USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 944 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 92 SER OG : rot 180:sc= 0.106 USER MOD Set 1.2: A 96 HIS : no HD1:sc= 1.33 K(o=1.4,f=-5.3!) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.122 K(o=-0.058,f=-1!) USER MOD Set 2.2: A 77 ASN : amide:sc= 0.0639 X(o=-0.058,f=-0.54) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0.0235 USER MOD Set 3.2: A 44 GLN :FLIP amide:sc= -2.32 F(o=-3.5!,f=-2.3) USER MOD Set 4.1: A 40 LYS NZ :NH3+ 151:sc= -0.282 (180deg=0) USER MOD Set 4.2: A 122 ASN :FLIP amide:sc= -3.93! F(o=-5.2,f=-4.2!) USER MOD Set 5.1: A 37 CYS SG : rot 180:sc= 0.04 USER MOD Set 5.2: A 43 THR OG1 : rot 170:sc= -0.132 USER MOD Set 6.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.0571 (180deg=-0.341) USER MOD Single : A 33 ASN : amide:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00523 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= -0.159 (180deg=-0.703) USER MOD Single : A 51 ASN : amide:sc= -1.04 K(o=-1,f=-6.5!) USER MOD Single : A 54 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-4.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -98:sc= -0.17 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.573 USER MOD Single : A 68 SER OG : rot -150:sc= -0.171 USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.121 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.051) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.281 F(o=-0.79,f=-0.28) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 130:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.284 8.416 -27.501 1.00 0.00 N ATOM 2 CA GLY A 1 -10.714 8.428 -27.256 1.00 0.00 C ATOM 3 C GLY A 1 -11.087 7.722 -25.967 1.00 0.00 C ATOM 4 O GLY A 1 -11.447 6.545 -25.978 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.080 8.910 -28.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.794 8.896 -26.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.951 7.433 -27.566 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.064 9.459 -27.216 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.227 7.949 -28.090 1.00 0.00 H new ATOM 8 N SER A 2 -10.999 8.442 -24.853 1.00 0.00 N ATOM 9 CA SER A 2 -11.325 7.876 -23.549 1.00 0.00 C ATOM 10 C SER A 2 -12.798 7.483 -23.480 1.00 0.00 C ATOM 11 O SER A 2 -13.661 8.168 -24.029 1.00 0.00 O ATOM 12 CB SER A 2 -11.000 8.878 -22.439 1.00 0.00 C ATOM 13 OG SER A 2 -9.616 8.874 -22.138 1.00 0.00 O ATOM 0 H SER A 2 -10.705 9.418 -24.827 1.00 0.00 H new ATOM 0 HA SER A 2 -10.721 6.980 -23.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.306 9.878 -22.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.571 8.632 -21.544 1.00 0.00 H new ATOM 0 HG SER A 2 -9.434 9.524 -21.427 1.00 0.00 H new ATOM 19 N SER A 3 -13.077 6.375 -22.802 1.00 0.00 N ATOM 20 CA SER A 3 -14.444 5.887 -22.664 1.00 0.00 C ATOM 21 C SER A 3 -15.296 6.876 -21.875 1.00 0.00 C ATOM 22 O SER A 3 -16.308 7.373 -22.368 1.00 0.00 O ATOM 23 CB SER A 3 -14.454 4.523 -21.972 1.00 0.00 C ATOM 24 OG SER A 3 -15.774 4.128 -21.640 1.00 0.00 O ATOM 0 H SER A 3 -12.375 5.798 -22.339 1.00 0.00 H new ATOM 0 HA SER A 3 -14.869 5.783 -23.662 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.002 3.777 -22.625 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.846 4.566 -21.068 1.00 0.00 H new ATOM 0 HG SER A 3 -15.753 3.252 -21.200 1.00 0.00 H new ATOM 30 N GLY A 4 -14.879 7.158 -20.644 1.00 0.00 N ATOM 31 CA GLY A 4 -15.614 8.086 -19.805 1.00 0.00 C ATOM 32 C GLY A 4 -16.943 7.521 -19.343 1.00 0.00 C ATOM 33 O GLY A 4 -17.173 6.315 -19.420 1.00 0.00 O ATOM 0 H GLY A 4 -14.045 6.760 -20.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.009 8.342 -18.935 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.787 9.010 -20.356 1.00 0.00 H new ATOM 37 N SER A 5 -17.820 8.396 -18.859 1.00 0.00 N ATOM 38 CA SER A 5 -19.131 7.977 -18.377 1.00 0.00 C ATOM 39 C SER A 5 -19.955 7.367 -19.506 1.00 0.00 C ATOM 40 O SER A 5 -20.435 8.074 -20.392 1.00 0.00 O ATOM 41 CB SER A 5 -19.878 9.166 -17.770 1.00 0.00 C ATOM 42 OG SER A 5 -21.147 8.773 -17.278 1.00 0.00 O ATOM 0 H SER A 5 -17.646 9.399 -18.790 1.00 0.00 H new ATOM 0 HA SER A 5 -18.983 7.219 -17.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.288 9.596 -16.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.001 9.945 -18.523 1.00 0.00 H new ATOM 0 HG SER A 5 -21.604 9.550 -16.894 1.00 0.00 H new ATOM 48 N SER A 6 -20.115 6.048 -19.468 1.00 0.00 N ATOM 49 CA SER A 6 -20.878 5.340 -20.489 1.00 0.00 C ATOM 50 C SER A 6 -22.128 4.703 -19.890 1.00 0.00 C ATOM 51 O SER A 6 -22.096 4.169 -18.782 1.00 0.00 O ATOM 52 CB SER A 6 -20.012 4.265 -21.150 1.00 0.00 C ATOM 53 OG SER A 6 -19.058 4.845 -22.023 1.00 0.00 O ATOM 0 H SER A 6 -19.726 5.448 -18.741 1.00 0.00 H new ATOM 0 HA SER A 6 -21.186 6.064 -21.243 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.501 3.683 -20.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.646 3.574 -21.706 1.00 0.00 H new ATOM 0 HG SER A 6 -18.516 4.138 -22.432 1.00 0.00 H new ATOM 59 N GLY A 7 -23.230 4.764 -20.632 1.00 0.00 N ATOM 60 CA GLY A 7 -24.476 4.191 -20.158 1.00 0.00 C ATOM 61 C GLY A 7 -24.795 4.594 -18.732 1.00 0.00 C ATOM 62 O GLY A 7 -25.196 5.730 -18.474 1.00 0.00 O ATOM 0 H GLY A 7 -23.282 5.200 -21.553 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.289 4.506 -20.812 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.420 3.104 -20.221 1.00 0.00 H new ATOM 66 N THR A 8 -24.618 3.662 -17.801 1.00 0.00 N ATOM 67 CA THR A 8 -24.892 3.924 -16.394 1.00 0.00 C ATOM 68 C THR A 8 -23.655 3.679 -15.538 1.00 0.00 C ATOM 69 O THR A 8 -22.761 2.927 -15.925 1.00 0.00 O ATOM 70 CB THR A 8 -26.046 3.047 -15.873 1.00 0.00 C ATOM 71 OG1 THR A 8 -25.765 1.666 -16.130 1.00 0.00 O ATOM 72 CG2 THR A 8 -27.360 3.434 -16.533 1.00 0.00 C ATOM 0 H THR A 8 -24.286 2.718 -17.997 1.00 0.00 H new ATOM 0 HA THR A 8 -25.181 4.972 -16.318 1.00 0.00 H new ATOM 0 HB THR A 8 -26.138 3.205 -14.798 1.00 0.00 H new ATOM 0 HG1 THR A 8 -26.502 1.114 -15.795 1.00 0.00 H new ATOM 0 HG21 THR A 8 -28.160 2.801 -16.149 1.00 0.00 H new ATOM 0 HG22 THR A 8 -27.585 4.477 -16.312 1.00 0.00 H new ATOM 0 HG23 THR A 8 -27.278 3.301 -17.612 1.00 0.00 H new ATOM 80 N GLU A 9 -23.611 4.317 -14.372 1.00 0.00 N ATOM 81 CA GLU A 9 -22.483 4.166 -13.462 1.00 0.00 C ATOM 82 C GLU A 9 -22.610 2.884 -12.644 1.00 0.00 C ATOM 83 O GLU A 9 -21.893 2.687 -11.664 1.00 0.00 O ATOM 84 CB GLU A 9 -22.389 5.373 -12.526 1.00 0.00 C ATOM 85 CG GLU A 9 -20.980 5.651 -12.030 1.00 0.00 C ATOM 86 CD GLU A 9 -20.175 6.492 -13.002 1.00 0.00 C ATOM 87 OE1 GLU A 9 -20.676 7.556 -13.421 1.00 0.00 O ATOM 88 OE2 GLU A 9 -19.045 6.085 -13.343 1.00 0.00 O ATOM 0 H GLU A 9 -24.343 4.943 -14.036 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.574 4.106 -14.060 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.763 6.255 -13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.041 5.208 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -21.031 6.163 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.465 4.705 -11.861 1.00 0.00 H new ATOM 95 N ARG A 10 -23.529 2.016 -13.056 1.00 0.00 N ATOM 96 CA ARG A 10 -23.752 0.754 -12.361 1.00 0.00 C ATOM 97 C ARG A 10 -22.994 -0.383 -13.042 1.00 0.00 C ATOM 98 O ARG A 10 -23.399 -0.865 -14.099 1.00 0.00 O ATOM 99 CB ARG A 10 -25.247 0.429 -12.317 1.00 0.00 C ATOM 100 CG ARG A 10 -25.971 1.054 -11.135 1.00 0.00 C ATOM 101 CD ARG A 10 -25.586 0.382 -9.827 1.00 0.00 C ATOM 102 NE ARG A 10 -26.177 -0.948 -9.701 1.00 0.00 N ATOM 103 CZ ARG A 10 -27.438 -1.161 -9.343 1.00 0.00 C ATOM 104 NH1 ARG A 10 -28.237 -0.137 -9.077 1.00 0.00 N ATOM 105 NH2 ARG A 10 -27.903 -2.401 -9.251 1.00 0.00 N ATOM 0 H ARG A 10 -24.130 2.164 -13.867 1.00 0.00 H new ATOM 0 HA ARG A 10 -23.379 0.858 -11.342 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -25.712 0.773 -13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -25.374 -0.653 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -25.734 2.117 -11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -27.048 0.974 -11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -24.501 0.304 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -25.909 1.003 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 10 -25.589 -1.758 -9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -27.884 0.817 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -29.205 -0.303 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -27.292 -3.191 -9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -28.872 -2.563 -8.976 1.00 0.00 H new ATOM 119 N GLU A 11 -21.893 -0.804 -12.427 1.00 0.00 N ATOM 120 CA GLU A 11 -21.079 -1.882 -12.975 1.00 0.00 C ATOM 121 C GLU A 11 -21.887 -3.172 -13.086 1.00 0.00 C ATOM 122 O GLU A 11 -22.914 -3.333 -12.427 1.00 0.00 O ATOM 123 CB GLU A 11 -19.845 -2.114 -12.100 1.00 0.00 C ATOM 124 CG GLU A 11 -18.686 -1.187 -12.425 1.00 0.00 C ATOM 125 CD GLU A 11 -18.367 -1.148 -13.907 1.00 0.00 C ATOM 126 OE1 GLU A 11 -19.023 -0.374 -14.634 1.00 0.00 O ATOM 127 OE2 GLU A 11 -17.462 -1.892 -14.339 1.00 0.00 O ATOM 0 H GLU A 11 -21.545 -0.415 -11.550 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.758 -1.588 -13.974 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -20.122 -1.983 -11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.517 -3.147 -12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.924 -0.180 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.802 -1.510 -11.875 1.00 0.00 H new ATOM 134 N LYS A 12 -21.416 -4.087 -13.926 1.00 0.00 N ATOM 135 CA LYS A 12 -22.092 -5.364 -14.125 1.00 0.00 C ATOM 136 C LYS A 12 -21.213 -6.522 -13.665 1.00 0.00 C ATOM 137 O LYS A 12 -20.223 -6.859 -14.313 1.00 0.00 O ATOM 138 CB LYS A 12 -22.462 -5.544 -15.599 1.00 0.00 C ATOM 139 CG LYS A 12 -23.825 -4.978 -15.958 1.00 0.00 C ATOM 140 CD LYS A 12 -23.955 -4.742 -17.453 1.00 0.00 C ATOM 141 CE LYS A 12 -23.437 -3.367 -17.847 1.00 0.00 C ATOM 142 NZ LYS A 12 -23.467 -3.164 -19.322 1.00 0.00 N ATOM 0 H LYS A 12 -20.568 -3.968 -14.480 1.00 0.00 H new ATOM 0 HA LYS A 12 -23.003 -5.362 -13.526 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -21.704 -5.062 -16.217 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.444 -6.606 -15.842 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -24.604 -5.666 -15.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.982 -4.040 -15.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.401 -5.509 -17.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -25.000 -4.837 -17.748 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.040 -2.599 -17.363 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.416 -3.246 -17.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.106 -2.215 -19.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.871 -3.881 -19.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.445 -3.254 -19.665 1.00 0.00 H new ATOM 156 N PHE A 13 -21.583 -7.130 -12.542 1.00 0.00 N ATOM 157 CA PHE A 13 -20.829 -8.252 -11.996 1.00 0.00 C ATOM 158 C PHE A 13 -21.764 -9.381 -11.571 1.00 0.00 C ATOM 159 O PHE A 13 -22.788 -9.145 -10.930 1.00 0.00 O ATOM 160 CB PHE A 13 -19.987 -7.795 -10.802 1.00 0.00 C ATOM 161 CG PHE A 13 -18.658 -7.215 -11.193 1.00 0.00 C ATOM 162 CD1 PHE A 13 -18.554 -5.891 -11.588 1.00 0.00 C ATOM 163 CD2 PHE A 13 -17.513 -7.994 -11.165 1.00 0.00 C ATOM 164 CE1 PHE A 13 -17.333 -5.354 -11.948 1.00 0.00 C ATOM 165 CE2 PHE A 13 -16.288 -7.462 -11.523 1.00 0.00 C ATOM 166 CZ PHE A 13 -16.198 -6.141 -11.916 1.00 0.00 C ATOM 0 H PHE A 13 -22.400 -6.864 -11.993 1.00 0.00 H new ATOM 0 HA PHE A 13 -20.167 -8.627 -12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -20.547 -7.050 -10.236 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.823 -8.643 -10.137 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -19.438 -5.271 -11.615 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -17.578 -9.028 -10.860 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -17.266 -4.320 -12.254 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -15.402 -8.079 -11.495 1.00 0.00 H new ATOM 0 HZ PHE A 13 -15.242 -5.724 -12.198 1.00 0.00 H new ATOM 176 N ILE A 14 -21.404 -10.607 -11.935 1.00 0.00 N ATOM 177 CA ILE A 14 -22.209 -11.773 -11.591 1.00 0.00 C ATOM 178 C ILE A 14 -21.646 -12.489 -10.369 1.00 0.00 C ATOM 179 O ILE A 14 -20.439 -12.709 -10.266 1.00 0.00 O ATOM 180 CB ILE A 14 -22.289 -12.767 -12.764 1.00 0.00 C ATOM 181 CG1 ILE A 14 -23.259 -12.255 -13.831 1.00 0.00 C ATOM 182 CG2 ILE A 14 -22.716 -14.140 -12.267 1.00 0.00 C ATOM 183 CD1 ILE A 14 -22.889 -12.675 -15.236 1.00 0.00 C ATOM 0 H ILE A 14 -20.560 -10.819 -12.468 1.00 0.00 H new ATOM 0 HA ILE A 14 -23.211 -11.409 -11.365 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.300 -12.856 -13.213 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.261 -12.619 -13.604 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.297 -11.167 -13.784 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.768 -14.831 -13.108 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -21.990 -14.506 -11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -23.696 -14.068 -11.796 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.620 -12.277 -15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.900 -12.289 -15.483 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.880 -13.763 -15.300 1.00 0.00 H new ATOM 195 N VAL A 15 -22.529 -12.854 -9.445 1.00 0.00 N ATOM 196 CA VAL A 15 -22.121 -13.550 -8.230 1.00 0.00 C ATOM 197 C VAL A 15 -22.724 -14.949 -8.169 1.00 0.00 C ATOM 198 O VAL A 15 -23.802 -15.211 -8.702 1.00 0.00 O ATOM 199 CB VAL A 15 -22.536 -12.768 -6.969 1.00 0.00 C ATOM 200 CG1 VAL A 15 -21.822 -11.426 -6.914 1.00 0.00 C ATOM 201 CG2 VAL A 15 -24.045 -12.581 -6.932 1.00 0.00 C ATOM 0 H VAL A 15 -23.532 -12.679 -9.514 1.00 0.00 H new ATOM 0 HA VAL A 15 -21.034 -13.627 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 15 -22.243 -13.344 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -22.128 -10.888 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.744 -11.588 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -22.082 -10.839 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -24.321 -12.027 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -24.365 -12.026 -7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -24.532 -13.556 -6.920 1.00 0.00 H new ATOM 211 N PRO A 16 -22.013 -15.870 -7.502 1.00 0.00 N ATOM 212 CA PRO A 16 -22.459 -17.259 -7.353 1.00 0.00 C ATOM 213 C PRO A 16 -23.669 -17.384 -6.433 1.00 0.00 C ATOM 214 O PRO A 16 -23.599 -17.045 -5.252 1.00 0.00 O ATOM 215 CB PRO A 16 -21.245 -17.958 -6.737 1.00 0.00 C ATOM 216 CG PRO A 16 -20.503 -16.876 -6.030 1.00 0.00 C ATOM 217 CD PRO A 16 -20.720 -15.628 -6.841 1.00 0.00 C ATOM 0 HA PRO A 16 -22.778 -17.688 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -21.549 -18.745 -6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.627 -18.427 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.873 -16.750 -5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.442 -17.114 -5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -20.751 -14.740 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.920 -15.476 -7.566 1.00 0.00 H new ATOM 225 N ILE A 17 -24.776 -17.872 -6.983 1.00 0.00 N ATOM 226 CA ILE A 17 -26.000 -18.043 -6.210 1.00 0.00 C ATOM 227 C ILE A 17 -25.811 -19.072 -5.101 1.00 0.00 C ATOM 228 O ILE A 17 -25.408 -20.208 -5.354 1.00 0.00 O ATOM 229 CB ILE A 17 -27.174 -18.480 -7.106 1.00 0.00 C ATOM 230 CG1 ILE A 17 -27.292 -17.554 -8.318 1.00 0.00 C ATOM 231 CG2 ILE A 17 -28.472 -18.489 -6.311 1.00 0.00 C ATOM 232 CD1 ILE A 17 -26.435 -17.981 -9.489 1.00 0.00 C ATOM 0 H ILE A 17 -24.850 -18.156 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 17 -26.232 -17.074 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 17 -26.982 -19.492 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -28.334 -17.515 -8.636 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -27.011 -16.543 -8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -29.293 -18.800 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -28.383 -19.185 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -28.671 -17.488 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -26.568 -17.279 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -25.387 -17.992 -9.188 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -26.731 -18.979 -9.811 1.00 0.00 H new ATOM 244 N LYS A 18 -26.106 -18.668 -3.870 1.00 0.00 N ATOM 245 CA LYS A 18 -25.972 -19.554 -2.720 1.00 0.00 C ATOM 246 C LYS A 18 -24.516 -19.960 -2.512 1.00 0.00 C ATOM 247 O LYS A 18 -24.211 -21.138 -2.330 1.00 0.00 O ATOM 248 CB LYS A 18 -26.838 -20.802 -2.909 1.00 0.00 C ATOM 249 CG LYS A 18 -28.252 -20.646 -2.377 1.00 0.00 C ATOM 250 CD LYS A 18 -29.078 -21.900 -2.612 1.00 0.00 C ATOM 251 CE LYS A 18 -29.762 -21.870 -3.970 1.00 0.00 C ATOM 252 NZ LYS A 18 -30.817 -22.916 -4.083 1.00 0.00 N ATOM 0 H LYS A 18 -26.440 -17.731 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 18 -26.310 -19.014 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -26.883 -21.046 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -26.361 -21.644 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -28.218 -20.426 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -28.733 -19.796 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -28.435 -22.778 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -29.829 -21.995 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -30.206 -20.888 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -29.019 -22.017 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -31.259 -22.863 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -30.390 -23.855 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -31.539 -22.761 -3.351 1.00 0.00 H new ATOM 266 N ALA A 19 -23.623 -18.976 -2.540 1.00 0.00 N ATOM 267 CA ALA A 19 -22.200 -19.231 -2.351 1.00 0.00 C ATOM 268 C ALA A 19 -21.762 -18.875 -0.935 1.00 0.00 C ATOM 269 O ALA A 19 -21.650 -17.699 -0.587 1.00 0.00 O ATOM 270 CB ALA A 19 -21.385 -18.450 -3.371 1.00 0.00 C ATOM 0 H ALA A 19 -23.860 -17.995 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 19 -22.023 -20.296 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.324 -18.649 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -21.671 -18.757 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -21.575 -17.384 -3.249 1.00 0.00 H new ATOM 276 N ARG A 20 -21.516 -19.897 -0.122 1.00 0.00 N ATOM 277 CA ARG A 20 -21.092 -19.690 1.258 1.00 0.00 C ATOM 278 C ARG A 20 -20.350 -20.914 1.787 1.00 0.00 C ATOM 279 O ARG A 20 -20.558 -22.031 1.316 1.00 0.00 O ATOM 280 CB ARG A 20 -22.301 -19.390 2.146 1.00 0.00 C ATOM 281 CG ARG A 20 -23.209 -20.590 2.366 1.00 0.00 C ATOM 282 CD ARG A 20 -23.887 -20.534 3.726 1.00 0.00 C ATOM 283 NE ARG A 20 -24.474 -21.819 4.098 1.00 0.00 N ATOM 284 CZ ARG A 20 -24.691 -22.191 5.354 1.00 0.00 C ATOM 285 NH1 ARG A 20 -24.372 -21.380 6.354 1.00 0.00 N ATOM 286 NH2 ARG A 20 -25.229 -23.376 5.613 1.00 0.00 N ATOM 0 H ARG A 20 -21.603 -20.876 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.414 -18.837 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.950 -19.029 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.881 -18.584 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -23.966 -20.624 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.626 -21.508 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.160 -20.235 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -24.665 -19.770 3.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -24.731 -22.466 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.959 -20.468 6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.540 -21.668 7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -25.476 -24.002 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.395 -23.661 6.578 1.00 0.00 H new ATOM 300 N GLY A 21 -19.482 -20.694 2.770 1.00 0.00 N ATOM 301 CA GLY A 21 -18.722 -21.787 3.347 1.00 0.00 C ATOM 302 C GLY A 21 -17.375 -21.340 3.879 1.00 0.00 C ATOM 303 O GLY A 21 -17.293 -20.727 4.943 1.00 0.00 O ATOM 0 H GLY A 21 -19.292 -19.778 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -19.297 -22.238 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.573 -22.560 2.593 1.00 0.00 H new ATOM 307 N ALA A 22 -16.316 -21.648 3.138 1.00 0.00 N ATOM 308 CA ALA A 22 -14.966 -21.273 3.541 1.00 0.00 C ATOM 309 C ALA A 22 -14.546 -19.957 2.896 1.00 0.00 C ATOM 310 O ALA A 22 -14.823 -19.715 1.721 1.00 0.00 O ATOM 311 CB ALA A 22 -13.982 -22.377 3.183 1.00 0.00 C ATOM 0 H ALA A 22 -16.367 -22.156 2.255 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.962 -21.135 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.978 -22.083 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.264 -23.296 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.998 -22.544 2.106 1.00 0.00 H new ATOM 317 N ARG A 23 -13.877 -19.110 3.671 1.00 0.00 N ATOM 318 CA ARG A 23 -13.421 -17.817 3.174 1.00 0.00 C ATOM 319 C ARG A 23 -12.048 -17.470 3.743 1.00 0.00 C ATOM 320 O ARG A 23 -11.827 -17.552 4.951 1.00 0.00 O ATOM 321 CB ARG A 23 -14.427 -16.723 3.537 1.00 0.00 C ATOM 322 CG ARG A 23 -14.716 -16.631 5.027 1.00 0.00 C ATOM 323 CD ARG A 23 -15.759 -17.651 5.456 1.00 0.00 C ATOM 324 NE ARG A 23 -17.004 -17.510 4.705 1.00 0.00 N ATOM 325 CZ ARG A 23 -17.946 -16.623 5.005 1.00 0.00 C ATOM 326 NH1 ARG A 23 -17.785 -15.802 6.035 1.00 0.00 N ATOM 327 NH2 ARG A 23 -19.051 -16.554 4.275 1.00 0.00 N ATOM 0 H ARG A 23 -13.639 -19.295 4.645 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.340 -17.881 2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.047 -15.762 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.360 -16.908 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.795 -16.792 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.065 -15.627 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.362 -18.656 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.963 -17.535 6.521 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.158 -18.126 3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.936 -15.851 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.510 -15.122 6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.178 -17.183 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.774 -15.872 4.507 1.00 0.00 H new ATOM 341 N ALA A 24 -11.130 -17.083 2.864 1.00 0.00 N ATOM 342 CA ALA A 24 -9.780 -16.722 3.279 1.00 0.00 C ATOM 343 C ALA A 24 -9.654 -15.218 3.492 1.00 0.00 C ATOM 344 O ALA A 24 -10.095 -14.425 2.659 1.00 0.00 O ATOM 345 CB ALA A 24 -8.766 -17.198 2.248 1.00 0.00 C ATOM 0 H ALA A 24 -11.296 -17.011 1.860 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.575 -17.215 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.762 -16.922 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.830 -18.282 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.979 -16.732 1.286 1.00 0.00 H new ATOM 351 N ILE A 25 -9.052 -14.831 4.611 1.00 0.00 N ATOM 352 CA ILE A 25 -8.869 -13.421 4.932 1.00 0.00 C ATOM 353 C ILE A 25 -7.428 -13.133 5.341 1.00 0.00 C ATOM 354 O ILE A 25 -6.743 -13.996 5.892 1.00 0.00 O ATOM 355 CB ILE A 25 -9.811 -12.975 6.066 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.267 -13.257 5.689 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.614 -11.497 6.368 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.187 -13.385 6.883 1.00 0.00 C ATOM 0 H ILE A 25 -8.682 -15.474 5.311 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.108 -12.858 4.030 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.570 -13.545 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.629 -12.455 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.311 -14.177 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.287 -11.197 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.583 -11.323 6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.831 -10.911 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.202 -13.584 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.850 -14.206 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.173 -12.457 7.454 1.00 0.00 H new ATOM 370 N LEU A 26 -6.975 -11.914 5.070 1.00 0.00 N ATOM 371 CA LEU A 26 -5.615 -11.510 5.411 1.00 0.00 C ATOM 372 C LEU A 26 -5.623 -10.286 6.321 1.00 0.00 C ATOM 373 O LEU A 26 -6.682 -9.745 6.641 1.00 0.00 O ATOM 374 CB LEU A 26 -4.817 -11.211 4.141 1.00 0.00 C ATOM 375 CG LEU A 26 -4.222 -12.421 3.421 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.128 -13.058 4.264 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.308 -13.437 3.097 1.00 0.00 C ATOM 0 H LEU A 26 -7.529 -11.188 4.615 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.141 -12.333 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.467 -10.682 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.005 -10.531 4.398 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.780 -12.081 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.716 -13.918 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.337 -12.330 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.546 -13.384 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.866 -14.291 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.780 -13.772 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.057 -12.976 2.453 1.00 0.00 H new ATOM 389 N ASP A 27 -4.437 -9.853 6.731 1.00 0.00 N ATOM 390 CA ASP A 27 -4.306 -8.690 7.602 1.00 0.00 C ATOM 391 C ASP A 27 -3.562 -7.562 6.894 1.00 0.00 C ATOM 392 O ASP A 27 -2.342 -7.615 6.732 1.00 0.00 O ATOM 393 CB ASP A 27 -3.576 -9.070 8.891 1.00 0.00 C ATOM 394 CG ASP A 27 -2.903 -7.881 9.547 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.402 -6.748 9.378 1.00 0.00 O ATOM 396 OD2 ASP A 27 -1.879 -8.082 10.232 1.00 0.00 O ATOM 0 H ASP A 27 -3.551 -10.289 6.475 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.307 -8.340 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.285 -9.513 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.828 -9.831 8.670 1.00 0.00 H new ATOM 401 N PHE A 28 -4.303 -6.543 6.473 1.00 0.00 N ATOM 402 CA PHE A 28 -3.714 -5.403 5.781 1.00 0.00 C ATOM 403 C PHE A 28 -4.139 -4.091 6.433 1.00 0.00 C ATOM 404 O PHE A 28 -5.286 -3.916 6.845 1.00 0.00 O ATOM 405 CB PHE A 28 -4.122 -5.409 4.306 1.00 0.00 C ATOM 406 CG PHE A 28 -3.338 -6.379 3.470 1.00 0.00 C ATOM 407 CD1 PHE A 28 -2.106 -6.025 2.946 1.00 0.00 C ATOM 408 CD2 PHE A 28 -3.834 -7.647 3.209 1.00 0.00 C ATOM 409 CE1 PHE A 28 -1.381 -6.916 2.177 1.00 0.00 C ATOM 410 CE2 PHE A 28 -3.114 -8.542 2.441 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.886 -8.176 1.923 1.00 0.00 C ATOM 0 H PHE A 28 -5.313 -6.483 6.599 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.630 -5.488 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.182 -5.652 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.996 -4.406 3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.707 -5.041 3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.793 -7.938 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.421 -6.627 1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.511 -9.527 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.323 -8.874 1.321 1.00 0.00 H new ATOM 421 N PRO A 29 -3.193 -3.145 6.530 1.00 0.00 N ATOM 422 CA PRO A 29 -3.445 -1.832 7.132 1.00 0.00 C ATOM 423 C PRO A 29 -4.360 -0.967 6.272 1.00 0.00 C ATOM 424 O PRO A 29 -4.434 -1.144 5.056 1.00 0.00 O ATOM 425 CB PRO A 29 -2.049 -1.210 7.222 1.00 0.00 C ATOM 426 CG PRO A 29 -1.264 -1.885 6.151 1.00 0.00 C ATOM 427 CD PRO A 29 -1.804 -3.285 6.060 1.00 0.00 C ATOM 0 HA PRO A 29 -3.953 -1.914 8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.085 -0.132 7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.604 -1.376 8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.372 -1.363 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.201 -1.892 6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.761 -3.667 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.236 -3.976 6.683 1.00 0.00 H new ATOM 435 N ASP A 30 -5.054 -0.032 6.911 1.00 0.00 N ATOM 436 CA ASP A 30 -5.963 0.863 6.203 1.00 0.00 C ATOM 437 C ASP A 30 -5.271 1.505 5.005 1.00 0.00 C ATOM 438 O ASP A 30 -5.847 1.606 3.922 1.00 0.00 O ATOM 439 CB ASP A 30 -6.483 1.947 7.148 1.00 0.00 C ATOM 440 CG ASP A 30 -7.519 1.418 8.121 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.552 0.889 7.660 1.00 0.00 O ATOM 442 OD2 ASP A 30 -7.296 1.533 9.345 1.00 0.00 O ATOM 0 H ASP A 30 -5.005 0.126 7.917 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.805 0.273 5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.648 2.370 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.918 2.757 6.563 1.00 0.00 H new ATOM 447 N LYS A 31 -4.031 1.938 5.207 1.00 0.00 N ATOM 448 CA LYS A 31 -3.259 2.571 4.144 1.00 0.00 C ATOM 449 C LYS A 31 -1.765 2.504 4.443 1.00 0.00 C ATOM 450 O LYS A 31 -1.358 2.127 5.543 1.00 0.00 O ATOM 451 CB LYS A 31 -3.690 4.029 3.970 1.00 0.00 C ATOM 452 CG LYS A 31 -3.493 4.874 5.217 1.00 0.00 C ATOM 