USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 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 43 THR OG1 : rot -73:sc= 1.57 USER MOD Set 1.2: A 47 THR OG1 : rot 29:sc= 0.36 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0672 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -23:sc= -0.473! USER MOD Single : A 12 TYR OH : rot 165:sc= -0.967 USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= 0.474 (180deg=0.0881) USER MOD Single : A 19 GLN : amide:sc= -0.0185 K(o=-0.018,f=-0.75) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 27 THR OG1 : rot 77:sc= 1.33 USER MOD Single : A 28 GLN : amide:sc= -2.78 K(o=-2.8,f=-3.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0.548 (180deg=0.0453) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 42 ASN : amide:sc= 0.249 K(o=0.25,f=-4.7!) USER MOD Single : A 49 GLN : amide:sc= -0.8 K(o=-0.8,f=-3.9!) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.13 (180deg=0.391) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -107:sc= -5.93! (180deg=-8.57!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.836 F(o=-2,f=-0.84) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 96:sc= 0.789 USER MOD Single : A 74 SER OG : rot 160:sc= -1.01 USER MOD Single : A 75 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.78) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.289 (180deg=-1.34) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.223 (180deg=-0.81) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 63:sc= 0.206 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.457 K(o=-0.46,f=-2.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.801 -3.664 -9.346 1.00 4.03 N ATOM 2 CA GLY A 1 -5.870 -3.832 -8.245 1.00 34.35 C ATOM 3 C GLY A 1 -4.471 -4.174 -8.715 1.00 45.51 C ATOM 4 O GLY A 1 -4.278 -4.604 -9.852 1.00 33.12 O ATOM 0 H1 GLY A 1 -6.997 -2.652 -9.483 1.00 4.03 H new ATOM 0 H2 GLY A 1 -6.386 -4.057 -10.215 1.00 4.03 H new ATOM 0 H3 GLY A 1 -7.688 -4.163 -9.130 1.00 4.03 H new ATOM 0 HA2 GLY A 1 -5.838 -2.915 -7.657 1.00 34.35 H new ATOM 0 HA3 GLY A 1 -6.231 -4.621 -7.585 1.00 34.35 H new ATOM 8 N ALA A 2 -3.490 -3.979 -7.839 1.00 62.44 N ATOM 9 CA ALA A 2 -2.101 -4.270 -8.172 1.00 4.05 C ATOM 10 C ALA A 2 -1.787 -5.749 -7.973 1.00 45.12 C ATOM 11 O ALA A 2 -2.632 -6.515 -7.512 1.00 25.30 O ATOM 12 CB ALA A 2 -1.167 -3.413 -7.330 1.00 45.44 C ATOM 0 H ALA A 2 -3.632 -3.621 -6.894 