40.05 C ATOM 1794 CD1 LEU A 110 -14.361 -15.742 -17.731 1.00 52.40 C ATOM 1795 CD2 LEU A 110 -14.069 -17.932 -16.532 1.00 43.54 C ATOM 0 H LEU A 110 -9.806 -16.196 -16.004 1.00 60.32 H new ATOM 0 HA LEU A 110 -11.494 -18.562 -16.512 1.00 53.24 H new ATOM 0 HB2 LEU A 110 -11.661 -15.867 -17.909 1.00 62.45 H new ATOM 0 HB3 LEU A 110 -12.314 -17.342 -18.593 1.00 62.45 H new ATOM 0 HG LEU A 110 -13.186 -16.067 -15.976 1.00 40.05 H new ATOM 0 HD11 LEU A 110 -15.289 -15.587 -17.180 1.00 52.40 H new ATOM 0 HD12 LEU A 110 -13.895 -14.778 -17.935 1.00 52.40 H new ATOM 0 HD13 LEU A 110 -14.578 -16.247 -18.672 1.00 52.40 H new ATOM 0 HD21 LEU A 110 -15.001 -17.743 -15.999 1.00 43.54 H new ATOM 0 HD22 LEU A 110 -14.279 -18.497 -17.440 1.00 43.54 H new ATOM 0 HD23 LEU A 110 -13.397 -18.507 -15.894 1.00 43.54 H new ATOM 1807 N ASP A 111 -9.659 -19.347 -18.018 1.00 52.03 N ATOM 1808 CA ASP A 111 -8.607 -19.848 -18.921 1.00 32.21 C ATOM 1809 C ASP A 111 -8.854 -19.379 -20.364 1.00 64.22 C ATOM 1810 O ASP A 111 -7.918 -19.147 -21.131 1.00 61.12 O ATOM 1811 CB ASP A 111 -8.563 -21.383 -18.895 1.00 22.03 C ATOM 1812 CG ASP A 111 -8.850 -21.950 -17.520 1.00 63.42 C ATOM 1813 OD1 ASP A 111 -10.046 -22.132 -17.199 1.00 20.41 O ATOM 1814 OD2 ASP A 111 -7.894 -22.221 -16.763 1.00 35.32 O ATOM 0 H ASP A 111 -10.178 -20.079 -17.533 1.00 52.03 H new ATOM 0 HA ASP A 111 -7.654 -19.449 -18.573 1.00 32.21 H new ATOM 0 HB2 ASP A 111 -9.291 -21.776 -19.605 1.00 22.03 H new ATOM 0 HB3 ASP A 111 -7.581 -21.720 -19.225 1.00 22.03 H new ATOM 1819 N ALA A 112 -10.134 -19.266 -20.718 1.00 1.13 N ATOM 1820 CA ALA A 112 -10.550 -18.835 -22.055 1.00 64.53 C ATOM 1821 C ALA A 112 -9.954 -17.472 -22.444 1.00 70.43 C ATOM 1822 O ALA A 112 -9.471 -17.290 -23.568 1.00 24.13 O ATOM 1823 CB ALA A 112 -12.071 -18.788 -22.127 1.00 1.54 C ATOM 0 H ALA A 112 -10.911 -19.470 -20.089 1.00 1.13 H new ATOM 0 HA ALA A 112 -10.168 -19.563 -22.771 1.00 64.53 H new ATOM 0 HB1 ALA A 112 -12.378 -18.467 -23.122 1.00 1.54 H new ATOM 0 HB2 ALA A 112 -12.476 -19.780 -21.924 1.00 1.54 H new ATOM 0 HB3 ALA A 112 -12.449 -18.084 -21.386 1.00 1.54 H new ATOM 1829 N GLN A 113 -9.983 -16.521 -21.514 1.00 71.20 N ATOM 1830 CA GLN A 113 -9.500 -15.165 -21.790 1.00 31.52 C ATOM 1831 C GLN A 113 -7.985 -15.058 -21.564 1.00 41.33 C ATOM 1832 O GLN A 113 -7.527 -14.523 -20.551 1.00 31.43 O ATOM 1833 CB GLN A 113 -10.247 -14.139 -20.928 1.00 50.44 C ATOM 1834 CG GLN A 113 -11.764 -14.274 -20.992 1.00 5.04 C ATOM 1835 CD GLN A 113 -12.485 -13.039 -20.477 1.00 62.31 C ATOM 1836 OE1 GLN A 113 -12.736 -12.985 -19.185 1.00 20.10 O flip ATOM 1837 NE2 GLN A 113 -12.802 -12.133 -21.239 1.00 65.45 N flip ATOM 0 H GLN A 113 -10.333 -16.660 -20.566 1.00 71.20 H new ATOM 0 HA GLN A 113 -9.699 -14.947 -22.839 1.00 31.52 H new ATOM 0 HB2 GLN A 113 -9.925 -14.245 -19.892 1.00 50.44 H new ATOM 0 HB3 GLN A 113 -9.966 -13.136 -21.248 1.00 50.44 H new ATOM 0 HG2 GLN A 113 -12.065 -14.462 -22.023 1.00 5.04 H new ATOM 0 HG3 GLN A 113 -12.073 -15.140 -20.407 1.00 5.04 H new ATOM 0 HE21 GLN A 113 -12.592 -12.207 -22.234 1.00 65.45 H new ATOM 0 HE22 GLN A 113 -13.275 -11.305 -20.878 1.00 65.45 H new ATOM 1846 N GLU A 114 -7.220 -15.583 -22.517 1.00 52.31 N ATOM 1847 CA GLU A 114 -5.753 -15.605 -22.427 1.00 50.31 C ATOM 1848 C GLU A 114 -5.147 -14.195 -22.272 1.00 2.24 C ATOM 1849 O GLU A 114 -4.288 -13.976 -21.415 1.00 23.53 O ATOM 1850 CB GLU A 114 -5.163 -16.314 -23.657 1.00 72.21 C ATOM 1851 CG GLU A 114 -5.697 -15.793 -24.988 1.00 43.12 C ATOM 1852 CD GLU A 114 -5.049 -16.461 -26.187 1.00 74.15 C ATOM 1853 OE1 GLU A 114 -3.960 -16.014 -26.602 1.00 2.40 O ATOM 1854 OE2 GLU A 114 -5.628 -17.435 -26.722 1.00 5.23 O ATOM 0 H GLU A 114 -7.590 -16.003 -23.369 1.00 52.31 H new ATOM 0 HA GLU A 114 -5.491 -16.159 -21.526 1.00 50.31 H new ATOM 0 HB2 GLU A 114 -4.079 -16.202 -23.643 1.00 72.21 H new ATOM 0 HB3 GLU A 114 -5.374 -17.381 -23.585 1.00 72.21 H new ATOM 0 HG2 GLU A 114 -6.775 -15.952 -25.028 1.00 43.12 H new ATOM 0 HG3 GLU A 114 -5.531 -14.717 -25.044 1.00 43.12 H new ATOM 1861 N LEU A 115 -5.594 -13.238 -23.086 1.00 73.21 N ATOM 1862 CA LEU A 115 -5.104 -11.852 -22.987 1.00 23.20 C ATOM 1863 C LEU A 115 -5.481 -11.217 -21.638 1.00 42.03 C ATOM 1864 O LEU A 115 -4.682 -10.494 -21.034 1.00 74.41 O ATOM 1865 CB LEU A 115 -5.645 -10.988 -24.146 1.00 0.23 C ATOM 1866 CG LEU A 115 -4.869 -11.081 -25.477 1.00 44.02 C ATOM 1867 CD1 LEU A 115 -3.423 -10.624 -25.295 1.00 13.30 C ATOM 1868 CD2 LEU A 115 -4.915 -12.493 -26.048 1.00 51.35 C ATOM 0 H LEU A 115 -6.289 -13.389 -23.817 1.00 73.21 H new ATOM 0 HA LEU A 115 -4.017 -11.889 -23.056 1.00 23.20 H new ATOM 0 HB2 LEU A 115 -6.681 -11.271 -24.332 1.00 0.23 H new ATOM 0 HB3 LEU A 115 -5.652 -9.947 -23.824 1.00 0.23 H new ATOM 0 HG LEU A 115 -5.355 -10.415 -26.190 1.00 44.02 H new ATOM 0 HD11 LEU A 115 -2.896 -10.698 -26.246 1.00 13.30 H new ATOM 0 HD12 LEU A 115 -3.409 -9.589 -24.952 1.00 13.30 H new ATOM 0 HD13 LEU A 115 -2.931 -11.258 -24.557 1.00 13.30 H new ATOM 0 HD21 LEU A 115 -4.359 -12.525 -26.985 1.00 51.35 H new ATOM 0 HD22 LEU A 115 -4.468 -13.188 -25.337 1.00 51.35 H new ATOM 0 HD23 LEU A 115 -5.951 -12.778 -26.231 1.00 