453 CD LYS A 31 -3.443 6.356 4.884 1.00 0.00 C ATOM 454 CE LYS A 31 -4.839 6.943 4.746 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.550 6.996 6.053 1.00 0.00 N ATOM 0 H LYS A 31 -3.539 1.862 6.097 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.451 2.029 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.125 4.471 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.742 4.057 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.306 4.685 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.569 4.580 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.899 6.887 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.892 6.503 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.771 7.948 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.417 6.344 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.327 7.685 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.936 6.056 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.885 7.283 6.799 1.00 0.00 H new ATOM 469 N LEU A 32 -0.952 2.872 3.459 1.00 0.00 N ATOM 470 CA LEU A 32 0.498 2.856 3.617 1.00 0.00 C ATOM 471 C LEU A 32 1.033 4.259 3.887 1.00 0.00 C ATOM 472 O LEU A 32 0.749 5.196 3.142 1.00 0.00 O ATOM 473 CB LEU A 32 1.161 2.277 2.366 1.00 0.00 C ATOM 474 CG LEU A 32 2.605 1.801 2.531 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.500 2.950 2.968 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.678 0.656 3.531 1.00 0.00 C ATOM 0 H LEU A 32 -1.272 3.185 2.543 1.00 0.00 H new ATOM 0 HA LEU A 32 0.738 2.225 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.560 1.437 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.136 3.034 1.583 1.00 0.00 H new ATOM 0 HG LEU A 32 2.960 1.438 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.523 2.592 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.472 3.739 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.147 3.344 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.713 0.330 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.304 0.993 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.070 -0.176 3.176 1.00 0.00 H new ATOM 488 N ASN A 33 1.810 4.395 4.957 1.00 0.00 N ATOM 489 CA ASN A 33 2.386 5.683 5.324 1.00 0.00 C ATOM 490 C ASN A 33 3.881 5.717 5.019 1.00 0.00 C ATOM 491 O ASN A 33 4.664 4.977 5.614 1.00 0.00 O ATOM 492 CB ASN A 33 2.151 5.966 6.809 1.00 0.00 C ATOM 493 CG ASN A 33 2.336 4.731 7.669 1.00 0.00 C ATOM 494 OD1 ASN A 33 1.470 3.856 7.713 1.00 0.00 O ATOM 495 ND2 ASN A 33 3.468 4.654 8.358 1.00 0.00 N ATOM 0 H ASN A 33 2.055 3.629 5.585 1.00 0.00 H new ATOM 0 HA ASN A 33 1.894 6.455 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.839 6.743 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.142 6.354 6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.648 3.846 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.158 5.403 8.291 1.00 0.00 H new ATOM 502 N PHE A 34 4.269 6.583 4.088 1.00 0.00 N ATOM 503 CA PHE A 34 5.670 6.714 3.703 1.00 0.00 C ATOM 504 C PHE A 34 6.237 8.054 4.164 1.00 0.00 C ATOM 505 O PHE A 34 5.911 9.102 3.608 1.00 0.00 O ATOM 506 CB PHE A 34 5.819 6.579 2.186 1.00 0.00 C ATOM 507 CG PHE A 34 6.230 5.204 1.745 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.492 4.714 2.043 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.355 4.400 1.032 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.873 3.449 1.637 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.731 3.134 0.623 1.00 0.00 C ATOM 512 CZ PHE A 34 6.991 2.658 0.928 1.00 0.00 C ATOM 0 H PHE A 34 3.634 7.204 3.587 1.00 0.00 H new ATOM 0 HA PHE A 34 6.231 5.915 4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.872 6.836 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.557 7.300 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.185 5.328 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.368 4.767 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.860 3.080 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.040 2.518 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.286 1.668 0.612 1.00 0.00 H new ATOM 522 N SER A 35 7.088 8.010 5.184 1.00 0.00 N ATOM 523 CA SER A 35 7.698 9.220 5.724 1.00 0.00 C ATOM 524 C SER A 35 8.348 10.041 4.615 1.00 0.00 C ATOM 525 O SER A 35 8.378 9.628 3.455 1.00 0.00 O ATOM 526 CB SER A 35 8.739 8.861 6.786 1.00 0.00 C ATOM 527 OG SER A 35 8.169 8.064 7.810 1.00 0.00 O ATOM 0 H SER A 35 7.371 7.150 5.653 1.00 0.00 H new ATOM 0 HA SER A 35 6.913 9.820 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.567 8.325 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.152 9.773 7.218 1.00 0.00 H new ATOM 0 HG SER A 35 8.855 7.847 8.475 1.00 0.00 H new ATOM 533 N THR A 36 8.869 11.209 4.979 1.00 0.00 N ATOM 534 CA THR A 36 9.517 12.090 4.017 1.00 0.00 C ATOM 535 C THR A 36 10.582 11.345 3.219 1.00 0.00 C ATOM 536 O THR A 36 11.648 11.019 3.742 1.00 0.00 O ATOM 537 CB THR A 36 10.168 13.300 4.713 1.00 0.00 C ATOM 538 OG1 THR A 36 9.270 13.847 5.685 1.00 0.00 O ATOM 539 CG2 THR A 36 10.539 14.372 3.699 1.00 0.00 C ATOM 0 H THR A 36 8.854 11.566 5.934 1.00 0.00 H new ATOM 0 HA THR A 36 8.740 12.444 3.340 1.00 0.00 H new ATOM 0 HB THR A 36 11.077 12.960 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.692 14.615 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.997 15.217 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.245 13.961 2.977 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.642 14.707 3.179 1.00 0.00 H new ATOM 547 N CYS A 37 10.286 11.078 1.952 1.00 0.00 N ATOM 548 CA CYS A 37 11.218 10.371 1.082 1.00 0.00 C ATOM 549 C CYS A 37 11.650 11.253 -0.085 1.00 0.00 C ATOM 550 O CYS A 37 10.967 12.207 -0.460 1.00 0.00 O ATOM 551 CB CYS A 37 10.581 9.084 0.555 1.00 0.00 C ATOM 552 SG CYS A 37 8.910 9.303 -0.100 1.00 0.00 S ATOM 0 H CYS A 37 9.408 11.341 1.505 1.00 0.00 H new ATOM 0 HA CYS A 37 12.101 10.117 1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.216 8.671 -0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.551 8.350 1.360 1.00 0.00 H new ATOM 0 HG CYS A 37 8.457 8.160 -0.523 1.00 0.00 H new ATOM 558 N PRO A 38 12.811 10.931 -0.673 1.00 0.00 N ATOM 559 CA PRO A 38 13.361 11.683 -1.805 1.00 0.00 C ATOM 560 C PRO A 38 12.548 11.487 -3.080 1.00 0.00 C ATOM 561 O PRO A 38 12.037 10.398 -3.341 1.00 0.00 O ATOM 562 CB PRO A 38 14.766 11.099 -1.971 1.00 0.00 C ATOM 563 CG PRO A 38 14.674 9.725 -1.401 1.00 0.00 C ATOM 564 CD PRO A 38 13.678 9.808 -0.278 1.00 0.00 C ATOM 0 HA PRO A 38 13.351 12.758 -1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.063 11.074 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.509 11.698 -1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.351 9.010 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.645 9.388 -1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.113 8.882 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.166 9.994 0.679 1.00 0.00 H new ATOM 572 N VAL A 39 12.434 12.548 -3.873 1.00 0.00 N ATOM 573 CA VAL A 39 11.685 12.492 -5.122 1.00 0.00 C ATOM 574 C VAL A 39 12.403 11.630 -6.155 1.00 0.00 C ATOM 575 O VAL A 39 11.811 10.726 -6.745 1.00 0.00 O ATOM 576 CB VAL A 39 11.464 13.899 -5.708 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.763 14.691 -5.701 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.894 13.807 -7.115 1.00 0.00 C ATOM 0 H VAL A 39 12.851 13.457 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 39 10.717 12.047 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 39 10.743 14.425 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.587 15.682 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.125 14.788 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.509 14.171 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.744 14.811 -7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.589 13.263 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.939 13.282 -7.087 1.00 0.00 H new ATOM 588 N LYS A 40 13.682 11.917 -6.370 1.00 0.00 N ATOM 589 CA LYS A 40 14.484 11.168 -7.330 1.00 0.00 C ATOM 590 C LYS A 40 14.758 9.755 -6.825 1.00 0.00 C ATOM 591 O LYS A 40 14.338 8.774 -7.439 1.00 0.00 O ATOM 592 CB LYS A 40 15.805 11.892 -7.597 1.00 0.00 C ATOM 593 CG LYS A 40 15.774 12.781 -8.828 1.00 0.00 C ATOM 594 CD LYS A 40 15.011 14.068 -8.567 1.00 0.00 C ATOM 595 CE LYS A 40 15.748 14.963 -7.583 1.00 0.00 C ATOM 596 NZ LYS A 40 15.316 16.384 -7.694 1.00 0.00 N ATOM 0 H LYS A 40 14.186 12.664 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 40 13.921 11.099 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.059 12.498 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.598 11.153 -7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.793 13.017 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.310 12.243 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.864 14.602 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.021 13.833 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.572 14.608 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.821 14.895 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.424 16.853 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.903 16.871 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.319 16.422 -7.986 1.00 0.00 H new ATOM 610 N TYR A 41 15.464 9.659 -5.704 1.00 0.00 N ATOM 611 CA TYR A 41 15.796 8.366 -5.118 1.00 0.00 C ATOM 612 C TYR A 41 14.542 7.519 -4.923 1.00 0.00 C ATOM 613 O TYR A 41 13.443 8.047 -4.752 1.00 0.00 O ATOM 614 CB TYR A 41 16.509 8.558 -3.778 1.00 0.00 C ATOM 615 CG TYR A 41 17.994 8.806 -3.913 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.863 7.775 -4.250 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.529 10.071 -3.701 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.220 7.997 -4.373 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.885 10.302 -3.824 1.00 0.00 C ATOM 620 CZ TYR A 41 20.727 9.262 -4.160 1.00 0.00 C ATOM 621 OH TYR A 41 22.079 9.488 -4.282 1.00 0.00 O ATOM 0 H TYR A 41 15.817 10.461 -5.183 1.00 0.00 H new ATOM 0 HA TYR A 41 16.462 7.844 -5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.055 9.398 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.351 7.673 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.470 6.783 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.873 10.887 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.881 7.184 -4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.284 11.292 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 41 22.271 10.432 -4.101 1.00 0.00 H new ATOM 631 N SER A 42 14.716 6.202 -4.950 1.00 0.00 N ATOM 632 CA SER A 42 13.599 5.280 -4.779 1.00 0.00 C ATOM 633 C SER A 42 13.369 4.972 -3.303 1.00 0.00 C ATOM 634 O SER A 42 14.283 5.077 -2.484 1.00 0.00 O ATOM 635 CB SER A 42 13.859 3.983 -5.548 1.00 0.00 C ATOM 636 OG SER A 42 15.179 3.517 -5.329 1.00 0.00 O ATOM 0 H SER A 42 15.619 5.749 -5.089 1.00 0.00 H new ATOM 0 HA SER A 42 12.703 5.757 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.144 3.222 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.701 4.150 -6.613 1.00 0.00 H new ATOM 0 HG SER A 42 15.320 2.686 -5.830 1.00 0.00 H new ATOM 642 N THR A 43 12.140 4.591 -2.968 1.00 0.00 N ATOM 643 CA THR A 43 11.787 4.269 -1.591 1.00 0.00 C ATOM 644 C THR A 43 11.509 2.779 -1.429 1.00 0.00 C ATOM 645 O THR A 43 11.005 2.130 -2.345 1.00 0.00 O ATOM 646 CB THR A 43 10.552 5.064 -1.127 1.00 0.00 C ATOM 647 OG1 THR A 43 10.816 6.469 -1.208 1.00 0.00 O ATOM 648 CG2 THR A 43 10.176 4.695 0.300 1.00 0.00 C ATOM 0 H THR A 43 11.372 4.498 -3.633 1.00 0.00 H new ATOM 0 HA THR A 43 12.641 4.546 -0.973 1.00 0.00 H new ATOM 0 HB THR A 43 9.718 4.813 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.984 6.967 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.301 5.269 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.948 3.630 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.009 4.921 0.966 1.00 0.00 H new ATOM 656 N GLN A 44 11.840 2.244 -0.258 1.00 0.00 N ATOM 657 CA GLN A 44 11.625 0.830 0.022 1.00 0.00 C ATOM 658 C GLN A 44 10.993 0.638 1.397 1.00 0.00 C ATOM 659 O GLN A 44 11.266 1.395 2.329 1.00 0.00 O ATOM 660 CB GLN A 44 12.948 0.066 -0.055 1.00 0.00 C ATOM 661 CG GLN A 44 13.429 -0.175 -1.477 1.00 0.00 C ATOM 662 CD GLN A 44 14.129 1.033 -2.068 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.451 1.727 -2.975 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 15.268 1.339 -1.714 1.00 0.00 N flip ATOM 0 H GLN A 44 12.258 2.768 0.511 1.00 0.00 H new ATOM 0 HA GLN A 44 10.942 0.436 -0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.712 0.622 0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.834 -0.894 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.110 -1.026 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.578 -0.440 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.753 0.778 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.727 2.154 -2.121 1.00 0.00 H new ATOM 673 N LYS A 45 10.147 -0.379 1.517 1.00 0.00 N ATOM 674 CA LYS A 45 9.476 -0.673 2.778 1.00 0.00 C ATOM 675 C LYS A 45 8.906 -2.087 2.775 1.00 0.00 C ATOM 676 O LYS A 45 8.691 -2.677 1.716 1.00 0.00 O ATOM 677 CB LYS A 45 8.357 0.339 3.032 1.00 0.00 C ATOM 678 CG LYS A 45 8.200 0.720 4.494 1.00 0.00 C ATOM 679 CD LYS A 45 7.649 2.128 4.647 1.00 0.00 C ATOM 680 CE LYS A 45 6.132 2.147 4.544 1.00 0.00 C ATOM 681 NZ LYS A 45 5.493 1.352 5.629 1.00 0.00 N ATOM 0 H LYS A 45 9.909 -1.014 0.755 1.00 0.00 H new ATOM 0 HA LYS A 45 10.213 -0.599 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.554 1.239 2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.416 -0.075 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.533 0.012 4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.165 0.650 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.954 2.537 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.075 2.772 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.778 3.177 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.829 1.749 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.536 1.717 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.434 0.355 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.062 1.428 6.496 1.00 0.00 H new ATOM 695 N ILE A 46 8.662 -2.625 3.965 1.00 0.00 N ATOM 696 CA ILE A 46 8.114 -3.969 4.098 1.00 0.00 C ATOM 697 C ILE A 46 6.798 -3.953 4.869 1.00 0.00 C ATOM 698 O ILE A 46 6.613 -3.150 5.785 1.00 0.00 O ATOM 699 CB ILE A 46 9.102 -4.912 4.811 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.402 -5.021 4.012 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.477 -6.285 5.005 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.474 -5.829 4.710 1.00 0.00 C ATOM 0 H ILE A 46 8.835 -2.151 4.851 1.00 0.00 H new ATOM 0 HA ILE A 46 7.936 -4.338 3.088 1.00 0.00 H new ATOM 0 HB ILE A 46 9.334 -4.498 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.188 -5.476 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.784 -4.019 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.187 -6.940 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.575 -6.192 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.220 -6.708 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.367 -5.864 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.717 -5.363 5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.112 -6.842 4.882 1.00 0.00 H new ATOM 714 N LEU A 47 5.888 -4.845 4.494 1.00 0.00 N ATOM 715 CA LEU A 47 4.589 -4.935 5.152 1.00 0.00 C ATOM 716 C LEU A 47 4.278 -6.374 5.549 1.00 0.00 C ATOM 717 O LEU A 47 4.124 -7.246 4.693 1.00 0.00 O ATOM 718 CB LEU A 47 3.491 -4.400 4.231 1.00 0.00 C ATOM 719 CG LEU A 47 2.095 -4.988 4.439 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.500 -4.500 5.751 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.186 -4.628 3.273 1.00 0.00 C ATOM 0 H LEU A 47 6.025 -5.516 3.738 1.00 0.00 H new ATOM 0 HA LEU A 47 4.625 -4.328 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.431 -3.319 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.790 -4.582 3.199 1.00 0.00 H new ATOM 0 HG LEU A 47 2.182 -6.074 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.506 -4.929 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.140 -4.808 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.427 -3.413 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.197 -5.055 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.105 -3.544 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.604 -5.027 2.349 1.00 0.00 H new ATOM 733 N LEU A 48 4.187 -6.617 6.852 1.00 0.00 N ATOM 734 CA LEU A 48 3.892 -7.951 7.363 1.00 0.00 C ATOM 735 C LEU A 48 2.424 -8.305 7.145 1.00 0.00 C ATOM 736 O LEU A 48 1.542 -7.459 7.290 1.00 0.00 O ATOM 737 CB LEU A 48 4.233 -8.034 8.852 1.00 0.00 C ATOM 738 CG LEU A 48 4.302 -9.441 9.447 1.00 0.00 C ATOM 739 CD1 LEU A 48 5.720 -9.985 9.367 1.00 0.00 C ATOM 740 CD2 LEU A 48 3.811 -9.437 10.887 1.00 0.00 C ATOM 0 H LEU A 48 4.313 -5.908 7.574 1.00 0.00 H new ATOM 0 HA LEU A 48 4.504 -8.667 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.194 -7.546 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.489 -7.462 9.407 1.00 0.00 H new ATOM 0 HG LEU A 48 3.651 -10.093 8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.750 -10.987 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.036 -10.026 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.392 -9.332 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.867 -10.447 11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.435 -8.771 11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.778 -9.091 10.918 1.00 0.00 H new ATOM 752 N VAL A 49 2.170 -9.563 6.798 1.00 0.00 N ATOM 753 CA VAL A 49 0.809 -10.031 6.564 1.00 0.00 C ATOM 754 C VAL A 49 0.554 -11.357 7.273 1.00 0.00 C ATOM 755 O VAL A 49 1.350 -12.290 7.170 1.00 0.00 O ATOM 756 CB VAL A 49 0.526 -10.203 5.060 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.971 -10.290 4.805 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.145 -9.061 4.268 1.00 0.00 C ATOM 0 H VAL A 49 2.889 -10.276 6.673 1.00 0.00 H new ATOM 0 HA VAL A 49 0.139 -9.272 6.968 1.00 0.00 H new ATOM 0 HB VAL A 49 0.982 -11.135 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.152 -10.411 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.383 -11.145 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.453 -9.376 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.935 -9.198 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.720 -8.114 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.223 -9.051 4.426 1.00 0.00 H new ATOM 768 N ARG A 50 -0.561 -11.432 7.992 1.00 0.00 N ATOM 769 CA ARG A 50 -0.921 -12.643 8.719 1.00 0.00 C ATOM 770 C ARG A 50 -2.274 -13.174 8.255 1.00 0.00 C ATOM 771 O ARG A 50 -3.246 -12.426 8.162 1.00 0.00 O ATOM 772 CB ARG A 50 -0.958 -12.368 10.223 1.00 0.00 C ATOM 773 CG ARG A 50 -1.451 -13.548 11.046 1.00 0.00 C ATOM 774 CD ARG A 50 -2.038 -13.094 12.374 1.00 0.00 C ATOM 775 NE ARG A 50 -3.062 -12.068 12.197 1.00 0.00 N ATOM 776 CZ ARG A 50 -3.388 -11.187 13.136 1.00 0.00 C ATOM 777 NH1 ARG A 50 -2.773 -11.206 14.310 1.00 0.00 N ATOM 778 NH2 ARG A 50 -4.331 -10.283 12.900 1.00 0.00 N ATOM 0 H ARG A 50 -1.231 -10.668 8.087 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.163 -13.399 8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.042 -12.094 10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.603 -11.510 10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.205 -14.097 10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.626 -14.236 11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.469 -13.951 12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.241 -12.706 13.009 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.553 -12.026 11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.047 -11.898 14.494 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.026 -10.528 15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.806 -10.265 11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.581 -9.607 13.621 1.00 0.00 H new ATOM 792 N ASN A 51 -2.327 -14.470 7.963 1.00 0.00 N ATOM 793 CA ASN A 51 -3.560 -15.101 7.507 1.00 0.00 C ATOM 794 C ASN A 51 -4.519 -15.325 8.672 1.00 0.00 C ATOM 795 O ASN A 51 -4.291 -16.189 9.520 1.00 0.00 O ATOM 796 CB ASN A 51 -3.253 -16.433 6.821 1.00 0.00 C ATOM 797 CG ASN A 51 -4.472 -17.032 6.147 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.580 -16.507 6.265 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.273 -18.136 5.437 1.00 0.00 N ATOM 0 H ASN A 51 -1.530 -15.103 8.034 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.037 -14.433 6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.468 -16.284 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.866 -17.137 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.056 -18.584 4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.337 -18.536 5.367 1.00 0.00 H new ATOM 806 N ILE A 52 -5.593 -14.543 8.707 1.00 0.00 N ATOM 807 CA ILE A 52 -6.587 -14.658 9.767 1.00 0.00 C ATOM 808 C ILE A 52 -7.830 -15.393 9.277 1.00 0.00 C ATOM 809 O ILE A 52 -8.892 -15.319 9.895 1.00 0.00 O ATOM 810 CB ILE A 52 -7.000 -13.275 10.304 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.489 -12.385 9.160 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.835 -12.620 11.031 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.067 -11.066 9.624 1.00 0.00 C ATOM 0 H ILE A 52 -5.797 -13.823 8.014 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.125 -15.228 10.573 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.818 -13.406 11.013 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.658 -12.190 8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.246 -12.923 8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.142 -11.643 11.405 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.528 -13.248 11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.999 -12.498 10.343 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.393 -10.487 8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.919 -11.252 10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.306 -10.507 10.169 1.00 0.00 H new ATOM 825 N GLY A 53 -7.690 -16.104 8.162 1.00 0.00 N ATOM 826 CA GLY A 53 -8.809 -16.843 7.608 1.00 0.00 C ATOM 827 C GLY A 53 -8.906 -18.250 8.164 1.00 0.00 C ATOM 828 O GLY A 53 -8.304 -18.562 9.191 1.00 0.00 O ATOM 0 H GLY A 53 -6.821 -16.181 7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.735 -16.307 7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.708 -16.890 6.524 1.00 0.00 H new ATOM 832 N ASN A 54 -9.668 -19.102 7.486 1.00 0.00 N ATOM 833 CA ASN A 54 -9.844 -20.483 7.919 1.00 0.00 C ATOM 834 C ASN A 54 -9.090 -21.441 7.002 1.00 0.00 C ATOM 835 O ASN A 54 -8.554 -22.455 7.450 1.00 0.00 O ATOM 836 CB ASN A 54 -11.330 -20.847 7.945 1.00 0.00 C ATOM 837 CG ASN A 54 -12.075 -20.317 6.735 1.00 0.00 C ATOM 838 OD1 ASN A 54 -12.698 -19.257 6.790 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.014 -21.056 5.633 1.00 0.00 N ATOM 0 H ASN A 54 -10.174 -18.860 6.634 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.437 -20.576 8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.435 -21.931 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.784 -20.447 8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.496 -20.751 4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.485 -21.928 5.633 1.00 0.00 H new ATOM 846 N LYS A 55 -9.052 -21.113 5.715 1.00 0.00 N ATOM 847 CA LYS A 55 -8.363 -21.942 4.733 1.00 0.00 C ATOM 848 C LYS A 55 -7.250 -21.159 4.045 1.00 0.00 C ATOM 849 O LYS A 55 -7.057 -19.973 4.311 1.00 0.00 O ATOM 850 CB LYS A 55 -9.354 -22.464 3.690 1.00 0.00 C ATOM 851 CG LYS A 55 -8.863 -23.694 2.946 1.00 0.00 C ATOM 852 CD LYS A 55 -10.021 -24.547 2.455 1.00 0.00 C ATOM 853 CE LYS A 55 -10.706 -23.917 1.253 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.632 -24.870 0.580 1.00 0.00 N ATOM 0 H LYS A 55 -9.491 -20.278 5.327 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.918 -22.788 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.297 -22.700 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.561 -21.673 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.251 -23.387 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.225 -24.287 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.656 -25.539 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.744 -24.679 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.261 -23.035 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.953 -23.579 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.079 -24.403 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.098 -25.700 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.366 -25.173 1.251 1.00 0.00 H new ATOM 868 N ASN A 56 -6.521 -21.830 3.160 1.00 0.00 N ATOM 869 CA ASN A 56 -5.427 -21.196 2.433 1.00 0.00 C ATOM 870 C ASN A 56 -5.894 -19.907 1.764 1.00 0.00 C ATOM 871 O ASN A 56 -6.837 -19.912 0.973 1.00 0.00 O ATOM 872 CB ASN A 56 -4.862 -22.153 1.382 1.00 0.00 C ATOM 873 CG ASN A 56 -3.393 -21.902 1.100 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.627 -21.559 2.000 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.995 -22.072 -0.155 1.00 0.00 N ATOM 0 H ASN A 56 -6.668 -22.813 2.929 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.643 -20.950 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.993 -23.180 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.429 -22.049 0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.018 -21.917 -0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.666 -22.357 -0.869 1.00 0.00 H new ATOM 882 N ALA A 57 -5.226 -18.804 2.086 1.00 0.00 N ATOM 883 CA ALA A 57 -5.571 -17.508 1.515 1.00 0.00 C ATOM 884 C ALA A 57 -4.709 -17.198 0.296 1.00 0.00 C ATOM 885 O ALA A 57 -3.483 -17.297 0.349 1.00 0.00 O ATOM 886 CB ALA A 57 -5.421 -16.413 2.561 1.00 0.00 C ATOM 0 H ALA A 57 -4.443 -18.782 2.739 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.611 -17.547 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.682 -15.451 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.084 -16.619 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.389 -16.384 2.912 1.00 0.00 H new ATOM 892 N VAL A 58 -5.357 -16.825 -0.802 1.00 0.00 N ATOM 893 CA VAL A 58 -4.649 -16.501 -2.035 1.00 0.00 C ATOM 894 C VAL A 58 -4.939 -15.070 -2.476 1.00 0.00 C ATOM 895 O VAL A 58 -6.075 -14.729 -2.806 1.00 0.00 O ATOM 896 CB VAL A 58 -5.034 -17.464 -3.173 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.280 -17.115 -4.447 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.767 -18.905 -2.764 1.00 0.00 C ATOM 0 H VAL A 58 -6.372 -16.739 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.585 -16.605 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.101 -17.357 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.565 -17.807 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.526 -16.097 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.208 -17.191 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.045 -19.572 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.708 -19.029 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.357 -19.148 -1.880 1.00 0.00 H new ATOM 908 N PHE A 59 -3.904 -14.237 -2.479 1.00 0.00 N ATOM 909 CA PHE A 59 -4.048 -12.842 -2.879 1.00 0.00 C ATOM 910 C PHE A 59 -3.082 -12.498 -4.009 1.00 0.00 C ATOM 911 O PHE A 59 -1.927 -12.927 -4.007 1.00 0.00 O ATOM 912 CB PHE A 59 -3.801 -11.919 -1.684 1.00 0.00 C ATOM 913 CG PHE A 59 -2.450 -12.101 -1.054 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.234 -13.106 -0.125 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.395 -11.268 -1.391 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.991 -13.277 0.456 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.151 -11.434 -0.814 1.00 0.00 C ATOM 918 CZ PHE A 59 0.051 -12.439 0.112 1.00 0.00 C ATOM 0 H PHE A 59 -2.957 -14.503 -2.209 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.067 -12.696 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.905 -10.883 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.570 -12.097 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.046 -13.763 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.547 -10.480 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.835 -14.065 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.663 -10.779 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.022 -12.569 0.566 1.00 0.00 H new ATOM 928 N HIS A 60 -3.563 -11.722 -4.975 1.00 0.00 N ATOM 929 CA HIS A 60 -2.743 -11.319 -6.113 1.00 0.00 C ATOM 930 C HIS A 60 -2.812 -9.810 -6.326 1.00 0.00 C ATOM 931 O HIS A 60 -3.799 -9.293 -6.851 1.00 0.00 O ATOM 932 CB HIS A 60 -3.198 -12.047 -7.378 1.00 0.00 C ATOM 933 CG HIS A 60 -2.324 -11.785 -8.566 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.580 -12.302 -9.818 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.192 -11.053 -8.688 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.643 -11.902 -10.659 1.00 0.00 C ATOM 937 NE2 HIS A 60 -0.788 -11.142 -9.998 1.00 0.00 N ATOM 0 H