1.00 62.44 H new ATOM 0 HA ALA A 2 -1.947 -4.031 -9.224 1.00 4.05 H new ATOM 0 HB1 ALA A 2 -0.133 -3.640 -7.589 1.00 45.44 H new ATOM 0 HB2 ALA A 2 -1.366 -2.359 -7.524 1.00 45.44 H new ATOM 0 HB3 ALA A 2 -1.332 -3.625 -6.274 1.00 45.44 H new ATOM 18 N GLU A 3 -0.567 -6.143 -8.325 1.00 45.43 N ATOM 19 CA GLU A 3 -0.143 -7.531 -8.187 1.00 1.02 C ATOM 20 C GLU A 3 0.997 -7.654 -7.180 1.00 32.15 C ATOM 21 O GLU A 3 0.868 -8.329 -6.159 1.00 53.01 O ATOM 22 CB GLU A 3 0.296 -8.091 -9.541 1.00 63.03 C ATOM 23 CG GLU A 3 -0.785 -8.024 -10.607 1.00 63.10 C ATOM 24 CD GLU A 3 -0.356 -8.663 -11.914 1.00 32.34 C ATOM 25 OE1 GLU A 3 0.404 -9.653 -11.868 1.00 32.33 O ATOM 26 OE2 GLU A 3 -0.780 -8.174 -12.981 1.00 52.03 O ATOM 0 H GLU A 3 0.145 -5.521 -8.708 1.00 45.43 H new ATOM 0 HA GLU A 3 -0.992 -8.108 -7.821 1.00 1.02 H new ATOM 0 HB2 GLU A 3 1.170 -7.539 -9.887 1.00 63.03 H new ATOM 0 HB3 GLU A 3 0.604 -9.129 -9.413 1.00 63.03 H new ATOM 0 HG2 GLU A 3 -1.683 -8.522 -10.241 1.00 63.10 H new ATOM 0 HG3 GLU A 3 -1.049 -6.982 -10.786 1.00 63.10 H new ATOM 33 N GLY A 4 2.114 -6.997 -7.475 1.00 41.43 N ATOM 34 CA GLY A 4 3.261 -7.045 -6.587 1.00 72.42 C ATOM 35 C GLY A 4 4.577 -6.995 -7.337 1.00 2.41 C ATOM 36 O GLY A 4 5.437 -6.167 -7.039 1.00 40.32 O ATOM 0 H GLY A 4 2.245 -6.432 -8.314 1.00 41.43 H new ATOM 0 HA2 GLY A 4 3.212 -6.209 -5.889 1.00 72.42 H new ATOM 0 HA3 GLY A 4 3.219 -7.958 -5.993 1.00 72.42 H new ATOM 40 N ASN A 5 4.736 -7.884 -8.312 1.00 11.02 N ATOM 41 CA ASN A 5 5.959 -7.939 -9.105 1.00 14.50 C ATOM 42 C ASN A 5 5.796 -8.884 -10.291 1.00 54.24 C ATOM 43 O ASN A 5 5.564 -10.081 -10.119 1.00 53.01 O ATOM 44 CB ASN A 5 7.135 -8.390 -8.237 1.00 12.13 C ATOM 45 CG ASN A 5 8.411 -8.564 -9.037 1.00 40.31 C ATOM 46 OD1 ASN A 5 8.714 -7.766 -9.924 1.00 51.15 O ATOM 47 ND2 ASN A 5 9.166 -9.611 -8.726 1.00 42.13 N ATOM 0 H ASN A 5 4.033 -8.576 -8.572 1.00 11.02 H new ATOM 0 HA ASN A 5 6.161 -6.938 -9.486 1.00 14.50 H new ATOM 0 HB2 ASN A 5 7.302 -7.658 -7.447 1.00 12.13 H new ATOM 0 HB3 ASN A 5 6.883 -9.332 -7.750 1.00 12.13 H new ATOM 0 HD21 ASN A 5 10.037 -9.780 -9.230 1.00 42.13 H new ATOM 0 HD22 ASN A 5 8.875 -10.247 -7.983 1.00 42.13 H new ATOM 54 N THR A 6 5.919 -8.338 -11.497 1.00 62.04 N ATOM 55 CA THR A 6 5.785 -9.131 -12.713 1.00 23.34 C ATOM 56 C THR A 6 7.060 -9.078 -13.547 1.00 53.23 C ATOM 57 O THR A 6 7.357 -8.065 -14.182 1.00 13.54 O ATOM 58 CB THR A 6 