51.35 H new ATOM 1880 N ALA A 116 -6.694 -11.501 -21.165 1.00 22.33 N ATOM 1881 CA ALA A 116 -7.168 -10.975 -19.878 1.00 12.44 C ATOM 1882 C ALA A 116 -6.381 -11.570 -18.699 1.00 61.11 C ATOM 1883 O ALA A 116 -6.149 -10.894 -17.697 1.00 52.33 O ATOM 1884 CB ALA A 116 -8.660 -11.243 -19.713 1.00 64.12 C ATOM 0 H ALA A 116 -7.369 -12.092 -21.651 1.00 22.33 H new ATOM 0 HA ALA A 116 -7.000 -9.898 -19.877 1.00 12.44 H new ATOM 0 HB1 ALA A 116 -8.997 -10.848 -18.755 1.00 64.12 H new ATOM 0 HB2 ALA A 116 -9.208 -10.756 -20.519 1.00 64.12 H new ATOM 0 HB3 ALA A 116 -8.843 -12.317 -19.747 1.00 64.12 H new ATOM 1890 N LYS A 117 -5.970 -12.836 -18.826 1.00 55.31 N ATOM 1891 CA LYS A 117 -5.141 -13.497 -17.803 1.00 44.50 C ATOM 1892 C LYS A 117 -3.906 -12.655 -17.452 1.00 44.13 C ATOM 1893 O LYS A 117 -3.533 -12.533 -16.285 1.00 31.53 O ATOM 1894 CB LYS A 117 -4.708 -14.895 -18.286 1.00 10.41 C ATOM 1895 CG LYS A 117 -5.816 -15.951 -18.220 1.00 51.32 C ATOM 1896 CD LYS A 117 -5.687 -16.880 -17.006 1.00 73.31 C ATOM 1897 CE LYS A 117 -5.521 -16.129 -15.681 1.00 3.02 C ATOM 1898 NZ LYS A 117 -4.093 -15.839 -15.369 1.00 24.11 N ATOM 0 H LYS A 117 -6.196 -13.427 -19.626 1.00 55.31 H new ATOM 0 HA LYS A 117 -5.745 -13.601 -16.902 1.00 44.50 H new ATOM 0 HB2 LYS A 117 -4.354 -14.819 -19.314 1.00 10.41 H new ATOM 0 HB3 LYS A 117 -3.865 -15.231 -17.683 1.00 10.41 H new ATOM 0 HG2 LYS A 117 -6.784 -15.452 -18.187 1.00 51.32 H new ATOM 0 HG3 LYS A 117 -5.796 -16.548 -19.132 1.00 51.32 H new ATOM 0 HD2 LYS A 117 -6.572 -17.514 -16.947 1.00 73.31 H new ATOM 0 HD3 LYS A 117 -4.831 -17.539 -17.151 1.00 73.31 H new ATOM 0 HE2 LYS A 117 -6.078 -15.193 -15.724 1.00 3.02 H new ATOM 0 HE3 LYS A 117 -5.954 -16.721 -14.874 1.00 3.02 H new ATOM 0 HZ1 LYS A 117 -3.778 -16.448 -14.587 1.00 24.11 H new ATOM 0 HZ2 LYS A 117 -3.509 -16.025 -16.209 1.00 24.11 H new ATOM 0 HZ3 LYS A 117 -3.994 -14.841 -15.093 1.00 24.11 H new ATOM 1912 N ALA A 118 -3.284 -12.075 -18.471 1.00 41.54 N ATOM 1913 CA ALA A 118 -2.141 -11.185 -18.271 1.00 65.14 C ATOM 1914 C ALA A 118 -2.593 -9.789 -17.814 1.00 15.12 C ATOM 1915 O ALA A 118 -2.212 -9.322 -16.741 1.00 5.30 O ATOM 1916 CB ALA A 118 -1.322 -11.082 -19.553 1.00 63.43 C ATOM 0 H ALA A 118 -3.551 -12.204 -19.447 1.00 41.54 H new ATOM 0 HA ALA A 118 -1.518 -11.610 -17.484 1.00 65.14 H new ATOM 0 HB1 ALA A 118 -0.474 -10.417 -19.391 1.00 63.43 H new ATOM 0 HB2 ALA A 118 -0.959 -12.071 -19.833 1.00 63.43 H new ATOM 0 HB3 ALA A 118 -1.947 -10.685 -20.353 1.00 63.43 H new ATOM 1922 N ALA A 119 -3.433 -9.147 -18.628 1.00 1.41 N ATOM 1923 CA ALA A 119 -3.860 -7.758 -18.389 1.00 4.31 C ATOM 1924 C ALA A 119 -4.475 -7.544 -16.993 1.00 23.43 C ATOM 1925 O ALA A 119 -4.009 -6.699 -16.225 1.00 24.11 O ATOM 1926 CB ALA A 119 -4.849 -7.327 -19.467 1.00 40.44 C ATOM 0 H ALA A 119 -3.836 -9.567 -19.466 1.00 1.41 H new ATOM 0 HA ALA A 119 -2.963 -7.140 -18.433 1.00 4.31 H new ATOM 0 HB1 ALA A 119 -5.161 -6.299 -19.284 1.00 40.44 H new ATOM 0 HB2 ALA A 119 -4.373 -7.393 -20.445 1.00 40.44 H new ATOM 0 HB3 ALA A 119 -5.721 -7.980 -19.443 1.00 40.44 H new ATOM 1932 N GLU A 120 -5.515 -8.312 -16.670 1.00 32.44 N ATOM 1933 CA GLU A 120 -6.248 -8.143 -15.407 1.00 32.24 C ATOM 1934 C GLU A 120 -5.332 -8.243 -14.174 1.00 12.23 C ATOM 1935 O GLU A 120 -5.374 -7.384 -13.292 1.00 4.21 O ATOM 1936 CB GLU A 120 -7.387 -9.170 -15.305 1.00 63.33 C ATOM 1937 CG GLU A 120 -8.503 -8.953 -16.325 1.00 23.35 C ATOM 1938 CD GLU A 120 -9.208 -7.612 -16.150 1.00 60.44 C ATOM 1939 OE1 GLU A 120 -10.120 -7.523 -15.302 1.00 15.40 O ATOM 1940 OE2 GLU A 120 -8.852 -6.641 -16.854 1.00 75.01 O ATOM 0 H GLU A 120 -5.873 -9.060 -17.264 1.00 32.44 H new ATOM 0 HA GLU A 120 -6.667 -7.137 -15.417 1.00 32.24 H new ATOM 0 HB2 GLU A 120 -6.975 -10.170 -15.438 1.00 63.33 H new ATOM 0 HB3 GLU A 120 -7.811 -9.130 -14.302 1.00 63.33 H new ATOM 0 HG2 GLU A 120 -8.087 -9.011 -17.331 1.00 23.35 H new ATOM 0 HG3 GLU A 120 -9.233 -9.757 -16.235 1.00 23.35 H new ATOM 1947 N GLU A 121 -4.499 -9.279 -14.112 1.00 35.41 N ATOM 1948 CA GLU A 121 -3.601 -9.459 -12.966 1.00 41.43 C ATOM 1949 C GLU A 121 -2.514 -8.368 -12.924 1.00 12.32 C ATOM 1950 O GLU A 121 -2.212 -7.826 -11.859 1.00 21.54 O ATOM 1951 CB GLU A 121 -2.974 -10.862 -12.980 1.00 54.22 C ATOM 1952 CG GLU A 121 -4.005 -11.983 -12.854 1.00 44.05 C ATOM 1953 CD GLU A 121 -3.375 -13.343 -12.592 1.00 1.34 C ATOM 1954 OE1 GLU A 121 -3.108 -13.663 -11.417 1.00 13.30 O ATOM 1955 OE2 GLU A 121 -3.134 -14.095 -13.561 1.00 13.53 O ATOM 0 H GLU A 121 -4.424 -10.000 -14.830 1.00 35.41 H new ATOM 0 HA GLU A 121 -4.197 -9.361 -12.059 1.00 41.43 H new ATOM 0 HB2 GLU A 121 -2.415 -10.994 -13.906 1.00 54.22 H new ATOM 0 HB3 GLU A 121 -2.258 -10.941 -12.162 1.00 54.22 H new ATOM 0 HG2 GLU A 121 -4.694 -11.746 -12.044 1.00 44.05 H new ATOM 0 HG3 GLU A 121 -4.594 -12.032 -13.770 1.00 44.05 H new ATOM 1962 N GLU A 122 -1.950 -8.031 -14.086 1.00 43.21 N ATOM 1963 CA GLU A 122 -0.953 -6.956 -14.188 1.00 41.13 C ATOM 1964 C GLU A 122 -1.491 -5.627 -13.634 1.00 11.23 C ATOM 1965 O GLU A 122 -0.881 -5.020 -12.747 1.00 70.44 O ATOM 1966 CB GLU A 122 -0.516 -6.775 -15.650 1.00 60.05 C ATOM 1967 CG GLU A 122 0.451 -7.843 -16.148 1.00 43.54 C ATOM 1968 CD GLU A 122 1.843 -7.702 -15.549 1.00 61.11 C ATOM 1969 OE1 GLU A 122 2.661 -6.944 -16.113 1.00 53.42 O ATOM 1970 OE2 GLU A 122 2.131 -8.347 -14.517 1.00 54.33 O ATOM 0 H GLU A 122 -2.165 -8.487 -14.973 1.00 43.21 H new ATOM 0 HA GLU A 122 -0.093 -7.246 -13.585 1.00 41.13 H new ATOM 0 HB2 GLU A 122 -1.402 -6.777 -16.285 1.00 60.05 H new ATOM 0 HB3 GLU A 122 -0.048 -5.797 -15.759 1.00 60.05 H new ATOM 0 HG2 GLU A 122 0.054 -8.828 -15.905 1.00 43.54 H new ATOM 0 HG3 GLU A 122 0.520 -7.786 -17.234 1.00 43.54 H new ATOM 1977 N MET A 123 -2.638 -5.181 -14.153 1.00 64.21 N ATOM 1978 CA MET A 123 -3.237 -3.923 -13.702 1.00 20.30 C ATOM 1979 C MET A 123 -3.573 -3.967 -12.204 1.00 44.22 C ATOM 1980 O MET A 123 -3.276 -3.026 -11.475 1.00 61.43 O ATOM 1981 CB MET A 123 -4.496 -3.580 -14.518 1.00 61.44 C ATOM 1982 CG MET A 123 -5.635 -4.582 -14.378 1.00 41.21 C ATOM 1983 SD MET A 123 -7.151 -4.026 -15.180 1.00 63.42 S ATOM 1984 CE MET A 123 -7.501 -2.534 -14.247 1.00 62.34 C ATOM 0 H MET A 123 -3.166 -5.667 -14.878 1.00 64.21 H new ATOM 0 HA MET A 123 -2.497 -3.139 -13.864 1.00 20.30 H new ATOM 0 HB2 MET A 123 -4.855 -2.597 -14.212 1.00 61.44 H new ATOM 0 HB3 MET A 123 -4.222 -3.506 -15.570 1.00 61.44 H new ATOM 0 HG2 MET A 123 -5.330 -5.536 -14.808 1.00 41.21 H new ATOM 0 HG3 MET A 123 -5.831 -4.758 -13.320 1.00 41.21 H new ATOM 0 HE1 MET A 123 -8.566 -2.310 -14.305 1.00 62.34 H new ATOM 0 HE2 MET A 123 -7.217 -2.682 -13.205 1.00 62.34 H new ATOM 0 HE3 MET A 123 -6.932 -1.703 -14.664 1.00 62.34 H new ATOM 1994 N LEU A 124 -4.167 -5.068 -11.742 1.00 53.45 N ATOM 1995 CA LEU A 124 -4.579 -5.181 -10.336 1.00 70.24 C ATOM 1996 C LEU A 124 -3.383 -5.179 -9.369 1.00 13.33 C ATOM 1997 O LEU A 124 -3.485 -4.647 -8.265 1.00 51.04 O ATOM 1998 CB LEU A 124 -5.448 -6.427 -10.120 1.00 15.34 C ATOM 1999 CG LEU A 124 -6.847 -6.368 -10.768 1.00 52.43 C ATOM 2000 CD1 LEU A 124 -7.639 -7.639 -10.466 1.00 55.33 C ATOM 2001 CD2 LEU A 124 -7.612 -5.127 -10.302 1.00 45.11 C ATOM 0 H LEU A 124 -4.374 -5.889 -12.312 1.00 53.45 H new ATOM 0 HA LEU A 124 -5.172 -4.295 -10.110 1.00 70.24 H new ATOM 0 HB2 LEU A 124 -4.918 -7.294 -10.515 1.00 15.34 H new ATOM 0 HB3 LEU A 124 -5.567 -6.587 -9.048 1.00 15.34 H new ATOM 0 HG LEU A 124 -6.716 -6.298 -11.848 1.00 52.43 H new ATOM 0 HD11 LEU A 124 -8.622 -7.575 -10.933 1.00 55.33 H new ATOM 0 HD12 LEU A 124 -7.105 -8.503 -10.862 1.00 55.33 H new ATOM 0 HD13 LEU A 124 -7.756 -7.747 -9.388 1.00 55.33 H new ATOM 0 HD21 LEU A 124 -8.595 -5.108 -10.772 1.00 45.11 H new ATOM 0 HD22 LEU A 124 -7.729 -5.157 -9.219 1.00 45.11 H new ATOM 0 HD23 LEU A 124 -7.058 -4.231 -10.583 1.00 45.11 H new ATOM 2013 N TYR A 125 -2.254 -5.766 -9.775 1.00 40.44 N ATOM 2014 CA TYR A 125 -1.031 -5.719 -8.957 1.00 34.43 C ATOM 2015 C TYR A 125 -0.603 -4.268 -8.677 1.00 2.10 C ATOM 2016 O TYR A 125 -0.456 -3.864 -7.520 1.00 1.21 O ATOM 2017 CB TYR A 125 0.121 -6.487 -9.634 1.00 34.35 C ATOM 2018 CG TYR A 125 0.201 -7.954 -9.240 1.00 51.24 C ATOM 2019 CD1 TYR A 125 0.485 -8.317 -7.928 1.00 72.33 C ATOM 2020 CD2 TYR A 125 0.002 -8.969 -10.171 1.00 14.10 C ATOM 2021 CE1 TYR A 125 0.565 -9.646 -7.554 1.00 44.13 C ATOM 2022 CE2 TYR A 125 0.082 -10.301 -9.804 1.00 63.13 C ATOM 2023 CZ TYR A 125 0.366 -10.633 -8.496 1.00 31.34 C ATOM 2024 OH TYR A 125 0.451 -11.958 -8.128 1.00 51.03 O ATOM 0 H TYR A 125 -2.157 -6.275 -10.654 1.00 40.44 H new ATOM 0 HA TYR A 125 -1.259 -6.202 -8.007 1.00 34.43 H new ATOM 0 HB2 TYR A 125 0.004 -6.418 -10.716 1.00 34.35 H new ATOM 0 HB3 TYR A 125 1.064 -6.002 -9.383 1.00 34.35 H new ATOM 0 HD1 TYR A 125 0.646 -7.547 -7.188 1.00 72.33 H new ATOM 0 HD2 TYR A 125 -0.218 -8.713 -11.197 1.00 14.10 H new ATOM 0 HE1 TYR A 125 0.782 -9.909 -6.529 1.00 44.13 H new ATOM 0 HE2 TYR A 125 -0.077 -11.077 -10.538 1.00 63.13 H new ATOM 0 HH TYR A 125 0.291 -12.041 -7.165 1.00 51.03 H new ATOM 2034 N LYS A 126 -0.425 -3.485 -9.737 1.00 64.12 N ATOM 2035 CA LYS A 126 -0.026 -2.080 -9.595 1.00 41.31 C ATOM 2036 C LYS A 126 -1.181 -1.220 -9.052 1.00 53.44 C ATOM 2037 O LYS A 126 -0.959 -0.194 -8.409 1.00 33.24 O ATOM 2038 CB LYS A 126 0.468 -1.525 -10.940 1.00 4.45 C ATOM 2039 CG LYS A 126 -0.595 -1.496 -12.038 1.00 15.44 C ATOM 2040 CD LYS A 126 -0.029 -1.002 -13.368 1.00 42.04 C ATOM 2041 CE LYS A 126 0.546 0.405 -13.256 1.00 62.22 C ATOM 2042 NZ LYS A 126 1.196 0.845 -14.522 1.00 43.21 N ATOM 0 H LYS A 126 -0.549 -3.793 -10.701 1.00 64.12 H new ATOM 0 HA LYS A 126 0.790 -2.036 -8.874 1.00 41.31 H new ATOM 0 HB2 LYS A 126 0.842 -0.513 -10.786 1.00 4.45 H new ATOM 0 HB3 LYS A 126 1.310 -2.128 -11.281 1.00 4.45 H new ATOM 0 HG2 LYS A 126 -1.009 -2.496 -12.169 1.00 15.44 H new ATOM 0 HG3 LYS A 126 -1.416 -0.849 -11.731 1.00 15.44 H new ATOM 0 HD2 LYS A 126 0.749 -1.686 -13.707 1.00 42.04 H new ATOM 0 HD3 LYS A 126 -0.815 -1.014 -14.123 1.00 42.04 H new ATOM 0 HE2 LYS A 126 -0.250 1.102 -12.996 1.00 62.22 H new ATOM 0 HE3 LYS A 126 1.274 0.436 -12.445 1.00 62.22 H new ATOM 0 HZ1 LYS A 126 1.573 1.807 -14.402 1.00 43.21 H new ATOM 0 HZ2 LYS A 126 1.973 0.195 -14.758 1.00 43.21 H new ATOM 0 HZ3 LYS A 126 0.496 0.841 -15.291 1.00 43.21 H new ATOM 2056 N ASP A 127 -2.416 -1.650 -9.307 1.00 0.30 N ATOM 2057 CA ASP A 127 -3.595 -0.930 -8.825 1.00 62.25 C ATOM 2058 C ASP A 127 -3.713 -1.041 -7.295 1.00 41.02 C ATOM 2059 O ASP A 127 -4.013 -0.063 -6.612 1.00 43.24 O ATOM 2060 CB ASP A 127 -4.861 -1.469 -9.507 1.00 43.21 C ATOM 2061 CG ASP A 127 -6.010 -0.477 -9.463 1.00 74.30 C ATOM 2062 OD1 ASP A 127 -6.663 -0.360 -8.411 1.00 22.32 O ATOM 2063 OD2 ASP A 127 -6.252 0.206 -10.476 1.00 4.15 O ATOM 0 H ASP A 127 -2.626 -2.492 -9.843 1.00 0.30 H new ATOM 0 HA ASP A 127 -3.485 0.124 -9.079 1.00 62.25 H new ATOM 0 HB2 ASP A 127 -4.635 -1.713 -10.545 1.00 43.21 H new ATOM 0 HB3 ASP A 127 -5.166 -2.396 -9.021 1.00 43.21 H new ATOM 2068 N MET A 128 -3.462 -2.240 -6.763 1.00 73.30 N ATOM 2069 CA MET A 128 -3.448 -2.451 -5.312 1.00 12.22 C ATOM 2070 C MET A 128 -2.295 -1.679 -4.655 1.00 63.42 C ATOM 2071 O MET A 128 -2.438 -1.167 -3.548 1.00 74.01 O ATOM 2072 CB MET A 128 -3.351 -3.946 -4.973 1.00 2.21 C ATOM 2073 CG MET A 128 -4.575 -4.750 -5.395 1.00 24.44 C ATOM 2074 SD MET A 128 -4.473 -6.484 -4.909 1.00 41.04 S ATOM 2075 CE MET A 128 -3.001 -7.010 -5.786 1.00 72.05 C ATOM 0 H MET A 128 -3.266 -3.077 -7.312 1.00 73.30 H new ATOM 0 HA MET A 128 -4.388 -2.069 -4.914 1.00 12.22 H new ATOM 0 HB2 MET A 128 -2.468 -4.363 -5.458 1.00 2.21 H new ATOM 0 HB3 MET A 128 -3.207 -4.057 -3.898 1.00 2.21 H new ATOM 0 HG2 MET A 128 -5.466 -4.305 -4.953 1.00 24.44 H new ATOM 0 HG3 MET A 128 -4.690 -4.687 -6.477 1.00 24.44 H new ATOM 0 HE1 MET A 128 -2.920 -8.096 -5.742 1.00 72.05 H new ATOM 0 HE2 MET A 128 -3.064 -6.692 -6.827 1.00 72.05 H new ATOM 0 HE3 MET A 128 -2.122 -6.562 -5.323 1.00 72.05 H new ATOM 2085 N GLN A 129 -1.154 -1.602 -5.343 1.00 32.32 N ATOM 2086 CA GLN A 129 -0.032 -0.771 -4.882 1.00 14.50 C ATOM 2087 C GLN A 129 -0.472 0.700 -4.794 1.00 31.53 C ATOM 2088 O GLN A 129 -0.171 1.394 -3.821 1.00 13.41 O ATOM 2089 CB GLN A 129 1.177 -0.931 -5.831 1.00 23.21 C ATOM 2090 CG GLN A 129 2.449 -0.201 -5.380 1.00 11.32 C ATOM 2091 CD GLN A 129 2.437 1.294 -5.678 1.00 24.44 C ATOM 2092 OE1 GLN A 129 1.848 1.743 -6.656 1.00 51.24 O ATOM 2093 NE2 GLN A 129 3.078 2.074 -4.831 1.00 32.43 N ATOM 0 H GLN A 129 -0.980 -2.100 -6.216 1.00 32.32 H new ATOM 0 HA GLN A 129 0.273 -1.100 -3.888 1.00 14.50 H new ATOM 0 HB2 GLN A 129 1.402 -1.993 -5.935 1.00 23.21 H new ATOM 0 HB3 GLN A 129 0.896 -0.566 -6.819 1.00 23.21 H new ATOM 0 HG2 GLN A 129 2.580 -0.348 -4.308 1.00 11.32 H new ATOM 0 HG3 GLN A 129 3.310 -0.653 -5.871 1.00 11.32 H new ATOM 0 HE21 GLN A 129 3.558 1.669 -4.027 1.00 32.43 H new ATOM 0 HE22 GLN A 129 3.094 3.083 -4.979 1.00 32.43 H new ATOM 2102 N LYS A 130 -1.192 1.158 -5.822 1.00 51.11 N ATOM 2103 CA LYS A 130 -1.789 2.499 -5.830 1.00 62.20 C ATOM 2104 C LYS A 130 -2.623 2.750 -4.563 1.00 22.13 C ATOM 2105 O LYS A 130 -2.324 3.653 -3.784 1.00 10.42 O ATOM 2106 CB LYS A 130 -2.656 2.685 -7.088 1.00 52.44 C ATOM 2107 CG LYS A 130 -3.632 3.858 -7.015 1.00 5.21 C ATOM 2108 CD LYS A 130 -4.398 4.054 -8.323 1.00 1.44 C ATOM 2109 CE LYS A 130 -5.094 2.777 -8.793 1.00 4.51 C ATOM 2110 NZ LYS A 130 -6.063 2.246 -7.794 1.00 63.23 N ATOM 0 H LYS A 130 -1.377 0.616 -6.666 1.00 51.11 H new ATOM 0 HA LYS A 130 -0.979 3.228 -5.844 1.00 62.20 H new ATOM 0 HB2 LYS A 130 -2.001 2.826 -7.948 1.00 52.44 H new ATOM 0 HB3 LYS A 130 -3.220 1.769 -7.264 1.00 52.44 H new ATOM 0 HG2 LYS A 130 -4.340 3.690 -6.203 1.00 5.21 H new ATOM 0 HG3 LYS A 130 -3.084 4.770 -6.776 1.00 5.21 H new ATOM 0 HD2 LYS A 130 -5.141 4.841 -8.190 1.00 1.44 H new ATOM 0 HD3 LYS A 130 -3.709 4.393 -9.096 1.00 1.44 H new ATOM 0 HE2 LYS A 130 -5.617 2.977 -9.728 1.00 4.51 H new ATOM 0 HE3 LYS A 130 -4.343 2.016 -9.004 1.00 4.51 H new ATOM 0 HZ1 LYS A 130 -6.530 1.400 -8.179 1.00 63.23 H new ATOM 0 HZ2 LYS A 130 -5.558 1.996 -6.920 1.00 63.23 H new ATOM 0 HZ3 LYS A 130 -6.779 2.971 -7.585 1.00 63.23 H new ATOM 2124 N ASP A 131 -3.662 1.943 -4.356 1.00 34.33 N ATOM 2125 CA ASP A 131 -4.517 2.082 -3.170 1.00 42.12 C ATOM 2126 C ASP A 131 -3.704 1.968 -1.873 1.00 12.33 C ATOM 2127 O ASP A 131 -3.953 2.694 -0.920 1.00 73.41 O ATOM 2128 CB ASP A 131 -5.630 1.035 -3.187 1.00 50.21 C ATOM 2129 CG ASP A 131 -6.612 1.280 -4.313 1.00 63.45 C ATOM 2130 OD1 ASP A 131 -6.264 1.009 -5.477 1.00 34.14 O ATOM 2131 OD2 ASP A 131 -7.733 1.758 -4.049 1.00 62.21 O ATOM 0 H ASP A 131 -3.934 1.190 -4.987 1.00 34.33 H new ATOM 0 HA ASP A 131 -4.963 3.076 -3.201 1.00 42.12 H new ATOM 0 HB2 ASP A 131 -5.194 0.042 -3.294 1.00 50.21 H new ATOM 0 HB3 ASP A 131 -6.158 1.050 -2.234 1.00 50.21 H new ATOM 2136 N ALA A 132 -2.729 1.065 -1.855 1.00 20.03 N ATOM 2137 CA ALA A 132 -1.856 0.888 -0.688 1.00 50.04 C ATOM 2138 C ALA A 132 -1.152 2.195 -0.301 1.00 63.10 C ATOM 2139 O ALA A 132 -1.263 2.668 0.833 1.00 23.52 O ATOM 2140 CB ALA A 132 -0.825 -0.197 -0.972 1.00 52.41 C ATOM 0 H ALA A 132 -2.519 0.441 -2.634 1.00 20.03 H new ATOM 0 HA ALA A 132 -2.480 0.588 0.153 1.00 50.04 H new ATOM 0 HB1 ALA A 132 -0.181 -0.323 -0.102 1.00 52.41 H new ATOM 0 HB2 ALA A 132 -1.335 -1.137 -1.185 1.00 52.41 H new ATOM 0 HB3 ALA A 132 -0.221 0.091 -1.832 1.00 52.41 H new ATOM 2146 N VAL A 133 -0.441 2.782 -1.258 1.00 13.42 N ATOM 2147 CA VAL A 133 0.326 4.005 -1.009 