HIS A 60 -4.516 -11.359 -4.993 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.709 -11.590 -5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.220 -13.119 -7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.218 -11.745 -7.614 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.370 -12.901 -10.058 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.698 -10.501 -7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.586 -12.153 -11.708 1.00 0.00 H new ATOM 946 N ILE A 61 -1.760 -9.111 -5.915 1.00 0.00 N ATOM 947 CA ILE A 61 -1.702 -7.662 -6.061 1.00 0.00 C ATOM 948 C ILE A 61 -1.148 -7.269 -7.427 1.00 0.00 C ATOM 949 O ILE A 61 -0.304 -7.965 -7.990 1.00 0.00 O ATOM 950 CB ILE A 61 -0.834 -7.019 -4.963 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.332 -7.439 -3.579 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.846 -5.504 -5.099 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.282 -7.314 -2.496 1.00 0.00 C ATOM 0 H ILE A 61 -0.936 -9.524 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.724 -7.294 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 61 0.192 -7.367 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.194 -6.828 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.676 -8.472 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.228 -5.064 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.450 -5.223 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.868 -5.138 -5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.704 -7.628 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.571 -7.947 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.045 -6.277 -2.424 1.00 0.00 H new ATOM 965 N LYS A 62 -1.628 -6.147 -7.953 1.00 0.00 N ATOM 966 CA LYS A 62 -1.179 -5.658 -9.252 1.00 0.00 C ATOM 967 C LYS A 62 -1.192 -4.133 -9.292 1.00 0.00 C ATOM 968 O LYS A 62 -2.144 -3.497 -8.840 1.00 0.00 O ATOM 969 CB LYS A 62 -2.069 -6.216 -10.365 1.00 0.00 C ATOM 970 CG LYS A 62 -1.890 -7.706 -10.597 1.00 0.00 C ATOM 971 CD LYS A 62 -0.548 -8.013 -11.240 1.00 0.00 C ATOM 972 CE LYS A 62 -0.633 -7.964 -12.758 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.243 -9.201 -13.320 1.00 0.00 N ATOM 0 H LYS A 62 -2.328 -5.559 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.156 -6.000 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.112 -6.018 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.854 -5.684 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.969 -8.235 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.693 -8.075 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.196 -7.296 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.210 -9.000 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.222 -7.099 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.366 -7.831 -13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.283 -9.128 -14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.667 -10.025 -13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.206 -9.315 -12.944 1.00 0.00 H new ATOM 987 N THR A 63 -0.128 -3.552 -9.839 1.00 0.00 N ATOM 988 CA THR A 63 -0.017 -2.102 -9.939 1.00 0.00 C ATOM 989 C THR A 63 1.091 -1.701 -10.906 1.00 0.00 C ATOM 990 O THR A 63 1.851 -2.547 -11.379 1.00 0.00 O ATOM 991 CB THR A 63 0.260 -1.463 -8.565 1.00 0.00 C ATOM 992 OG1 THR A 63 0.220 -0.036 -8.671 1.00 0.00 O ATOM 993 CG2 THR A 63 1.616 -1.899 -8.030 1.00 0.00 C ATOM 0 H THR A 63 0.668 -4.063 -10.219 1.00 0.00 H new ATOM 0 HA THR A 63 -0.973 -1.737 -10.314 1.00 0.00 H new ATOM 0 HB THR A 63 -0.512 -1.797 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.132 0.311 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.790 -1.436 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.633 -2.984 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.397 -1.591 -8.725 1.00 0.00 H new ATOM 1001 N CYS A 64 1.177 -0.408 -11.196 1.00 0.00 N ATOM 1002 CA CYS A 64 2.194 0.106 -12.108 1.00 0.00 C ATOM 1003 C CYS A 64 2.940 1.281 -11.485 1.00 0.00 C ATOM 1004 O CYS A 64 2.411 1.973 -10.614 1.00 0.00 O ATOM 1005 CB CYS A 64 1.554 0.534 -13.429 1.00 0.00 C ATOM 1006 SG CYS A 64 2.719 1.239 -14.619 1.00 0.00 S ATOM 0 H CYS A 64 0.555 0.304 -10.813 1.00 0.00 H new ATOM 0 HA CYS A 64 2.910 -0.693 -12.302 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.067 -0.330 -13.881 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.774 1.267 -13.222 1.00 0.00 H new ATOM 0 HG CYS A 64 2.084 1.568 -15.705 1.00 0.00 H new ATOM 1012 N ARG A 65 4.171 1.500 -11.935 1.00 0.00 N ATOM 1013 CA ARG A 65 4.990 2.590 -11.420 1.00 0.00 C ATOM 1014 C ARG A 65 4.241 3.917 -11.496 1.00 0.00 C ATOM 1015 O ARG A 65 3.264 4.065 -12.231 1.00 0.00 O ATOM 1016 CB ARG A 65 6.300 2.686 -12.204 1.00 0.00 C ATOM 1017 CG ARG A 65 7.426 1.851 -11.614 1.00 0.00 C ATOM 1018 CD ARG A 65 8.646 1.841 -12.521 1.00 0.00 C ATOM 1019 NE ARG A 65 9.377 0.579 -12.442 1.00 0.00 N ATOM 1020 CZ ARG A 65 10.197 0.144 -13.392 1.00 0.00 C ATOM 1021 NH1 ARG A 65 10.390 0.865 -14.487 1.00 0.00 N ATOM 1022 NH2 ARG A 65 10.827 -1.015 -13.247 1.00 0.00 N ATOM 0 H ARG A 65 4.623 0.937 -12.655 1.00 0.00 H new ATOM 0 HA ARG A 65 5.214 2.379 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.123 2.368 -13.231 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.615 3.729 -12.243 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.701 2.248 -10.637 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.079 0.830 -11.457 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.334 2.015 -13.551 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.309 2.662 -12.246 1.00 0.00 H new ATOM 0 HE ARG A 65 9.251 0.000 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.908 1.757 -14.602 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.020 0.528 -15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.682 -1.573 -12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.456 -1.348 -13.977 1.00 0.00 H new ATOM 1036 N PRO A 66 4.708 4.905 -10.719 1.00 0.00 N ATOM 1037 CA PRO A 66 5.869 4.741 -9.840 1.00 0.00 C ATOM 1038 C PRO A 66 5.578 3.819 -8.661 1.00 0.00 C ATOM 1039 O PRO A 66 6.448 3.567 -7.827 1.00 0.00 O ATOM 1040 CB PRO A 66 6.148 6.164 -9.351 1.00 0.00 C ATOM 1041 CG PRO A 66 4.837 6.863 -9.452 1.00 0.00 C ATOM 1042 CD PRO A 66 4.137 6.260 -10.638 1.00 0.00 C ATOM 0 HA PRO A 66 6.711 4.282 -10.358 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.519 6.165 -8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.905 6.652 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.251 6.727 -8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.976 7.936 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.057 6.233 -10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.325 6.830 -11.548 1.00 0.00 H new ATOM 1050 N PHE A 67 4.349 3.318 -8.597 1.00 0.00 N ATOM 1051 CA PHE A 67 3.942 2.424 -7.519 1.00 0.00 C ATOM 1052 C PHE A 67 4.083 0.964 -7.941 1.00 0.00 C ATOM 1053 O PHE A 67 3.486 0.532 -8.926 1.00 0.00 O ATOM 1054 CB PHE A 67 2.497 2.711 -7.107 1.00 0.00 C ATOM 1055 CG PHE A 67 2.376 3.747 -6.027 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.081 3.617 -4.842 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.555 4.851 -6.196 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.972 4.569 -3.845 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.443 5.806 -5.204 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.151 5.665 -4.026 1.00 0.00 C ATOM 0 H PHE A 67 3.617 3.516 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 67 4.597 2.602 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.937 3.042 -7.982 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.035 1.785 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.724 2.762 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.997 4.966 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.528 4.456 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.802 6.663 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.063 6.410 -3.249 1.00 0.00 H new ATOM 1070 N SER A 68 4.877 0.211 -7.187 1.00 0.00 N ATOM 1071 CA SER A 68 5.100 -1.199 -7.484 1.00 0.00 C ATOM 1072 C SER A 68 5.494 -1.964 -6.224 1.00 0.00 C ATOM 1073 O SER A 68 6.075 -1.398 -5.297 1.00 0.00 O ATOM 1074 CB SER A 68 6.188 -1.352 -8.548 1.00 0.00 C ATOM 1075 OG SER A 68 5.869 -0.613 -9.714 1.00 0.00 O ATOM 0 H SER A 68 5.376 0.553 -6.366 1.00 0.00 H new ATOM 0 HA SER A 68 4.168 -1.616 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.143 -1.011 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.307 -2.405 -8.802 1.00 0.00 H new ATOM 0 HG SER A 68 6.256 -1.056 -10.498 1.00 0.00 H new ATOM 1081 N ILE A 69 5.173 -3.253 -6.197 1.00 0.00 N ATOM 1082 CA ILE A 69 5.494 -4.097 -5.053 1.00 0.00 C ATOM 1083 C ILE A 69 5.916 -5.492 -5.499 1.00 0.00 C ATOM 1084 O ILE A 69 5.672 -5.891 -6.637 1.00 0.00 O ATOM 1085 CB ILE A 69 4.298 -4.218 -4.090 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.342 -5.315 -4.565 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.570 -2.887 -3.979 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.840 -5.109 -5.977 1.00 0.00 C ATOM 0 H ILE A 69 4.691 -3.736 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 69 6.323 -3.619 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 69 4.672 -4.489 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.849 -6.278 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.489 -5.361 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.727 -2.989 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.255 -2.128 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.205 -2.589 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.168 -5.924 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.305 -4.161 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.685 -5.093 -6.665 1.00 0.00 H new ATOM 1100 N GLU A 70 6.551 -6.231 -4.594 1.00 0.00 N ATOM 1101 CA GLU A 70 7.006 -7.583 -4.895 1.00 0.00 C ATOM 1102 C GLU A 70 7.194 -8.391 -3.614 1.00 0.00 C ATOM 1103 O GLU A 70 7.679 -7.890 -2.599 1.00 0.00 O ATOM 1104 CB GLU A 70 8.319 -7.539 -5.681 1.00 0.00 C ATOM 1105 CG GLU A 70 9.251 -8.698 -5.372 1.00 0.00 C ATOM 1106 CD GLU A 70 10.171 -9.031 -6.531 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.665 -9.199 -7.660 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.396 -9.125 -6.309 1.00 0.00 O ATOM 0 H GLU A 70 6.762 -5.916 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 70 6.243 -8.070 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.095 -7.538 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.832 -6.603 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.851 -8.453 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.659 -9.578 -5.118 1.00 0.00 H new ATOM 1115 N PRO A 71 6.801 -9.673 -3.661 1.00 0.00 N ATOM 1116 CA PRO A 71 6.223 -10.280 -4.864 1.00 0.00 C ATOM 1117 C PRO A 71 4.831 -9.739 -5.173 1.00 0.00 C ATOM 1118 O PRO A 71 4.079 -9.379 -4.268 1.00 0.00 O ATOM 1119 CB PRO A 71 6.153 -11.768 -4.511 1.00 0.00 C ATOM 1120 CG PRO A 71 6.083 -11.802 -3.024 1.00 0.00 C ATOM 1121 CD PRO A 71 6.891 -10.628 -2.544 1.00 0.00 C ATOM 0 HA PRO A 71 6.815 -10.067 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.279 -12.240 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.028 -12.304 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.051 -11.732 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.486 -12.738 -2.636 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.484 -10.209 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.924 -10.908 -2.337 1.00 0.00 H new ATOM 1129 N ALA A 72 4.494 -9.687 -6.458 1.00 0.00 N ATOM 1130 CA ALA A 72 3.191 -9.193 -6.886 1.00 0.00 C ATOM 1131 C ALA A 72 2.071 -10.109 -6.405 1.00 0.00 C ATOM 1132 O ALA A 72 0.933 -9.674 -6.229 1.00 0.00 O ATOM 1133 CB ALA A 72 3.151 -9.056 -8.401 1.00 0.00 C ATOM 0 H ALA A 72 5.105 -9.981 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 72 3.037 -8.211 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.172 -8.686 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.921 -8.355 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.331 -10.029 -8.859 1.00 0.00 H new ATOM 1139 N ILE A 73 2.401 -11.379 -6.197 1.00 0.00 N ATOM 1140 CA ILE A 73 1.423 -12.356 -5.736 1.00 0.00 C ATOM 1141 C ILE A 73 2.046 -13.334 -4.746 1.00 0.00 C ATOM 1142 O ILE A 73 3.236 -13.638 -4.822 1.00 0.00 O ATOM 1143 CB ILE A 73 0.821 -13.148 -6.912 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.157 -14.206 -6.396 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.925 -13.796 -7.734 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.888 -14.941 -7.497 1.00 0.00 C ATOM 0 H ILE A 73 3.338 -11.755 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 73 0.629 -11.797 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 73 0.274 -12.457 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.389 -14.928 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.887 -13.727 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.484 -14.352 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.587 -13.024 -8.127 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.497 -14.477 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.564 -15.675 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.462 -14.229 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.166 -15.449 -8.137 1.00 0.00 H new ATOM 1158 N GLY A 74 1.233 -13.826 -3.816 1.00 0.00 N ATOM 1159 CA GLY A 74 1.722 -14.766 -2.824 1.00 0.00 C ATOM 1160 C GLY A 74 0.601 -15.529 -2.146 1.00 0.00 C ATOM 1161 O GLY A 74 -0.577 -15.261 -2.386 1.00 0.00 O ATOM 0 H GLY A 74 0.244 -13.590 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.401 -15.472 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.298 -14.228 -2.071 1.00 0.00 H new ATOM 1165 N THR A 75 0.967 -16.484 -1.297 1.00 0.00 N ATOM 1166 CA THR A 75 -0.016 -17.291 -0.585 1.00 0.00 C ATOM 1167 C THR A 75 0.410 -17.527 0.860 1.00 0.00 C ATOM 1168 O THR A 75 1.520 -17.993 1.122 1.00 0.00 O ATOM 1169 CB THR A 75 -0.232 -18.652 -1.274 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.027 -19.304 -1.476 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.938 -18.476 -2.610 1.00 0.00 C ATOM 0 H THR A 75 1.937 -16.718 -1.086 1.00 0.00 H new ATOM 0 HA THR A 75 -0.952 -16.733 -0.599 1.00 0.00 H new ATOM 0 HB THR A 75 -0.859 -19.266 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.597 -19.164 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.080 -19.450 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.908 -18.006 