4.602 -8.647 -13.572 1.00 32.52 C ATOM 59 OG1 THR A 6 3.566 -8.128 -12.731 1.00 32.24 O ATOM 60 CG2 THR A 6 4.051 -9.782 -14.422 1.00 32.21 C ATOM 0 H THR A 6 6.111 -7.349 -11.658 1.00 62.04 H new ATOM 0 HA THR A 6 5.601 -10.159 -12.401 1.00 23.34 H new ATOM 0 HB THR A 6 4.961 -7.859 -14.234 1.00 32.52 H new ATOM 0 HG1 THR A 6 2.818 -7.821 -13.285 1.00 32.24 H new ATOM 0 HG21 THR A 6 3.216 -9.417 -15.020 1.00 32.21 H new ATOM 0 HG22 THR A 6 4.834 -10.156 -15.082 1.00 32.21 H new ATOM 0 HG23 THR A 6 3.707 -10.588 -13.774 1.00 32.21 H new ATOM 68 N LEU A 7 7.810 -10.174 -13.544 1.00 31.11 N ATOM 69 CA LEU A 7 9.054 -10.253 -14.302 1.00 54.52 C ATOM 70 C LEU A 7 8.825 -10.917 -15.656 1.00 51.53 C ATOM 71 O LEU A 7 8.037 -11.856 -15.773 1.00 4.04 O ATOM 72 CB LEU A 7 10.108 -11.030 -13.512 1.00 12.21 C ATOM 73 CG LEU A 7 10.642 -10.346 -12.253 1.00 11.02 C ATOM 74 CD1 LEU A 7 11.316 -11.359 -11.340 1.00 52.13 C ATOM 75 CD2 LEU A 7 11.609 -9.231 -12.621 1.00 45.23 C ATOM 0 H LEU A 7 7.578 -11.021 -13.025 1.00 31.11 H new ATOM 0 HA LEU A 7 9.412 -9.238 -14.472 1.00 54.52 H new ATOM 0 HB2 LEU A 7 9.683 -11.992 -13.226 1.00 12.21 H new ATOM 0 HB3 LEU A 7 10.949 -11.237 -14.173 1.00 12.21 H new ATOM 0 HG LEU A 7 9.801 -9.907 -11.717 1.00 11.02 H new ATOM 0 HD11 LEU A 7 11.690 -10.854 -10.449 1.00 52.13 H new ATOM 0 HD12 LEU A 7 10.595 -12.122 -11.048 1.00 52.13 H new ATOM 0 HD13 LEU A 7 12.147 -11.827 -11.867 1.00 52.13 H new ATOM 0 HD21 LEU A 7 11.979 -8.756 -11.713 1.00 45.23 H new ATOM 0 HD22 LEU A 7 12.447 -9.646 -13.180 1.00 45.23 H new ATOM 0 HD23 LEU A 7 11.095 -8.491 -13.234 1.00 45.23 H new ATOM 87 N ILE A 8 9.519 -10.424 -16.676 1.00 45.50 N ATOM 88 CA ILE A 8 9.394 -10.971 -18.021 1.00 23.41 C ATOM 89 C ILE A 8 10.733 -10.947 -18.751 1.00 73.03 C ATOM 90 O ILE A 8 11.755 -10.566 -18.182 1.00 42.40 O ATOM 91 CB ILE A 8 8.355 -10.195 -18.851 1.00 1.42 C ATOM 92 CG1 ILE A 8 8.770 -8.728 -18.984 1.00 61.04 C ATOM 93 CG2 ILE A 8 6.978 -10.305 -18.213 1.00 62.21 C ATOM 94 CD1 ILE A 8 7.976 -7.968 -20.023 1.00 51.42 C ATOM 0 H ILE A 8 10.174 -9.646 -16.596 1.00 45.50 H new ATOM 0 HA ILE A 8 9.061 -12.003 -17.912 1.00 23.41 H new ATOM 0 HB ILE A 8 8.308 -10.632 -19.848 1.00 1.42 H new ATOM 0 HG12 ILE A 8 8.653 -8.237 -18.018 1.00 61.04 H new ATOM 0 HG13 ILE A 8 9.828 -8.680 -19.240 1.00 61.04 H new ATOM 0 HG21 ILE A 8 6.254 -9.751 -18.811 1.00 62.21 H new ATOM 0 HG22 ILE