1.00 31.21 C ATOM 2148 C VAL A 133 -0.595 5.219 -0.762 1.00 51.31 C ATOM 2149 O VAL A 133 -0.241 6.141 -0.022 1.00 32.52 O ATOM 2150 CB VAL A 133 1.305 4.294 -2.183 1.00 64.32 C ATOM 2151 CG1 VAL A 133 0.556 4.670 -3.462 1.00 14.14 C ATOM 2152 CG2 VAL A 133 2.319 5.371 -1.800 1.00 53.43 C ATOM 0 H VAL A 133 -0.378 2.433 -2.214 1.00 13.42 H new ATOM 0 HA VAL A 133 0.908 3.842 -0.102 1.00 31.21 H new ATOM 0 HB VAL A 133 1.853 3.374 -2.386 1.00 64.32 H new ATOM 0 HG11 VAL A 133 1.273 4.865 -4.260 1.00 14.14 H new ATOM 0 HG12 VAL A 133 -0.099 3.849 -3.755 1.00 14.14 H new ATOM 0 HG13 VAL A 133 -0.041 5.565 -3.284 1.00 14.14 H new ATOM 0 HG21 VAL A 133 2.991 5.553 -2.639 1.00 53.43 H new ATOM 0 HG22 VAL A 133 1.794 6.293 -1.549 1.00 53.43 H new ATOM 0 HG23 VAL A 133 2.897 5.037 -0.938 1.00 53.43 H new ATOM 2162 N GLN A 134 -1.785 5.210 -1.371 1.00 44.11 N ATOM 2163 CA GLN A 134 -2.774 6.276 -1.152 1.00 52.23 C ATOM 2164 C GLN A 134 -3.409 6.174 0.247 1.00 24.21 C ATOM 2165 O GLN A 134 -3.553 7.178 0.943 1.00 12.31 O ATOM 2166 CB GLN A 134 -3.871 6.237 -2.231 1.00 70.43 C ATOM 2167 CG GLN A 134 -3.365 6.474 -3.653 1.00 32.42 C ATOM 2168 CD GLN A 134 -2.621 7.788 -3.810 1.00 33.12 C ATOM 2169 OE1 GLN A 134 -1.319 7.749 -3.632 1.00 32.42 O flip ATOM 2170 NE2 GLN A 134 -3.206 8.825 -4.100 1.00 12.12 N flip ATOM 0 H GLN A 134 -2.088 4.481 -2.017 1.00 44.11 H new ATOM 0 HA GLN A 134 -2.247 7.227 -1.220 1.00 52.23 H new ATOM 0 HB2 GLN A 134 -4.368 5.268 -2.192 1.00 70.43 H new ATOM 0 HB3 GLN A 134 -4.623 6.990 -1.995 1.00 70.43 H new ATOM 0 HG2 GLN A 134 -2.706 5.654 -3.939 1.00 32.42 H new ATOM 0 HG3 GLN A 134 -4.211 6.458 -4.340 1.00 32.42 H new ATOM 0 HE21 GLN A 134 -4.218 8.820 -4.231 1.00 12.12 H new ATOM 0 HE22 GLN A 134 -2.681 9.693 -4.210 1.00 12.12 H new ATOM 2179 N GLN A 135 -3.784 4.956 0.650 1.00 74.45 N ATOM 2180 CA GLN A 135 -4.359 4.711 1.983 1.00 33.13 C ATOM 2181 C GLN A 135 -3.433 5.230 3.091 1.00 73.54 C ATOM 2182 O GLN A 135 -3.875 5.925 4.007 1.00 52.31 O ATOM 2183 CB GLN A 135 -4.623 3.207 2.192 1.00 31.35 C ATOM 2184 CG GLN A 135 -5.791 2.647 1.384 1.00 24.13 C ATOM 2185 CD GLN A 135 -7.136 3.174 1.850 1.00 42.35 C ATOM 2186 OE1 GLN A 135 -7.626 4.191 1.366 1.00 71.12 O ATOM 2187 NE2 GLN A 135 -7.738 2.498 2.808 1.00 2.32 N ATOM 0 H GLN A 135 -3.701 4.120 0.072 1.00 74.45 H new ATOM 0 HA GLN A 135 -5.304 5.252 2.038 1.00 33.13 H new ATOM 0 HB2 GLN A 135 -3.721 2.654 1.932 1.00 31.35 H new ATOM 0 HB3 GLN A 135 -4.812 3.029 3.251 1.00 31.35 H new ATOM 0 HG2 GLN A 135 -5.652 2.898 0.332 1.00 24.13 H new ATOM 0 HG3 GLN A 135 -5.788 1.559 1.455 1.00 24.13 H new ATOM 0 HE21 GLN A 135 -7.304 1.657 3.189 1.00 2.32 H new ATOM 0 HE22 GLN A 135 -8.638 2.816 3.169 1.00 2.32 H new ATOM 2196 N ILE A 136 -2.147 4.886 2.992 1.00 53.34 N ATOM 2197 CA ILE A 136 -1.142 5.350 3.952 1.00 10.22 C ATOM 2198 C ILE A 136 -1.133 6.883 4.048 1.00 53.25 C ATOM 2199 O ILE A 136 -1.480 7.453 5.083 1.00 51.11 O ATOM 2200 CB ILE A 136 0.280 4.858 3.569 1.00 63.32 C ATOM 2201 CG1 ILE A 136 0.329 3.321 3.529 1.00 33.40 C ATOM 2202 CG2 ILE A 136 1.327 5.405 4.541 1.00 65.01 C ATOM 2203 CD1 ILE A 136 1.674 2.765 3.108 1.00 20.44 C ATOM 0 H ILE A 136 -1.776 4.286 2.255 1.00 53.34 H new ATOM 0 HA ILE A 136 -1.414 4.930 4.920 1.00 10.22 H new ATOM 0 HB ILE A 136 0.512 5.236 2.573 1.00 63.32 H new ATOM 0 HG12 ILE A 136 0.078 2.933 4.516 1.00 33.40 H new ATOM 0 HG13 ILE A 136 -0.435 2.960 2.841 1.00 33.40 H new ATOM 0 HG21 ILE A 136 2.315 5.046 4.252 1.00 65.01 H new ATOM 0 HG22 ILE A 136 1.314 6.495 4.514 1.00 65.01 H new ATOM 0 HG23 ILE A 136 1.099 5.064 5.551 1.00 65.01 H new ATOM 0 HD11 ILE A 136 1.632 1.676 3.103 1.00 20.44 H new ATOM 0 HD12 ILE A 136 1.919 3.123 2.108 1.00 20.44 H new ATOM 0 HD13 ILE A 136 2.440 3.095 3.809 1.00 20.44 H new ATOM 2215 N LEU A 137 -0.765 7.545 2.951 1.00 51.53 N ATOM 2216 CA LEU A 137 -0.652 9.009 2.921 1.00 65.40 C ATOM 2217 C LEU A 137 -1.964 9.699 3.338 1.00 73.22 C ATOM 2218 O LEU A 137 -1.959 10.659 4.117 1.00 64.34 O ATOM 2219 CB LEU A 137 -0.237 9.475 1.518 1.00 42.41 C ATOM 2220 CG LEU A 137 -0.077 10.995 1.352 1.00 1.44 C ATOM 2221 CD1 LEU A 137 0.972 11.544 2.321 1.00 75.02 C ATOM 2222 CD2 LEU A 137 0.282 11.341 -0.090 1.00 43.44 C ATOM 0 H LEU A 137 -0.539 7.091 2.066 1.00 51.53 H new ATOM 0 HA LEU A 137 0.113 9.294 3.644 1.00 65.40 H new ATOM 0 HB2 LEU A 137 0.707 8.996 1.258 1.00 42.41 H new ATOM 0 HB3 LEU A 137 -0.980 9.124 0.802 1.00 42.41 H new ATOM 0 HG LEU A 137 -1.031 11.466 1.590 1.00 1.44 H new ATOM 0 HD11 LEU A 137 1.066 12.621 2.183 1.00 75.02 H new ATOM 0 HD12 LEU A 137 0.666 11.335 3.346 1.00 75.02 H new ATOM 0 HD13 LEU A 137 1.933 11.068 2.125 1.00 75.02 H new ATOM 0 HD21 LEU A 137 0.391 12.421 -0.189 1.00 43.44 H new ATOM 0 HD22 LEU A 137 1.220 10.855 -0.358 1.00 43.44 H new ATOM 0 HD23 LEU A 137 -0.509 10.994 -0.755 1.00 43.44 H new ATOM 2234 N ARG A 138 -3.087 9.204 2.824 1.00 63.21 N ATOM 2235 CA ARG A 138 -4.398 9.772 3.146 1.00 52.10 C ATOM 2236 C ARG A 138 -4.690 9.679 4.652 1.00 51.11 C ATOM 2237 O ARG A 138 -5.166 10.636 5.253 1.00 64.34 O ATOM 2238 CB ARG A 138 -5.502 9.081 2.322 1.00 62.13 C ATOM 2239 CG ARG A 138 -6.910 9.658 2.531 