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.333 -17.845 -3.261 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.477 -17.204 1.794 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.194 -17.383 3.213 1.00 0.00 C ATOM 1181 C LEU A 76 -1.058 -18.490 3.807 1.00 0.00 C ATOM 1182 O LEU A 76 -2.142 -18.783 3.303 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.431 -16.074 3.969 1.00 0.00 C ATOM 1184 CG LEU A 76 0.339 -15.907 5.280 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.834 -16.051 5.042 1.00 0.00 C ATOM 1186 CD2 LEU A 76 0.025 -14.560 5.914 1.00 0.00 C ATOM 0 H LEU A 76 -1.399 -16.816 1.594 1.00 0.00 H new ATOM 0 HA LEU A 76 0.852 -17.671 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.171 -15.245 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.496 -15.989 4.183 1.00 0.00 H new ATOM 0 HG LEU A 76 0.024 -16.692 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.366 -15.929 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.044 -17.039 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.165 -15.288 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.581 -14.458 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.312 -13.761 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.043 -14.495 6.120 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.571 -19.102 4.882 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.300 -20.177 5.545 1.00 0.00 C ATOM 1200 C ASN A 77 -1.954 -19.679 6.831 1.00 0.00 C ATOM 1201 O ASN A 77 -1.436 -18.781 7.495 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.360 -21.343 5.856 1.00 0.00 C ATOM 1203 CG ASN A 77 0.653 -21.579 4.753 1.00 0.00 C ATOM 1204 OD1 ASN A 77 0.343 -21.439 3.570 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.872 -21.941 5.136 1.00 0.00 N ATOM 0 H ASN A 77 0.325 -18.872 5.312 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.083 -20.521 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.164 -21.144 6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.947 -22.249 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.595 -22.115 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.085 -22.045 6.128 1.00 0.00 H new ATOM 1212 N VAL A 78 -3.094 -20.268 7.175 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.818 -19.885 8.382 1.00 0.00 C ATOM 1214 C VAL A 78 -2.910 -19.933 9.606 1.00 0.00 C ATOM 1215 O VAL A 78 -2.483 -21.005 10.033 1.00 0.00 O ATOM 1216 CB VAL A 78 -5.033 -20.801 8.621 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.728 -20.437 9.925 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -6.001 -20.719 7.451 1.00 0.00 C ATOM 0 H VAL A 78 -3.537 -21.012 6.636 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.166 -18.863 8.232 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.680 -21.829 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.584 -21.095 10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.030 -20.553 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.069 -19.403 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.853 -21.373 7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.349 -19.692 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.496 -21.033 6.538 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.620 -18.763 10.167 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.764 -18.694 11.337 1.00 0.00 C ATOM 1230 C GLY A 79 -0.373 -18.189 11.009 1.00 0.00 C ATOM 1231 O GLY A 79 0.210 -17.418 11.771 1.00 0.00 O ATOM 0 H GLY A 79 -2.962 -17.862 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.220 -18.038 12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.691 -19.683 11.789 1.00 0.00 H new ATOM 1235 N GLU A 80 0.161 -18.626 9.873 1.00 0.00 N ATOM 1236 CA GLU A 80 1.494 -18.215 9.448 1.00 0.00 C ATOM 1237 C GLU A 80 1.478 -16.787 8.910 1.00 0.00 C ATOM 1238 O GLU A 80 0.476 -16.332 8.359 1.00 0.00 O ATOM 1239 CB GLU A 80 2.029 -19.169 8.377 1.00 0.00 C ATOM 1240 CG GLU A 80 2.356 -20.555 8.905 1.00 0.00 C ATOM 1241 CD GLU A 80 1.166 -21.493 8.859 1.00 0.00 C ATOM 1242 OE1 GLU A 80 0.168 -21.222 9.559 1.00 0.00 O ATOM 1243 OE2 GLU A 80 1.232 -22.499 8.121 1.00 0.00 O ATOM 0 H GLU A 80 -0.309 -19.264 9.231 1.00 0.00 H new ATOM 0 HA GLU A 80 2.151 -18.250 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.291 -19.258 7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.926 -18.737 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.171 -20.980 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.710 -20.474 9.933 1.00 0.00 H new ATOM 1250 N SER A 81 2.594 -16.086 9.077 1.00 0.00 N ATOM 1251 CA SER A 81 2.708 -14.708 8.613 1.00 0.00 C ATOM 1252 C SER A 81 3.758 -14.590 7.512 1.00 0.00 C ATOM 1253 O SER A 81 4.408 -15.571 7.153 1.00 0.00 O ATOM 1254 CB SER A 81 3.067 -13.783 9.777 1.00 0.00 C ATOM 1255 OG SER A 81 2.190 -13.978 10.873 1.00 0.00 O ATOM 0 H SER A 81 3.433 -16.449 9.530 1.00 0.00 H new ATOM 0 HA SER A 81 1.743 -14.408 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.094 -13.970 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.019 -12.745 9.449 1.00 0.00 H new ATOM 0 HG SER A 81 2.442 -13.376 11.604 1.00 0.00 H new ATOM 1261 N MET A 82 3.916 -13.382 6.981 1.00 0.00 N ATOM 1262 CA MET A 82 4.888 -13.135 5.922 1.00 0.00 C ATOM 1263 C MET A 82 5.170 -11.642 5.781 1.00 0.00 C ATOM 1264 O MET A 82 4.576 -10.821 6.479 1.00 0.00 O ATOM 1265 CB MET A 82 4.380 -13.698 4.593 1.00 0.00 C ATOM 1266 CG MET A 82 3.414 -12.772 3.871 1.00 0.00 C ATOM 1267 SD MET A 82 4.224 -11.775 2.606 1.00 0.00 S ATOM 1268 CE MET A 82 4.241 -12.921 1.230 1.00 0.00 C ATOM 0 H MET A 82 3.384 -12.560 7.266 1.00 0.00 H new ATOM 0 HA MET A 82 5.817 -13.639 6.190 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.232 -13.899 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.887 -14.653 4.777 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.624 -13.365 3.410 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.937 -12.114 4.597 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.713 -12.448 0.369 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.802 -13.813 1.507 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.218 -13.200 0.976 1.00 0.00 H new ATOM 1278 N GLN A 83 6.079 -11.299 4.874 1.00 0.00 N ATOM 1279 CA GLN A 83 6.439 -9.906 4.643 1.00 0.00 C ATOM 1280 C GLN A 83 6.341 -9.556 3.162 1.00 0.00 C ATOM 1281 O GLN A 83 6.617 -10.389 2.297 1.00 0.00 O ATOM 1282 CB GLN A 83 7.856 -9.632 5.151 1.00 0.00 C ATOM 1283 CG GLN A 83 7.936 -9.441 6.657 1.00 0.00 C ATOM 1284 CD GLN A 83 9.358 -9.251 7.147 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.192 -10.150 7.030 1.00 0.00 O ATOM 1286 NE2 GLN A 83 9.643 -8.078 7.698 1.00 0.00 N ATOM 0 H GLN A 83 6.579 -11.967 4.287 1.00 0.00 H new ATOM 0 HA GLN A 83 5.736 -9.280 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.503 -10.461 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.243 -8.740 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.339 -8.575 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.498 -10.307 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.921 -7.362 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.584 -7.893 8.045 1.00 0.00 H new ATOM 1295 N LEU A 84 5.946 -8.320 2.876 1.00 0.00 N ATOM 1296 CA LEU A 84 5.811 -7.860 1.498 1.00 0.00 C ATOM 1297 C LEU A 84 6.650 -6.610 1.257 1.00 0.00 C ATOM 1298 O LEU A 84 6.468 -5.591 1.923 1.00 0.00 O ATOM 1299 CB LEU A 84 4.343 -7.573 1.177 1.00 0.00 C ATOM 1300 CG LEU A 84 3.416 -8.787 1.132 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.964 -8.347 1.029 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.783 -9.696 -0.032 1.00 0.00 C ATOM 0 H LEU A 84 5.714 -7.619 3.579 1.00 0.00 H new ATOM 0 HA LEU A 84 6.173 -8.650 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.959 -6.875 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.295 -7.068 0.212 1.00 0.00 H new ATOM 0 HG LEU A 84 3.539 -9.348 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.319 -9.225 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.706 -7.738 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.825 -7.762 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.112 -10.555 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.689 -9.145 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.811 -10.040 0.085 1.00 0.00 H new ATOM 1314 N GLU A 85 7.569 -6.695 0.299 1.00 0.00 N ATOM 1315 CA GLU A 85 8.435 -5.569 -0.030 1.00 0.00 C ATOM 1316 C GLU A 85 7.786 -4.673 -1.082 1.00 0.00 C ATOM 1317 O GLU A 85 7.553 -5.095 -2.214 1.00 0.00 O ATOM 1318 CB GLU A 85 9.789 -6.069 -0.536 1.00 0.00 C ATOM 1319 CG GLU A 85 10.736 -6.491 0.575 1.00 0.00 C ATOM 1320 CD GLU A 85 11.758 -7.513 0.115 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.354 -8.511 -0.518 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.960 -7.314 0.387 1.00 0.00 O ATOM 0 H GLU A 85 7.732 -7.531 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 85 8.588 -4.984 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.628 -6.914 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.261 -5.282 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.254 -5.612 0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.159 -6.907 1.401 1.00 0.00 H new ATOM 1329 N VAL A 86 7.497 -3.434 -0.698 1.00 0.00 N ATOM 1330 CA VAL A 86 6.876 -2.477 -1.606 1.00 0.00 C ATOM 1331 C VAL A 86 7.878 -1.424 -2.065 1.00 0.00 C ATOM 1332 O VAL A 86 8.644 -0.892 -1.262 1.00 0.00 O ATOM 1333 CB VAL A 86 5.675 -1.774 -0.945 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.149 -0.662 -1.841 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.578 -2.778 -0.627 1.00 0.00 C ATOM 0 H VAL A 86 7.683 -3.069 0.236 1.00 0.00 H new ATOM 0 HA VAL A 86 6.526 -3.042 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 86 6.008 -1.327 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.301 -0.176 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.937 0.071 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.831 -1.083 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.738 -2.263 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.245 -3.256 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.964 -3.535 0.056 1.00 0.00 H new ATOM 1345 N GLU A 87 7.867 -1.129 -3.361 1.00 0.00 N ATOM 1346 CA GLU A 87 8.776 -0.140 -3.927 1.00 0.00 C ATOM 1347 C GLU A 87 8.001 1.005 -4.573 1.00 0.00 C ATOM 1348 O GLU A 87 7.029 0.782 -5.295 1.00 0.00 O ATOM 1349 CB GLU A 87 9.698 -0.792 -4.959 1.00 0.00 C ATOM 1350 CG GLU A 87 10.941 0.025 -5.268 1.00 0.00 C ATOM 1351 CD GLU A 87 11.661 -0.456 -6.513 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.731 -1.686 -6.719 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.154 0.397 -7.280 1.00 0.00 O ATOM 0 H GLU A 87 7.239 -1.561 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 87 9.381 0.265 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.000 -1.774 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.140 -0.952 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.661 1.071 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.622 -0.021 -4.418 1.00 0.00 H new ATOM 1360 N PHE A 88 8.438 2.232 -4.307 1.00 0.00 N ATOM 1361 CA PHE A 88 7.785 3.412 -4.861 1.00 0.00 C ATOM 1362 C PHE A 88 8.758 4.585 -4.939 1.00 0.00 C ATOM 1363 O PHE A 88 9.322 5.005 -3.929 1.00 0.00 O ATOM 1364 CB PHE A 88 6.573 3.797 -4.010 1.00 0.00 C ATOM 1365 CG PHE A 88 6.162 5.233 -4.166 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.603 5.683 -5.351 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.336 6.133 -3.127 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.224 7.004 -5.498 1.00 0.00 C ATOM 1369 CE2 PHE A 88 5.959 7.455 -3.268 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.403 7.892 -4.455 1.00 0.00 C ATOM 0 H PHE A 88 9.241 2.435 -3.712 1.00 0.00 H new ATOM 0 HA PHE A 88 7.450 3.171 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.733 3.156 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.800 3.604 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.462 4.993 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.771 5.798 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.789 7.342 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.099 8.147 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.109 8.925 -4.567 1.00 0.00 H new ATOM 1380 N GLU A 89 8.949 5.109 -6.146 1.00 0.00 N ATOM 1381 CA GLU A 89 9.855 6.232 -6.356 1.00 0.00 C ATOM 1382 C GLU A 89 9.135 7.390 -7.041 1.00 0.00 C ATOM 1383 O GLU A 89 8.905 7.383 -8.250 1.00 0.00 O ATOM 1384 CB GLU A 89 11.057 5.796 -7.196 1.00 0.00 C ATOM 1385 CG GLU A 89 12.021 6.928 -7.512 1.00 0.00 C ATOM 1386 CD GLU A 89 12.899 6.629 -8.711 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.433 6.829 -9.852 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.052 6.195 -8.509 1.00 0.00 O ATOM 0 H GLU A 89 8.489 4.774 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 89 10.206 6.570 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.594 5.010 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.699 5.363 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.455 7.840 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.651 7.117 -6.643 1.00 0.00 H new ATOM 1395 N PRO A 90 8.770 8.410 -6.250 1.00 0.00 N ATOM 1396 CA PRO A 90 8.071 9.595 -6.757 1.00 0.00 C ATOM 1397 C PRO A 90 8.966 10.466 -7.632 1.00 0.00 C ATOM 1398 O PRO A 90 9.588 11.412 -7.150 1.00 0.00 O ATOM 1399 CB PRO A 90 7.675 10.345 -5.483 1.00 0.00 C ATOM 1400 CG PRO A 90 8.669 9.911 -4.463 1.00 0.00 C ATOM 1401 CD PRO A 90 9.012 8.486 -4.799 1.00 0.00 C ATOM 0 HA PRO A 90 7.226 9.329 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.707 11.424 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.659 10.096 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.557 10.543 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.255 9.986 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.048 8.253 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.387 7.782 -4.250 1.00 0.00 H new ATOM 1409 N GLN A 91 9.025 10.140 -8.919 1.00 0.00 N ATOM 1410 CA GLN A 91 9.845 10.893 -9.861 1.00 0.00 C ATOM 1411 C GLN A 91 9.626 12.393 -9.694 1.00 0.00 C ATOM 1412 O GLN A 91 10.578 13.173 -9.694 1.00 0.00 O ATOM 1413 CB GLN A 91 9.524 10.475 -11.297 1.00 0.00 C ATOM 1414 CG GLN A 91 10.355 11.203 -12.342 1.00 0.00 C ATOM 1415 CD GLN A 91 11.800 11.381 -11.918 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.433 10.291 -11.499 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 12.341 12.486 -11.967 1.00 0.00 N