A 8 6.682 -11.353 -18.164 1.00 62.21 H new ATOM 0 HG23 ILE A 8 7.009 -9.890 -17.206 1.00 62.21 H new ATOM 0 HD11 ILE A 8 8.324 -6.936 -20.063 1.00 51.42 H new ATOM 0 HD12 ILE A 8 8.112 -8.435 -20.998 1.00 51.42 H new ATOM 0 HD13 ILE A 8 6.919 -7.985 -19.757 1.00 51.42 H new ATOM 106 N SER A 9 10.718 -11.355 -20.016 1.00 71.12 N ATOM 107 CA SER A 9 11.931 -11.382 -20.825 1.00 31.01 C ATOM 108 C SER A 9 11.592 -11.422 -22.312 1.00 12.31 C ATOM 109 O SER A 9 11.139 -12.442 -22.830 1.00 70.42 O ATOM 110 CB SER A 9 12.790 -12.592 -20.454 1.00 31.43 C ATOM 111 OG SER A 9 11.986 -13.735 -20.216 1.00 52.22 O ATOM 0 H SER A 9 9.879 -11.671 -20.503 1.00 71.12 H new ATOM 0 HA SER A 9 12.493 -10.470 -20.623 1.00 31.01 H new ATOM 0 HB2 SER A 9 13.496 -12.801 -21.258 1.00 31.43 H new ATOM 0 HB3 SER A 9 13.378 -12.366 -19.565 1.00 31.43 H new ATOM 0 HG SER A 9 11.077 -13.453 -19.981 1.00 52.22 H new ATOM 117 N VAL A 10 11.814 -10.302 -22.993 1.00 63.23 N ATOM 118 CA VAL A 10 11.534 -10.208 -24.421 1.00 12.41 C ATOM 119 C VAL A 10 12.802 -9.907 -25.211 1.00 63.44 C ATOM 120 O VAL A 10 13.591 -9.041 -24.834 1.00 1.14 O ATOM 121 CB VAL A 10 10.488 -9.116 -24.716 1.00 73.43 C ATOM 122 CG1 VAL A 10 11.014 -7.748 -24.312 1.00 23.03 C ATOM 123 CG2 VAL A 10 10.101 -9.134 -26.187 1.00 73.34 C ATOM 0 H VAL A 10 12.187 -9.448 -22.579 1.00 63.23 H new ATOM 0 HA VAL A 10 11.138 -11.175 -24.730 1.00 12.41 H new ATOM 0 HB VAL A 10 9.596 -9.324 -24.126 1.00 73.43 H new ATOM 0 HG11 VAL A 10 10.261 -6.990 -24.528 1.00 23.03 H new ATOM 0 HG12 VAL A 10 11.237 -7.744 -23.245 1.00 23.03 H new ATOM 0 HG13 VAL A 10 11.922 -7.527 -24.873 1.00 23.03 H new ATOM 0 HG21 VAL A 10 9.361 -8.356 -26.378 1.00 73.34 H new ATOM 0 HG22 VAL A 10 10.985 -8.952 -26.798 1.00 73.34 H new ATOM 0 HG23 VAL A 10 9.679 -10.106 -26.440 1.00 73.34 H new ATOM 133 N ASP A 11 12.992 -10.629 -26.311 1.00 3.24 N ATOM 134 CA ASP A 11 14.165 -10.439 -27.157 1.00 12.04 C ATOM 135 C ASP A 11 13.754 -10.106 -28.588 1.00 23.43 C ATOM 136 O ASP A 11 12.879 -10.756 -29.160 1.00 52.00 O ATOM 137 CB ASP A 11 15.039 -11.694 -27.142 1.00 40.13 C ATOM 138 CG ASP A 11 14.499 -12.786 -28.045 1.00 45.32 C ATOM 139 OD1 ASP A 11 13.310 -13.139 -27.903 1.00 70.45 O ATOM 140 OD2 ASP A 11 15.266 -13.286 -28.894 1.00 44.00 O ATOM 0 H ASP A 11 12.349 -11.351 -26.637 1.00 3.24 H new ATOM 0 HA ASP A 11 14.739 -9.602 -26.759 1.00 12.04 H new ATOM 0 HB2 ASP A 