1.00 52.53 C ATOM 2240 CD ARG A 138 -7.695 8.918 3.613 1.00 4.11 C ATOM 2241 NE ARG A 138 -8.020 7.549 3.212 1.00 14.05 N ATOM 2242 CZ ARG A 138 -8.391 6.606 4.034 1.00 14.41 C ATOM 2243 NH1 ARG A 138 -8.451 6.821 5.309 1.00 11.32 N ATOM 2244 NH2 ARG A 138 -8.694 5.439 3.575 1.00 11.10 N ATOM 0 H ARG A 138 -3.118 8.411 2.183 1.00 63.21 H new ATOM 0 HA ARG A 138 -4.385 10.829 2.880 1.00 52.10 H new ATOM 0 HB2 ARG A 138 -5.247 9.153 1.265 1.00 62.13 H new ATOM 0 HB3 ARG A 138 -5.517 8.021 2.575 1.00 62.13 H new ATOM 0 HG2 ARG A 138 -6.830 10.711 2.801 1.00 52.53 H new ATOM 0 HG3 ARG A 138 -7.461 9.611 1.592 1.00 52.53 H new ATOM 0 HD2 ARG A 138 -7.113 8.898 4.534 1.00 4.11 H new ATOM 0 HD3 ARG A 138 -8.615 9.461 3.829 1.00 4.11 H new ATOM 0 HE ARG A 138 -7.952 7.316 2.221 1.00 14.05 H new ATOM 0 HH11 ARG A 138 -8.206 7.738 5.684 1.00 11.32 H new ATOM 0 HH12 ARG A 138 -8.743 6.074 5.939 1.00 11.32 H new ATOM 0 HH21 ARG A 138 -8.643 5.256 2.573 1.00 11.10 H new ATOM 0 HH22 ARG A 138 -8.984 4.699 4.214 1.00 11.10 H new ATOM 2258 N GLN A 139 -4.395 8.537 5.263 1.00 13.11 N ATOM 2259 CA GLN A 139 -4.620 8.368 6.702 1.00 42.32 C ATOM 2260 C GLN A 139 -3.590 9.164 7.528 1.00 73.55 C ATOM 2261 O GLN A 139 -3.905 9.672 8.604 1.00 70.33 O ATOM 2262 CB GLN A 139 -4.577 6.882 7.081 1.00 61.40 C ATOM 2263 CG GLN A 139 -4.990 6.605 8.525 1.00 65.00 C ATOM 2264 CD GLN A 139 -6.429 7.010 8.824 1.00 4.53 C ATOM 2265 OE1 GLN A 139 -7.302 6.956 7.962 1.00 13.41 O ATOM 2266 NE2 GLN A 139 -6.688 7.420 10.050 1.00 34.45 N ATOM 0 H GLN A 139 -4.004 7.720 4.794 1.00 13.11 H new ATOM 0 HA GLN A 139 -5.610 8.761 6.933 1.00 42.32 H new ATOM 0 HB2 GLN A 139 -5.234 6.326 6.412 1.00 61.40 H new ATOM 0 HB3 GLN A 139 -3.567 6.505 6.923 1.00 61.40 H new ATOM 0 HG2 GLN A 139 -4.867 5.542 8.734 1.00 65.00 H new ATOM 0 HG3 GLN A 139 -4.321 7.142 9.197 1.00 65.00 H new ATOM 0 HE21 GLN A 139 -5.942 7.454 10.745 1.00 34.45 H new ATOM 0 HE22 GLN A 139 -7.634 7.703 10.304 1.00 34.45 H new ATOM 2275 N VAL A 140 -2.363 9.279 7.013 1.00 74.24 N ATOM 2276 CA VAL A 140 -1.309 10.074 7.666 1.00 11.24 C ATOM 2277 C VAL A 140 -1.697 11.563 7.744 1.00 14.32 C ATOM 2278 O VAL A 140 -1.257 12.291 8.634 1.00 3.31 O ATOM 2279 CB VAL A 140 0.053 9.919 6.928 1.00 23.53 C ATOM 2280 CG1 VAL A 140 1.102 10.898 7.464 1.00 13.40 C ATOM 2281 CG2 VAL A 140 0.561 8.480 7.045 1.00 11.12 C ATOM 0 H VAL A 140 -2.070 8.832 6.144 1.00 74.24 H new ATOM 0 HA VAL A 140 -1.201 9.691 8.681 1.00 11.24 H new ATOM 0 HB VAL A 140 -0.113 10.154 5.877 1.00 23.53 H new ATOM 0 HG11 VAL A 140 2.039 10.759 6.924 1.00 13.40 H new ATOM 0 HG12 VAL A 140 0.751 11.920 7.324 1.00 13.40 H new ATOM 0 HG13 VAL A 140 1.264 10.712 8.526 1.00 13.40 H new ATOM 0 HG21 VAL A 140 1.514 8.387 6.524 1.00 11.12 H new ATOM 0 HG22 VAL A 140 0.696 8.226 8.096 1.00 11.12 H new ATOM 0 HG23 VAL A 140 -0.165 7.801 6.598 1.00 11.12 H new ATOM 2291 N SER A 141 -2.529 12.008 6.810 1.00 41.21 N ATOM 2292 CA SER A 141 -3.044 13.385 6.825 1.00 71.32 C ATOM 2293 C SER A 141 -4.427 13.462 7.495 1.00 71.41 C ATOM 2294 O SER A 141 -4.761 14.457 8.145 1.00 2.34 O ATOM 2295 CB SER A 141 -3.122 13.943 5.398 1.00 24.51 C ATOM 2296 OG SER A 141 -3.940 13.135 4.566 1.00 52.30 O ATOM 0 H SER A 141 -2.865 11.442 6.031 1.00 41.21 H new ATOM 0 HA SER A 141 -2.351 13.990 7.409 1.00 71.32 H new ATOM 0 HB2 SER A 141 -3.519 14.958 5.425 1.00 24.51 H new ATOM 0 HB3 SER A 141 -2.119 14.004 4.975 1.00 24.51 H new ATOM 0 HG SER A 141 -4.260 12.361 5.074 1.00 52.30 H new ATOM 2302 N ALA A 142 -5.221 12.403 7.345 1.00 52.40 N ATOM 2303 CA ALA A 142 -6.593 12.366 7.877 1.00 21.14 C ATOM 2304 C ALA A 142 -6.656 12.049 9.381 1.00 31.31 C ATOM 2305 O ALA A 142 -7.614 12.429 10.051 1.00 72.32 O ATOM 2306 CB ALA A 142 -7.431 11.355 7.101 1.00 54.03 C ATOM 0 H ALA A 142 -4.941 11.552 6.857 1.00 52.40 H new ATOM 0 HA ALA A 142 -6.999 13.369 7.749 1.00 21.14 H new ATOM 0 HB1 ALA A 142 -8.444 11.337 7.504 1.00 54.03 H new ATOM 0 HB2 ALA A 142 -7.464 11.640 6.049 1.00 54.03 H new ATOM 0 HB3 ALA A 142 -6.985 10.365 7.195 1.00 54.03 H new ATOM 2312 N PHE A 143 -5.641 11.366 9.921 1.00 71.13 N ATOM 2313 CA PHE A 143 -5.672 10.938 11.332 1.00 70.51 C ATOM 2314 C PHE A 143 -5.838 12.141 12.278 1.00 42.54 C ATOM 2315 O PHE A 143 -6.423 12.022 13.353 1.00 31.23 O ATOM 2316 CB PHE A 143 -4.406 10.133 11.706 1.00 13.23 C ATOM 2317 CG PHE A 143 -3.231 10.966 12.166 1.00 4.52 C ATOM 2318 CD1 PHE A 143 -2.369 11.548 11.252 1.00 1.51 C ATOM 2319 CD2 PHE A 143 -2.987 11.158 13.522 1.00 65.31 C ATOM 2320 CE1 PHE A 143 -1.292 12.305 11.676 1.00 30.34 C ATOM 2321 CE2 PHE A 143 -1.911 11.912 13.948 1.00 14.14 C ATOM 2322 CZ PHE A 143 -1.063 12.487 13.024 1.00 60.32 C ATOM 0 H PHE A 143 -4.797 11.099 9.415 1.00 71.13 H new ATOM 0 HA PHE A 143 -6.538 10.286 11.451 1.00 70.51 H new ATOM 0 HB2 PHE A 143 -4.663 9.427 12.496 1.00 13.23 H new ATOM 0 HB3 PHE A 143 -4.099 9.545 10.841 1.00 13.23 H new ATOM 0 HD1 PHE A 143 -2.540 11.409 10.195 1.00 1.51 H new ATOM 0 HD2 PHE A 143 -3.647 10.712 14.251 1.00 65.31 H new ATOM 0 HE1 PHE A 143 -0.630 12.754 10.951 1.00 30.34 H new ATOM 0 HE2 PHE A 143 -1.734 12.051 15.004 1.00 14.14 H new ATOM 0 HZ PHE A 143 -0.222 13.078 13.355 1.00 60.32 H new ATOM 2332 N THR A 144 -5.315 13.296 11.863 1.00 11.22 N ATOM 2333 CA THR A 144 -5.427 14.537 12.648 1.00 62.14 C ATOM 2334 C THR A 144 -6.522 15.463 12.091 1.00 3.33 C ATOM 2335 O THR A 144 -6.828 16.506 12.673 1.00 32.23 O ATOM 2336 CB THR A 144 -4.081 15.302 12.685 1.00 54.34 C ATOM 2337 OG1 THR A 144 -4.200 16.493 13.479 1.00 31.23 O ATOM 2338 CG2 THR A 144 -3.617 15.672 11.277 1.00 54.21 C ATOM 0 H THR A 144 -4.807 13.403 10.985 1.00 11.22 H new ATOM 0 HA THR A 144 -5.699 14.242 13.662 1.00 62.14 H new ATOM 0 HB THR A 144 -3.339 14.641 13.134 1.00 54.34 H new ATOM 0 HG1 THR A 144 -5.144 16.749 13.545 1.00 31.23 H new ATOM 0 HG21 THR A 144 -2.670 16.208 11.335 1.00 54.21 H new ATOM 0 HG22 THR A 144 -3.485 14.765 10.687 1.00 54.21 H new ATOM 0 HG23 THR A 144 -4.365 16.307 10.803 1.00 54.21 H new ATOM 2346 N SER A 145 -7.115 15.075 10.963 1.00 24.11 N ATOM 2347 CA SER A 145 -8.193 15.862 10.340 1.00 74.33 C ATOM 2348 C SER A 145 -9.572 15.335 10.765 1.00 11.03 C ATOM 2349 O SER A 145 -10.252 14.651 10.001 1.00 62.53 O ATOM 2350 CB SER A 145 -8.075 15.842 8.803 1.00 35.41 C ATOM 2351 OG SER A 145 -6.851 16.420 8.361 1.00 1.54 O ATOM 0 H SER A 145 -6.872 14.223 10.458 1.00 24.11 H new ATOM 0 HA SER A 145 -8.090 16.891 10.684 1.00 74.33 H new ATOM 0 HB2 SER A 145 -8.142 14.814 8.446 1.00 35.41 H new ATOM 0 HB3 SER A 145 -8.913 16.386 8.367 1.00 35.41 H new ATOM 0 HG SER A 145 -6.168 15.721 8.286 1.00 1.54 H new ATOM 2357 N ALA A 146 -9.977 15.665 11.992 1.00 53.43 N ATOM 2358 CA ALA A 146 -11.242 15.180 12.566 1.00 22.14 C ATOM 2359 C ALA A 146 -12.470 15.571 11.718 1.00 53.02 C ATOM 2360 O ALA A 146 -13.542 14.977 11.853 1.00 40.22 O ATOM 2361 CB ALA A 146 -11.395 15.699 13.992 1.00 12.42 C ATOM 0 H ALA A 146 -9.445 16.272 12.616 1.00 53.43 H new ATOM 0 HA ALA A 146 -11.199 14.091 12.572 1.00 22.14 H new ATOM 0 HB1 ALA A 146 -12.333 15.337 14.412 1.00 12.42 H new ATOM 0 HB2 ALA A 146 -10.564 15.343 14.600 1.00 12.42 H new ATOM 0 HB3 ALA A 146 -11.398 16.789 13.984 1.00 12.42 H new ATOM 2367 N GLY A 147 -12.308 16.579 10.860 1.00 21.22 N ATOM 2368 CA GLY A 147 -13.385 16.993 9.964 1.00 12.21 C ATOM 2369 C GLY A 147 -13.679 15.966 8.869 1.00 2.44 C ATOM 2370 O GLY A 147 -14.814 15.855 8.398 1.00 44.33 O ATOM 0 H GLY A 147 -11.448 17.119 10.768 1.00 21.22 H new ATOM 0 HA2 GLY A 147 -14.290 17.164 10.547 1.00 12.21 H new ATOM 0 HA3 GLY A 147 -13.120 17.944 9.501 1.00 12.21 H new ATOM 2374 N LEU A 148 -12.655 15.212 8.471 1.00 2.34 N ATOM 2375 CA LEU A 148 -12.799 14.179 7.439 1.00 14.33 C ATOM 2376 C LEU A 148 -11.757 13.065 7.656 1.00 2.13 C ATOM 2377 O LEU A 148 -10.613 13.170 7.215 1.00 14.22 O ATOM 2378 CB LEU A 148 -12.663 14.806 6.032 1.00 55.35 C ATOM 2379 CG LEU A 148 -13.165 13.956 4.841 1.00 5.42 C ATOM 2380 CD1 LEU A 148 -12.241 12.776 4.551 1.00 50.34 C ATOM 2381 CD2 LEU A 148 -14.594 13.472 5.094 1.00 35.55 C ATOM 0 H LEU A 148 -11.711 15.296 8.848 1.00 2.34 H new ATOM 0 HA LEU A 148 -13.791 13.734 7.515 1.00 14.33 H new ATOM 0 HB2 LEU A 148 -13.205 15.752 6.027 1.00 55.35 H new ATOM 0 HB3 LEU A 148 -11.612 15.040 5.864 1.00 55.35 H new ATOM 0 HG LEU A 148 -13.160 14.595 3.958 1.00 5.42 H new ATOM 0 HD11 LEU A 148 -12.632 12.207 3.708 1.00 50.34 H new ATOM 0 HD12 LEU A 148 -11.244 13.145 4.309 1.00 50.34 H new ATOM 0 HD13 LEU A 148 -12.186 12.132 5.429 1.00 50.34 H new ATOM 0 HD21 LEU A 148 -14.932 12.876 4.246 1.00 35.55 H new ATOM 0 HD22 LEU A 148 -14.617 12.864 5.998 1.00 35.55 H new ATOM 0 HD23 LEU A 148 -15.253 14.332 5.218 1.00 35.55 H new ATOM 2393 N GLU A 149 -12.166 12.007 8.353 1.00 72.30 N ATOM 2394 CA GLU A 149 -11.261 10.901 8.696 1.00 4.53 C ATOM 2395 C GLU A 149 -11.493 9.662 7.814 1.00 71.20 C ATOM 2396 O GLU A 149 -10.547 8.980 7.418 1.00 23.42 O ATOM 2397 CB GLU A 149 -11.466 10.502 10.165 1.00 34.14 C ATOM 2398 CG GLU A 149 -11.321 11.649 11.159 1.00 62.40 C ATOM 2399 CD GLU A 149 -11.679 11.239 12.582 1.00 74.45 C ATOM 2400 OE1 GLU A 149 -12.889 11.135 12.888 1.00 41.50 O ATOM 2401 OE2 GLU A 149 -10.761 11.024 13.401 1.00 11.12 O ATOM 0 H GLU A 149 -13.120 11.888 8.694 1.00 72.30 H new ATOM 0 HA GLU A 149 -10.244 11.254 8.527 1.00 4.53 H new ATOM 0 HB2 GLU A 149 -12.459 10.067 10.275 1.00 34.14 H new ATOM 0 HB3 GLU A 149 -10.747 9.724 10.420 1.00 34.14 H new ATOM 0 HG2 GLU A 149 -10.295 12.016 11.138 1.00 62.40 H new ATOM 0 HG3 GLU A 149 -11.961 12.475 10.851 1.00 62.40 H new ATOM 2408 N HIS A 150 -12.767 9.376 7.516 1.00 3.04 N ATOM 2409 CA HIS A 150 -13.167 8.094 6.922 1.00 32.45 C ATOM 2410 C HIS A 150 -12.807 6.937 7.868 1.00 14.24 C ATOM 2411 O HIS A 150 -12.250 5.918 7.461 1.00 12.43 O ATOM 2412 CB HIS A 150 -12.556 7.896 5.520 1.00 13.43 C ATOM 2413 CG HIS A 150 -13.325 8.594 4.434 1.00 35.44 C ATOM 2414 ND1 HIS A 150 -12.764 9.505 3.563 1.00 65.12 N ATOM 2415 CD2 HIS A 150 -14.626 8.486 4.065 1.00 44.42 C ATOM 2416 CE1 HIS A 150 -13.682 9.930 2.717 1.00 32.14 C ATOM 2417 NE2 HIS A 150 -14.818 9.326 2.996 1.00 23.33 N ATOM 0 H HIS A 150 -13.542 10.019 7.678 1.00 3.04 H new ATOM 0 HA HIS A 150 -14.249 8.104 6.789 1.00 32.45 H new ATOM 0 HB2 HIS A 150 -11.530 8.263 5.523 1.00 13.43 H new ATOM 0 HB3 HIS A 150 -12.512 