flip ATOM 0 H GLN A 91 8.515 9.360 -9.333 1.00 0.00 H new ATOM 0 HA GLN A 91 10.891 10.671 -9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.686 9.402 -11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.467 10.658 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.321 10.647 -13.279 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.914 12.181 -12.535 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.816 13.297 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.314 12.591 -11.679 1.00 0.00 H new ATOM 1426 N SER A 92 8.366 12.790 -9.551 1.00 0.00 N ATOM 1427 CA SER A 92 8.021 14.197 -9.388 1.00 0.00 C ATOM 1428 C SER A 92 7.839 14.544 -7.913 1.00 0.00 C ATOM 1429 O SER A 92 7.096 13.877 -7.194 1.00 0.00 O ATOM 1430 CB SER A 92 6.743 14.525 -10.162 1.00 0.00 C ATOM 1431 OG SER A 92 5.593 14.095 -9.454 1.00 0.00 O ATOM 0 H SER A 92 7.567 12.157 -9.545 1.00 0.00 H new ATOM 0 HA SER A 92 8.841 14.795 -9.786 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.686 15.599 -10.337 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.773 14.044 -11.140 1.00 0.00 H new ATOM 0 HG SER A 92 4.790 14.317 -9.969 1.00 0.00 H new ATOM 1437 N VAL A 93 8.523 15.594 -7.470 1.00 0.00 N ATOM 1438 CA VAL A 93 8.437 16.032 -6.082 1.00 0.00 C ATOM 1439 C VAL A 93 7.033 16.521 -5.746 1.00 0.00 C ATOM 1440 O VAL A 93 6.441 17.302 -6.491 1.00 0.00 O ATOM 1441 CB VAL A 93 9.446 17.157 -5.784 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.218 18.338 -6.716 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.348 17.589 -4.329 1.00 0.00 C ATOM 0 H VAL A 93 9.143 16.157 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 93 8.675 15.167 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 93 10.452 16.775 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.940 19.123 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.343 18.015 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.208 18.723 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.068 18.384 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.341 17.953 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.564 16.739 -3.682 1.00 0.00 H new ATOM 1453 N GLY A 94 6.503 16.057 -4.618 1.00 0.00 N ATOM 1454 CA GLY A 94 5.172 16.459 -4.202 1.00 0.00 C ATOM 1455 C GLY A 94 4.437 15.356 -3.468 1.00 0.00 C ATOM 1456 O GLY A 94 5.033 14.347 -3.091 1.00 0.00 O ATOM 0 H GLY A 94 6.972 15.410 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.245 17.335 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.595 16.756 -5.078 1.00 0.00 H new ATOM 1460 N ASP A 95 3.139 15.548 -3.262 1.00 0.00 N ATOM 1461 CA ASP A 95 2.320 14.561 -2.567 1.00 0.00 C ATOM 1462 C ASP A 95 1.774 13.523 -3.542 1.00 0.00 C ATOM 1463 O ASP A 95 1.029 13.854 -4.465 1.00 0.00 O ATOM 1464 CB ASP A 95 1.166 15.248 -1.835 1.00 0.00 C ATOM 1465 CG ASP A 95 0.571 16.389 -2.636 1.00 0.00 C ATOM 1466 OD1 ASP A 95 -0.293 16.122 -3.497 1.00 0.00 O ATOM 1467 OD2 ASP A 95 0.969 17.550 -2.403 1.00 0.00 O ATOM 0 H ASP A 95 2.631 16.378 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 95 2.950 14.052 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.389 14.515 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.521 15.627 -0.877 1.00 0.00 H new ATOM 1472 N HIS A 96 2.151 12.266 -3.332 1.00 0.00 N ATOM 1473 CA HIS A 96 1.699 11.178 -4.194 1.00 0.00 C ATOM 1474 C HIS A 96 0.815 10.204 -3.421 1.00 0.00 C ATOM 1475 O HIS A 96 1.192 9.723 -2.352 1.00 0.00 O ATOM 1476 CB HIS A 96 2.898 10.438 -4.786 1.00 0.00 C ATOM 1477 CG HIS A 96 3.563 11.175 -5.908 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.131 11.104 -7.216 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.633 12.003 -5.911 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.908 11.855 -7.975 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.828 12.412 -7.208 1.00 0.00 N ATOM 0 H HIS A 96 2.768 11.975 -2.573 1.00 0.00 H new ATOM 0 HA HIS A 96 1.111 11.609 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.629 10.258 -3.997 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.571 9.463 -5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.224 12.289 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.808 11.991 -9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.563 13.043 -7.527 1.00 0.00 H new ATOM 1490 N SER A 97 -0.362 9.919 -3.968 1.00 0.00 N ATOM 1491 CA SER A 97 -1.301 9.005 -3.328 1.00 0.00 C ATOM 1492 C SER A 97 -1.949 8.083 -4.356 1.00 0.00 C ATOM 1493 O SER A 97 -2.351 8.520 -5.433 1.00 0.00 O ATOM 1494 CB SER A 97 -2.380 9.791 -2.580 1.00 0.00 C ATOM 1495 OG SER A 97 -3.173 10.549 -3.477 1.00 0.00 O ATOM 0 H SER A 97 -0.688 10.308 -4.853 1.00 0.00 H new ATOM 0 HA SER A 97 -0.746 8.394 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.014 9.103 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.912 10.455 -1.853 1.00 0.00 H new ATOM 0 HG SER A 97 -3.856 11.041 -2.975 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.045 6.801 -4.014 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.644 5.836 -4.917 1.00 0.00 C ATOM 1503 C GLY A 98 -3.546 4.852 -4.199 1.00 0.00 C ATOM 1504 O GLY A 98 -4.099 5.162 -3.144 1.00 0.00 O ATOM 0 H GLY A 98 -1.719 6.414 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.220 6.363 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.856 5.290 -5.435 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.695 3.662 -4.772 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.538 2.630 -4.180 1.00 0.00 C ATOM 1510 C ARG A 99 -4.071 1.239 -4.600 1.00 0.00 C ATOM 1511 O ARG A 99 -3.845 0.979 -5.783 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.997 2.835 -4.593 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.997 2.343 -3.559 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.370 2.120 -4.174 1.00 0.00 C ATOM 1515 NE ARG A 99 -9.017 3.378 -4.537 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.843 4.038 -3.732 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.119 3.563 -2.526 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -10.393 5.177 -4.134 1.00 0.00 N ATOM 0 H ARG A 99 -3.243 3.389 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.459 2.709 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.168 3.896 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.176 2.316 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.639 1.412 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.073 3.070 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.273 1.493 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.000 1.579 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.824 3.771 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.697 2.689 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.753 4.072 -1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.182 5.546 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.027 5.683 -3.516 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.928 0.349 -3.625 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.487 -1.015 -3.892 1.00 0.00 C ATOM 1534 C LEU A 100 -4.678 -1.963 -3.991 1.00 0.00 C ATOM 1535 O LEU A 100 -5.347 -2.241 -2.996 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.533 -1.489 -2.794 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.055 -1.159 -3.000 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.262 -1.445 -1.734 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.491 -1.947 -4.174 1.00 0.00 C ATOM 0 H LEU A 100 -4.111 0.548 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.962 -1.020 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.854 -1.052 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.633 -2.570 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.968 -0.096 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.788 -1.204 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.649 -0.836 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.356 -2.500 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.562 -1.699 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.591 -3.014 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.040 -1.692 -5.081 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.935 -2.457 -5.197 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.043 -3.377 -5.425 1.00 0.00 C ATOM 1553 C ILE A 101 -5.567 -4.825 -5.411 1.00 0.00 C ATOM 1554 O ILE A 101 -4.768 -5.236 -6.253 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.745 -3.091 -6.766 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.034 -1.595 -6.907 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.031 -3.897 -6.873 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.924 -1.046 -5.814 1.00 0.00 C ATOM 0 H ILE A 101 -4.391 -2.236 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.753 -3.223 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.082 -3.392 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.091 -1.049 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.505 -1.414 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.516 -3.684 -7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.800 -4.961 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.700 -3.625 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.086 0.019 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.882 -1.566 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.446 -1.195 -4.846 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.066 -5.597 -4.451 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.694 -7.002 -4.329 1.00 0.00 C ATOM 1572 C VAL A 102 -6.821 -7.912 -4.806 1.00 0.00 C ATOM 1573 O VAL A 102 -7.997 -7.638 -4.565 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.338 -7.364 -2.875 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.760 -8.769 -2.801 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.365 -6.347 -2.297 1.00 0.00 C ATOM 0 H VAL A 102 -6.729 -5.273 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.817 -7.153 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.250 -7.341 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.514 -9.007 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.493 -9.484 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.858 -8.824 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.124 -6.618 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.453 -6.337 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.821 -5.357 -2.314 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.453 -8.994 -5.482 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.433 -9.946 -5.993 1.00 0.00 C ATOM 1588 C CYS A 103 -7.311 -11.289 -5.281 1.00 0.00 C ATOM 1589 O CYS A 103 -6.218 -11.846 -5.169 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.253 -10.135 -7.500 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.092 -8.890 -8.507 1.00 0.00 S ATOM 0 H CYS A 103 -5.484 -9.234 -5.689 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.428 -9.544 -5.801 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.188 -10.117 -7.733 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.624 -11.122 -7.778 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.878 -9.134 -9.766 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.437 -11.802 -4.800 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.455 -13.078 -4.094 1.00 0.00 C ATOM 1599 C TYR A 104 -9.074 -14.171 -4.961 1.00 0.00 C ATOM 1600 O TYR A 104 -9.942 -13.904 -5.791 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.234 -12.949 -2.784 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.522 -12.125 -1.735 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.222 -10.787 -1.960 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.150 -12.684 -0.519 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.570 -10.031 -1.005 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.499 -11.935 0.443 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.212 -10.609 0.194 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.564 -9.858 1.149 1.00 0.00 O ATOM 0 H TYR A 104 -9.350 -11.354 -4.886 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.425 -13.356 -3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.205 -12.498 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.424 -13.945 -2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.503 -10.330 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.373 -13.722 -0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.342 -8.993 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.217 -12.385 1.383 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.017 -9.964 2.012 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.620 -15.403 -4.760 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.128 -16.539 -5.521 1.00 0.00 C ATOM 1620 C ASP A 105 -10.654 -16.561 -5.509 1.00 0.00 C ATOM 1621 O ASP A 105 -11.293 -16.659 -6.557 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.582 -17.848 -4.950 1.00 0.00 C ATOM 1623 CG ASP A 105 -9.386 -19.054 -5.395 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -9.054 -19.632 -6.452 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -10.347 -19.420 -4.687 1.00 0.00 O ATOM 0 H ASP A 105 -7.901 -15.641 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.792 -16.434 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.545 -17.972 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.584 -17.795 -3.861 1.00 0.00 H new ATOM 1630 N THR A 106 -11.233 -16.471 -4.316 1.00 0.00 N ATOM 1631 CA THR A 106 -12.683 -16.484 -4.167 1.00 0.00 C ATOM 1632 C THR A 106 -13.335 -15.422 -5.045 1.00 0.00 C ATOM 1633 O THR A 106 -14.319 -15.690 -5.732 1.00 0.00 O ATOM 1634 CB THR A 106 -13.099 -16.248 -2.702 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.525 -16.287 -2.586 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.580 -14.909 -2.200 1.00 0.00 C ATOM 0 H THR A 106 -10.720 -16.388 -3.438 1.00 0.00 H new ATOM 0 HA THR A 106 -13.024 -17.471 -4.480 1.00 0.00 H new ATOM 0 HB THR A 106 -12.663 -17.039 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.781 -16.138 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.886 -14.765 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.492 -14.894 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.989 -14.107 -2.814 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.778 -14.215 -5.019 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.319 -13.131 -5.818 1.00 0.00 C ATOM 1646 C GLY A 107 -13.500 -11.856 -5.018 1.00 0.00 C ATOM 1647 O GLY A 107 -14.386 -11.053 -5.311 1.00 0.00 O ATOM 0 