11 16.050 -11.433 -27.456 1.00 40.13 H new ATOM 0 HB3 ASP A 11 15.110 -12.072 -26.122 1.00 40.13 H new ATOM 145 N TYR A 12 14.391 -9.090 -29.159 1.00 62.53 N ATOM 146 CA TYR A 12 14.090 -8.669 -30.522 1.00 72.13 C ATOM 147 C TYR A 12 15.278 -7.940 -31.142 1.00 52.23 C ATOM 148 O TYR A 12 16.253 -7.628 -30.460 1.00 22.52 O ATOM 149 CB TYR A 12 12.857 -7.764 -30.538 1.00 11.02 C ATOM 150 CG TYR A 12 12.865 -6.711 -29.453 1.00 31.14 C ATOM 151 CD1 TYR A 12 13.858 -5.740 -29.407 1.00 54.24 C ATOM 152 CD2 TYR A 12 11.881 -6.688 -28.472 1.00 71.10 C ATOM 153 CE1 TYR A 12 13.870 -4.776 -28.417 1.00 75.34 C ATOM 154 CE2 TYR A 12 11.884 -5.728 -27.479 1.00 41.53 C ATOM 155 CZ TYR A 12 12.880 -4.774 -27.456 1.00 65.01 C ATOM 156 OH TYR A 12 12.888 -3.816 -26.468 1.00 30.31 O ATOM 0 H TYR A 12 15.119 -8.543 -28.699 1.00 62.53 H new ATOM 0 HA TYR A 12 13.885 -9.561 -31.114 1.00 72.13 H new ATOM 0 HB2 TYR A 12 12.790 -7.273 -31.509 1.00 11.02 H new ATOM 0 HB3 TYR A 12 11.964 -8.379 -30.429 1.00 11.02 H new ATOM 0 HD1 TYR A 12 14.634 -5.739 -30.158 1.00 54.24 H new ATOM 0 HD2 TYR A 12 11.100 -7.434 -28.486 1.00 71.10 H new ATOM 0 HE1 TYR A 12 14.649 -4.029 -28.396 1.00 75.34 H new ATOM 0 HE2 TYR A 12 11.111 -5.724 -26.725 1.00 41.53 H new ATOM 0 HH TYR A 12 12.016 -3.800 -26.021 1.00 30.31 H new ATOM 166 N GLU A 13 15.186 -7.670 -32.441 1.00 24.41 N ATOM 167 CA GLU A 13 16.253 -6.978 -33.154 1.00 4.13 C ATOM 168 C GLU A 13 15.778 -5.618 -33.657 1.00 2.24 C ATOM 169 O GLU A 13 15.304 -5.493 -34.786 1.00 64.13 O ATOM 170 CB GLU A 13 16.745 -7.825 -34.329 1.00 63.10 C ATOM 171 CG GLU A 13 15.624 -8.369 -35.198 1.00 62.24 C ATOM 172 CD GLU A 13 15.186 -9.760 -34.782 1.00 53.11 C ATOM 173 OE1 GLU A 13 16.046 -10.664 -34.731 1.00 51.54 O ATOM 174 OE2 GLU A 13 13.981 -9.944 -34.507 1.00 5.12 O ATOM 0 H GLU A 13 14.384 -7.920 -33.020 1.00 24.41 H new ATOM 0 HA GLU A 13 17.077 -6.821 -32.458 1.00 4.13 H new ATOM 0 HB2 GLU A 13 17.412 -7.223 -34.946 1.00 63.10 H new ATOM 0 HB3 GLU A 13 17.332 -8.659 -33.944 1.00 63.10 H new ATOM 0 HG2 GLU A 13 14.770 -7.693 -35.148 1.00 62.24 H new ATOM 0 HG3 GLU A 13 15.953 -8.391 -36.237 1.00 62.24 H new ATOM 181 N ILE A 14 15.908 -4.602 -32.810 1.00 20.22 N ATOM 182 CA ILE A 14 15.493 -3.252 -33.168 1.00 13.30 C ATOM 183 C ILE A 14 16.097 -2.826 -34.502 1.00 31.31 C ATOM 184 O ILE A 14 17.235 -3.174 -34.819 1.00 53.33 O ATOM 185 CB ILE A 14 15.897 -2.233 -32.086 1.00 52.20 C ATOM 186 CG1 ILE A 14 15.244 -2.590 -30.749 1.00 25.20 C ATOM 187 CG2 ILE A 14 15.507 -0.825 -32.512 1.00 63.22 C ATOM 188 CD1 ILE A 14 13.735 -2.662 -30.813 1.00 51.21 C ATOM 0 H ILE A 14 16.297 -4.689 -31.871 1.00 20.22 H new ATOM 0 HA ILE A 14 14.406 -3.269 -33.253 1.00 13.30 H new ATOM 0 HB ILE A 14 16.979 -2.268 -31.962 1.00 52.20 H new ATOM 0 HG12 ILE A 14 15.631 -3.551 -30.410 1.00 25.20 H new ATOM 0 HG13 ILE A 14 15.533 -1.849 -30.004 1.00 25.20 H new ATOM 0 HG21 ILE A 14 15.799 -0.116 -31.737 1.00 63.22 H new ATOM 0 HG22 ILE A 14 16.014 -0.573 -33.444 1.00 63.22 H new ATOM 0 HG23 ILE A 14 14.428 -0.776 -32.661 1.00 63.22 H new ATOM 0 HD11 ILE A 14 13.341 -2.920 -29.830 1.00 51.21 H new ATOM 0 HD12 ILE A 14 13.337 -1.695 -31.121 1.00 51.21 H new ATOM 0 HD13 ILE A 14 13.437 -3.423 -31.534 1.00 51.21 H new ATOM 200 N PHE A 15 15.328 -2.071 -35.279 1.00 44.42 N ATOM 201 CA PHE A 15 15.788 -1.596 -36.579 1.00 72.34 C ATOM 202 C PHE A 15 16.269 -0.151 -36.492 1.00 4.01 C ATOM 203 O PHE A 15 16.413 0.402 -35.402 1.00 43.15 O ATOM 204 CB PHE A 15 14.666 -1.710 -37.613 1.00 74.12 C ATOM 205 CG PHE A 15 13.906 -3.003 -37.533 1.00 72.21 C ATOM 206 CD1 PHE A 15 14.576 -4.216 -37.516 1.00 11.15 C ATOM 207 CD2 PHE A 15 12.521 -3.006 -37.475 1.00 25.21 C ATOM 208 CE1 PHE A 15 13.879 -5.407 -37.443 1.00 30.13 C ATOM 209 CE2 PHE A 15 11.819 -4.194 -37.401 1.00 61.45 C ATOM 210 CZ PHE A 15 12.499 -5.396 -37.384 1.00 70.43 C ATOM 0 H PHE A 15 14.384 -1.775 -35.031 1.00 44.42 H new ATOM 0 HA PHE A 15 16.625 -2.221 -36.890 1.00 72.34 H new ATOM 0 HB2 PHE A 15 13.972 -0.881 -37.477 1.00 74.12 H new ATOM 0 HB3 PHE A 15 15.091 -1.609 -38.611 1.00 74.12 H new ATOM 0 HD1 PHE A 15 15.655 -4.231 -37.560 1.00 11.15 H new ATOM 0 HD2 PHE A 15 11.984 -2.069 -37.488 1.00 25.21 H new ATOM 0 HE1 PHE A 15 14.413 -6.346 -37.432 1.00 30.13 H new ATOM 0 HE2 PHE A 15 10.740 -4.183 -37.357 1.00 61.45 H new ATOM 0 HZ PHE A 15 11.953 -6.326 -37.325 1.00 70.43 H new ATOM 220 N GLY A 16 16.518 0.455 -37.649 1.00 55.11 N ATOM 221 CA GLY A 16 16.981 1.830 -37.682 1.00 71.11 C ATOM 222 C GLY A 16 18.419 1.946 -38.146 1.00 63.00 C ATOM 223 O GLY A 16 19.071 0.941 -38.432 1.00 12.12 O ATOM 0 H GLY A 16 16.407 0.018 -38.564 1.00 55.11 H new ATOM 0 HA2 GLY A 16 16.340 2.410 -38.346 1.00 71.11 H new ATOM 0 HA3 GLY A 16 16.887 2.266 -36.687 1.00 71.11 H new ATOM 227 N LYS A 17 18.917 