6.830 5.297 1.00 13.43 H new ATOM 0 HD2 HIS A 150 -15.372 7.856 4.526 1.00 44.42 H new ATOM 0 HE1 HIS A 150 -13.528 10.652 1.928 1.00 32.14 H new ATOM 0 HE2 HIS A 150 -15.698 9.460 2.499 1.00 23.33 H new ATOM 2426 N HIS A 151 -13.163 7.113 9.142 1.00 1.43 N ATOM 2427 CA HIS A 151 -12.885 6.124 10.190 1.00 71.32 C ATOM 2428 C HIS A 151 -13.809 4.894 10.069 1.00 71.54 C ATOM 2429 O HIS A 151 -13.611 3.885 10.748 1.00 73.11 O ATOM 2430 CB HIS A 151 -13.047 6.788 11.570 1.00 2.42 C ATOM 2431 CG HIS A 151 -12.660 5.918 12.730 1.00 2.25 C ATOM 2432 ND1 HIS A 151 -11.373 5.840 13.214 1.00 73.01 N ATOM 2433 CD2 HIS A 151 -13.399 5.089 13.506 1.00 3.04 C ATOM 2434 CE1 HIS A 151 -11.338 5.002 14.229 1.00 64.43 C ATOM 2435 NE2 HIS A 151 -12.552 4.532 14.428 1.00 44.31 N ATOM 0 H HIS A 151 -13.651 7.943 9.478 1.00 1.43 H new ATOM 0 HA HIS A 151 -11.861 5.771 10.071 1.00 71.32 H new ATOM 0 HB2 HIS A 151 -12.443 7.695 11.595 1.00 2.42 H new ATOM 0 HB3 HIS A 151 -14.086 7.093 11.692 1.00 2.42 H new ATOM 0 HD2 HIS A 151 -14.459 4.902 13.415 1.00 3.04 H new ATOM 0 HE1 HIS A 151 -10.460 4.743 14.803 1.00 64.43 H new ATOM 0 HE2 HIS A 151 -12.818 3.863 15.150 1.00 44.31 H new ATOM 2444 N HIS A 152 -14.812 4.989 9.196 1.00 52.14 N ATOM 2445 CA HIS A 152 -15.773 3.897 8.986 1.00 51.33 C ATOM 2446 C HIS A 152 -15.094 2.653 8.382 1.00 4.40 C ATOM 2447 O HIS A 152 -14.964 2.522 7.163 1.00 24.43 O ATOM 2448 CB HIS A 152 -16.929 4.373 8.091 1.00 61.21 C ATOM 2449 CG HIS A 152 -17.806 5.403 8.742 1.00 23.31 C ATOM 2450 ND1 HIS A 152 -19.173 5.278 8.845 1.00 44.15 N ATOM 2451 CD2 HIS A 152 -17.500 6.583 9.333 1.00 42.31 C ATOM 2452 CE1 HIS A 152 -19.667 6.329 9.465 1.00 2.13 C ATOM 2453 NE2 HIS A 152 -18.675 7.137 9.774 1.00 14.43 N ATOM 0 H HIS A 152 -14.984 5.813 8.619 1.00 52.14 H new ATOM 0 HA HIS A 152 -16.174 3.610 9.958 1.00 51.33 H new ATOM 0 HB2 HIS A 152 -16.518 4.787 7.170 1.00 61.21 H new ATOM 0 HB3 HIS A 152 -17.538 3.514 7.810 1.00 61.21 H new ATOM 0 HD2 HIS A 152 -16.513 7.009 9.438 1.00 42.31 H new ATOM 0 HE1 HIS A 152 -20.711 6.500 9.683 1.00 2.13 H new ATOM 0 HE2 HIS A 152 -18.765 8.029 10.261 1.00 14.43 H new ATOM 2462 N HIS A 153 -14.651 1.749 9.255 1.00 21.14 N ATOM 2463 CA HIS A 153 -13.936 0.539 8.832 1.00 31.51 C ATOM 2464 C HIS A 153 -14.881 -0.517 8.226 1.00 55.33 C ATOM 2465 O HIS A 153 -15.233 -1.505 8.871 1.00 20.10 O ATOM 2466 CB HIS A 153 -13.138 -0.051 10.010 1.00 61.20 C ATOM 2467 CG HIS A 153 -13.976 -0.449 11.197 1.00 43.44 C ATOM 2468 ND1 HIS A 153 -14.771 0.284 12.014 1.00 70.13 N flip ATOM 2469 CD2 HIS A 153 -14.045 -1.742 11.672 1.00 64.54 C flip ATOM 2470 CE1 HIS A 153 -15.296 -0.573 12.949 1.00 72.40 C flip ATOM 2471 NE2 HIS A 153 -14.843 -1.787 12.719 1.00 42.32 N flip ATOM 0 H HIS A 153 -14.774 1.830 10.264 1.00 21.14 H new ATOM 0 HA HIS A 153 -13.241 0.830 8.044 1.00 31.51 H new ATOM 0 HB2 HIS A 153 -12.590 -0.925 9.659 1.00 61.20 H new ATOM 0 HB3 HIS A 153 -12.398 0.681 10.333 1.00 61.20 H new ATOM 0 HD2 HIS A 153 -13.524 -2.589 11.250 1.00 64.54 H new ATOM 0 HE1 HIS A 153 -15.972 -0.296 13.745 1.00 72.40 H new ATOM 0 HE2 HIS A 153 -15.071 -2.621 13.260 1.00 42.32 H new ATOM 2480 N HIS A 154 -15.306 -0.290 6.989 1.00 54.43 N ATOM 2481 CA HIS A 154 -16.146 -1.259 6.269 1.00 30.31 C ATOM 2482 C HIS A 154 -15.613 -1.537 4.860 1.00 44.11 C ATOM 2483 O HIS A 154 -15.716 -2.663 4.374 1.00 51.14 O ATOM 2484 CB HIS A 154 -17.593 -0.754 6.171 1.00 42.33 C ATOM 2485 CG HIS A 154 -18.517 -1.722 5.484 1.00 50.40 C ATOM 2486 ND1 HIS A 154 -18.533 -1.919 4.116 1.00 22.31 N ATOM 2487 CD2 HIS A 154 -19.448 -2.565 5.988 1.00 2.25 C ATOM 2488 CE1 HIS A 154 -19.429 -2.837 3.816 1.00 2.43 C ATOM 2489 NE2 HIS A 154 -19.997 -3.245 4.930 1.00 63.50 N ATOM 0 H HIS A 154 -15.087 0.553 6.458 1.00 54.43 H new ATOM 0 HA HIS A 154 -16.119 -2.188 6.838 1.00 30.31 H new ATOM 0 HB2 HIS A 154 -17.969 -0.554 7.174 1.00 42.33 H new ATOM 0 HB3 HIS A 154 -17.604 0.193 5.631 1.00 42.33 H new ATOM 0 HD1 HIS A 154 -17.943 -1.430 3.443 1.00 22.31 H new ATOM 0 HD2 HIS A 154 -19.710 -2.681 7.029 1.00 2.25 H new ATOM 0 HE1 HIS A 154 -19.658 -3.194 2.823 1.00 2.43 H new ATOM 2498 N HIS A 155 -15.055 -0.504 4.216 1.00 1.34 N ATOM 2499 CA HIS A 155 -14.655 -0.565 2.796 1.00 62.23 C ATOM 2500 C HIS A 155 -15.885 -0.538 1.861 1.00 31.34 C ATOM 2501 O HIS A 155 -16.102 0.493 1.189 1.00 38.60 O ATOM 2502 CB HIS A 155 -13.775 -1.797 2.507 1.00 13.10 C ATOM 2503 CG HIS A 155 -13.520 -2.034 1.045 1.00 22.44 C ATOM 2504 ND1 HIS A 155 -12.866 -1.127 0.238 1.00 33.54 N ATOM 2505 CD2 HIS A 155 -13.854 -3.074 0.242 1.00 4.43 C ATOM 2506 CE1 HIS A 155 -12.808 -1.598 -0.992 1.00 52.34 C ATOM 2507 NE2 HIS A 155 -13.397 -2.774 -1.016 1.00 64.32 N ATOM 2508 OXT HIS A 155 -16.635 -1.539 1.822 1.00 38.60 O ATOM 0 H HIS A 155 -14.867 0.396 4.658 1.00 1.34 H new ATOM 0 HA HIS A 155 -14.059 0.325 2.593 1.00 62.23 H new ATOM 0 HB2 HIS A 155 -12.820 -1.677 3.018 1.00 13.10 H new ATOM 0 HB3 HIS A 155 -14.253 -2.680 2.930 1.00 13.10 H new ATOM 0 HD2 HIS A 155 -14.380 -3.970 0.537 1.00 4.43 H new ATOM 0 HE1 HIS A 155 -12.354 -1.102 -1.837 1.00 52.34 H new ATOM 0 HE2 HIS A 155 -13.498 -3.368 -1.839 1.00 64.32 H new TER 2517 HIS A 155