H GLY A 107 -11.962 -13.969 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.654 -12.937 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.280 -13.435 -6.234 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.660 -11.669 -4.005 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.734 -10.484 -3.160 1.00 0.00 C ATOM 1653 C GLU A 108 -11.775 -9.404 -3.652 1.00 0.00 C ATOM 1654 O GLU A 108 -10.946 -9.646 -4.530 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.412 -10.844 -1.708 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.519 -11.620 -1.014 1.00 0.00 C ATOM 1657 CD GLU A 108 -14.512 -10.715 -0.310 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -14.627 -9.538 -0.709 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -15.173 -11.185 0.640 1.00 0.00 O ATOM 0 H GLU A 108 -11.920 -12.323 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.751 -10.095 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.496 -11.434 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.217 -9.928 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.046 -12.230 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.079 -12.304 -0.289 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.895 -8.210 -3.082 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.040 -7.091 -3.460 1.00 0.00 C ATOM 1668 C LYS A 109 -10.874 -6.116 -2.299 1.00 0.00 C ATOM 1669 O LYS A 109 -11.856 -5.639 -1.731 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.624 -6.362 -4.672 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.573 -5.719 -5.560 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.196 -5.091 -6.796 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.699 -3.683 -6.513 1.00 0.00 C ATOM 1674 NZ LYS A 109 -12.240 -3.031 -7.738 1.00 0.00 N ATOM 0 H LYS A 109 -12.577 -7.992 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.059 -7.489 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.205 -7.068 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.314 -5.593 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.035 -4.957 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.841 -6.469 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.461 -5.061 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.023 -5.711 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.475 -3.721 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.885 -3.081 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.572 -2.074 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.492 -2.971 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.034 -3.592 -8.108 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.624 -5.822 -1.953 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.330 -4.902 -0.861 1.00 0.00 C ATOM 1690 C VAL A 110 -8.745 -3.595 -1.386 1.00 0.00 C ATOM 1691 O VAL A 110 -8.111 -3.566 -2.441 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.345 -5.523 0.147 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -6.922 -5.455 -0.385 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.453 -4.826 1.495 1.00 0.00 C ATOM 0 H VAL A 110 -8.799 -6.208 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.274 -4.698 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.606 -6.572 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.241 -5.898 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.858 -6.004 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.646 -4.414 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.750 -5.277 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.219 -3.768 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.467 -4.933 1.880 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.963 -2.515 -0.643 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.458 -1.204 -1.034 1.00 0.00 C ATOM 1706 C PHE A 111 -7.515 -0.646 0.028 1.00 0.00 C ATOM 1707 O PHE A 111 -7.907 -0.443 1.178 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.619 -0.234 -1.263 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.544 -0.657 -2.367 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -10.120 -0.647 -3.686 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.838 -1.066 -2.087 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.970 -1.035 -4.705 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.693 -1.455 -3.101 1.00 0.00 C ATOM 1714 CZ PHE A 111 -12.258 -1.441 -4.412 1.00 0.00 C ATOM 0 H PHE A 111 -9.486 -2.522 0.233 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.902 -1.319 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.189 -0.138 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.217 0.753 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -9.114 -0.332 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.183 -1.081 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.628 -1.021 -5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.700 -1.769 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.923 -1.747 -5.206 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.270 -0.399 -0.365 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.270 0.137 0.552 1.00 0.00 C ATOM 1726 C VAL A 112 -4.615 1.389 -0.020 1.00 0.00 C ATOM 1727 O VAL A 112 -3.745 1.306 -0.887 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.179 -0.904 0.862 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.159 -0.334 1.836 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.800 -2.179 1.413 1.00 0.00 C ATOM 0 H VAL A 112 -5.929 -0.561 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.791 0.393 1.475 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.662 -1.151 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.396 -1.084 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.692 0.548 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.658 -0.057 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.014 -2.904 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.343 -1.952 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.488 -2.596 0.678 1.00 0.00 H new ATOM 1740 N SER A 113 -5.039 2.549 0.471 1.00 0.00 N ATOM 1741 CA SER A 113 -4.496 3.820 0.007 1.00 0.00 C ATOM 1742 C SER A 113 -2.974 3.829 0.106 1.00 0.00 C ATOM 1743 O SER A 113 -2.387 3.089 0.897 1.00 0.00 O ATOM 1744 CB SER A 113 -5.078 4.976 0.822 1.00 0.00 C ATOM 1745 OG SER A 113 -6.385 5.304 0.381 1.00 0.00 O ATOM 0 H SER A 113 -5.757 2.635 1.190 1.00 0.00 H new ATOM 0 HA SER A 113 -4.776 3.946 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.104 4.704 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.431 5.849 0.734 1.00 0.00 H new ATOM 0 HG SER A 113 -6.736 6.044 0.919 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.339 4.672 -0.701 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.884 4.779 -0.706 1.00 0.00 C ATOM 1753 C LEU A 114 -0.443 6.211 -0.422 1.00 0.00 C ATOM 1754 O LEU A 114 -1.192 7.160 -0.655 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.324 4.317 -2.052 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.334 2.809 -2.302 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.228 2.492 -3.679 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.456 2.084 -1.222 1.00 0.00 C ATOM 0 H LEU A 114 -2.809 5.292 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.494 4.136 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.895 4.800 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.703 4.672 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.366 2.461 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.213 1.414 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.379 2.980 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.254 2.854 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.438 1.012 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.487 2.437 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.009 2.284 -0.248 1.00 0.00 H new ATOM 1770 N TYR A 115 0.778 6.359 0.080 1.00 0.00 N ATOM 1771 CA TYR A 115 1.319 7.676 0.396 1.00 0.00 C ATOM 1772 C TYR A 115 2.833 7.702 0.207 1.00 0.00 C ATOM 1773 O TYR A 115 3.466 6.662 0.031 1.00 0.00 O ATOM 1774 CB TYR A 115 0.967 8.064 1.833 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.211 9.007 1.934 1.00 0.00 C ATOM 1776 CD1 TYR A 115 -0.087 10.345 1.579 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.447 8.560 2.383 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.161 11.210 1.671 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.526 9.417 2.476 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.378 10.741 2.119 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.450 11.599 2.210 1.00 0.00 O ATOM 0 H TYR A 115 1.411 5.584 0.277 1.00 0.00 H new ATOM 0 HA TYR A 115 0.873 8.398 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.748 7.160 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.836 8.530 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.864 10.715 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.566 7.524 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.048 12.248 1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.480 9.052 2.826 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.232 11.111 2.541 1.00 0.00 H new ATOM 1791 N GLY A 116 3.408 8.900 0.247 1.00 0.00 N ATOM 1792 CA GLY A 116 4.842 9.041 0.079 1.00 0.00 C ATOM 1793 C GLY A 116 5.247 10.455 -0.286 1.00 0.00 C ATOM 1794 O GLY A 116 5.781 10.695 -1.368 1.00 0.00 O ATOM 0 H GLY A 116 2.906 9.776 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.343 8.750 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.183 8.357 -0.698 1.00 0.00 H new ATOM 1798 N ALA A 117 4.991 11.395 0.619 1.00 0.00 N ATOM 1799 CA ALA A 117 5.333 12.792 0.387 1.00 0.00 C ATOM 1800 C ALA A 117 6.794 12.939 -0.025 1.00 0.00 C ATOM 1801 O ALA A 117 7.698 12.787 0.795 1.00 0.00 O ATOM 1802 CB ALA A 117 5.048 13.619 1.632 1.00 0.00 C ATOM 0 H ALA A 117 4.548 11.213 1.520 1.00 0.00 H new ATOM 0 HA ALA A 117 4.714 13.161 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.308 14.661 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.989 13.549 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.642 13.241 2.464 1.00 0.00 H new ATOM 1808 N ALA A 118 7.017 13.235 -1.302 1.00 0.00 N ATOM 1809 CA ALA A 118 8.368 13.404 -1.822 1.00 0.00 C ATOM 1810 C ALA A 118 8.868 14.828 -1.601 1.00 0.00 C ATOM 1811 O ALA A 118 8.076 15.749 -1.401 1.00 0.00 O ATOM 1812 CB ALA A 118 8.412 13.051 -3.301 1.00 0.00 C ATOM 0 H ALA A 118 6.279 13.363 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 118 9.027 12.727 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.427 13.182 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.106 12.014 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.735 13.704 -3.851 1.00 0.00 H new ATOM 1818 N ILE A 119 10.185 14.999 -1.637 1.00 0.00 N ATOM 1819 CA ILE A 119 10.789 16.311 -1.441 1.00 0.00 C ATOM 1820 C ILE A 119 11.978 16.514 -2.375 1.00 0.00 C ATOM 1821 O ILE A 119 12.703 15.570 -2.687 1.00 0.00 O ATOM 1822 CB ILE A 119 11.255 16.505 0.014 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.094 15.308 0.467 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.057 16.698 0.932 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.581 15.504 0.273 1.00 0.00 C ATOM 0 H ILE A 119 10.854 14.246 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 119 10.020 17.049 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 119 11.875 17.400 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.896 15.114 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.777 14.423 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.402 16.834 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.496 17.578 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.413 15.820 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.113 14.616 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.792 15.668 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.912 16.369 0.847 1.00 0.00 H new ATOM 1837 N ASP A 120 12.171 17.752 -2.817 1.00 0.00 N ATOM 1838 CA ASP A 120 13.274 18.081 -3.713 1.00 0.00 C ATOM 1839 C ASP A 120 14.592 18.153 -2.948 1.00 0.00 C ATOM 1840 O ASP A 120 14.724 18.914 -1.990 1.00 0.00 O ATOM 1841 CB ASP A 120 13.006 19.410 -4.419 1.00 0.00 C ATOM 1842 CG ASP A 120 14.062 19.738 -5.456 1.00 0.00 C ATOM 1843 OD1 ASP A 120 13.981 19.196 -6.579 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.970 20.537 -5.146 1.00 0.00 O ATOM 0 H ASP A 120 11.578 18.544 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 120 13.351 17.291 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.028 19.372 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.967 20.210 -3.679 1.00 0.00 H new ATOM 1849 N MET A 121 15.564 17.355 -3.378 1.00 0.00 N ATOM 1850 CA MET A 121 16.872 17.329 -2.734 1.00 0.00 C ATOM 1851 C MET A 121 17.933 17.957 -3.633 1.00 0.00 C ATOM 1852 O MET A 121 19.130 17.757 -3.428 1.00 0.00 O ATOM 1853 CB MET A 121 17.265 15.892 -2.388 1.00 0.00 C ATOM 1854 CG MET A 121 16.408 15.274 -1.295 1.00 0.00 C ATOM 1855 SD MET A 121 16.974 15.708 0.361 1.00 0.00 S ATOM 1856 CE MET A 121 18.037 14.315 0.731 1.00 0.00 C ATOM 0 H MET A 121 15.471 16.718 -4.169 1.00 0.00 H new ATOM 0 HA MET A 121 16.809 17.912 -1.815 1.00 0.00 H new ATOM 0 HB2 MET A 121 17.193 15.278 -3.286 1.00 0.00 H new ATOM 0 HB3 MET A 121 18.308 15.875 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 121 15.376 15.602 -1.419 1.00 0.00 H new ATOM 0 HG3 MET A 121 16.414 14.189 -1.404 1.00 0.00 H new ATOM 0 HE1 MET A 121 18.464 14.438 1.726 1.00 0.00 H new ATOM 0 HE2 MET A 121 17.455 13.394 0.697 1.00 0.00 H new ATOM 0 HE3 MET A 121 18.840 14.264 -0.005 1.00 0.00 H new ATOM 1866 N ASN A 122 17.486 18.715 -4.629 1.00 0.00 N ATOM 1867 CA ASN A 122 18.398 19.370 -5.559 1.00 0.00 C ATOM 1868 C ASN A 122 18.511 20.860 -5.251 1.00 0.00 C ATOM 1869 O ASN A 122 19.239 21.590 -5.924 1.00 0.00 O ATOM 1870 CB ASN A 122 17.921 19.171 -6.999 1.00 0.00 C ATOM 1871 CG ASN A 122 17.974 17.718 -7.430 1.00 0.00 C ATOM 1872 OD1 ASN A 122 17.727 17.471 -8.711 1.00 0.00 O flip ATOM 1873 ND2 ASN A 122 18.234 16.828 -6.620 1.00 0.00 N flip ATOM 0 H ASN A 122 16.498 18.891 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 122 19.383 18.917 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 122 16.899 19.538 -7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 122 18.539 19.769 -7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 122 18.417 17.064 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 122 18.266 15.855 -6.924 1.00 0.00 H new TER 1880 ASN A 122