3.176 -38.223 1.00 60.52 N ATOM 228 CA LYS A 17 20.287 3.421 -38.656 1.00 65.12 C ATOM 229 C LYS A 17 21.263 3.254 -37.495 1.00 50.25 C ATOM 230 O LYS A 17 21.948 4.200 -37.107 1.00 3.14 O ATOM 231 CB LYS A 17 20.414 4.828 -39.245 1.00 0.05 C ATOM 232 CG LYS A 17 19.911 5.922 -38.319 1.00 34.12 C ATOM 233 CD LYS A 17 20.480 7.279 -38.698 1.00 34.12 C ATOM 234 CE LYS A 17 21.967 7.365 -38.392 1.00 20.35 C ATOM 235 NZ LYS A 17 22.461 8.769 -38.431 1.00 64.14 N ATOM 0 H LYS A 17 18.391 4.019 -37.991 1.00 60.52 H new ATOM 0 HA LYS A 17 20.535 2.689 -39.424 1.00 65.12 H new ATOM 0 HB2 LYS A 17 21.460 5.019 -39.485 1.00 0.05 H new ATOM 0 HB3 LYS A 17 19.858 4.872 -40.182 1.00 0.05 H new ATOM 0 HG2 LYS A 17 18.822 5.960 -38.357 1.00 34.12 H new ATOM 0 HG3 LYS A 17 20.186 5.685 -37.291 1.00 34.12 H new ATOM 0 HD2 LYS A 17 20.315 7.460 -39.760 1.00 34.12 H new ATOM 0 HD3 LYS A 17 19.950 8.062 -38.155 1.00 34.12 H new ATOM 0 HE2 LYS A 17 22.160 6.939 -37.407 1.00 20.35 H new ATOM 0 HE3 LYS A 17 22.522 6.765 -39.113 1.00 20.35 H new ATOM 0 HZ1 LYS A 17 23.443 8.782 -38.773 1.00 64.14 H new ATOM 0 HZ2 LYS A 17 21.864 9.330 -39.072 1.00 64.14 H new ATOM 0 HZ3 LYS A 17 22.422 9.177 -37.475 1.00 64.14 H new ATOM 249 N VAL A 18 21.322 2.045 -36.947 1.00 34.14 N ATOM 250 CA VAL A 18 22.215 1.754 -35.832 1.00 63.31 C ATOM 251 C VAL A 18 23.486 1.062 -36.313 1.00 2.42 C ATOM 252 O VAL A 18 24.119 0.317 -35.565 1.00 41.34 O ATOM 253 CB VAL A 18 21.528 0.865 -34.779 1.00 34.03 C ATOM 254 CG1 VAL A 18 20.340 1.588 -34.163 1.00 12.43 C ATOM 255 CG2 VAL A 18 21.096 -0.456 -35.397 1.00 33.11 C ATOM 0 H VAL A 18 20.762 1.251 -37.257 1.00 34.14 H new ATOM 0 HA VAL A 18 22.474 2.710 -35.376 1.00 63.31 H new ATOM 0 HB VAL A 18 22.245 0.652 -33.986 1.00 34.03 H new ATOM 0 HG11 VAL A 18 19.867 0.944 -33.421 1.00 12.43 H new ATOM 0 HG12 VAL A 18 20.681 2.505 -33.683 1.00 12.43 H new ATOM 0 HG13 VAL A 18 19.619 1.833 -34.943 1.00 12.43 H new ATOM 0 HG21 VAL A 18 20.612 -1.072 -34.639 1.00 33.11 H new ATOM 0 HG22 VAL A 18 20.396 -0.265 -36.210 1.00 33.11 H new ATOM 0 HG23 VAL A 18 21.970 -0.979 -35.786 1.00 33.11 H new ATOM 265 N GLN A 19 23.853 1.315 -37.565 1.00 4.31 N ATOM 266 CA GLN A 19 25.049 0.717 -38.145 1.00 64.44 C ATOM 267 C GLN A 19 26.303 1.457 -37.693 1.00 5.21 C ATOM 268 O GLN A 19 27.060 0.965 -36.857 1.00 35.15 O ATOM 269 CB GLN A 19 24.960 0.726 -39.672 1.00 63.05 C ATOM 270 CG GLN A 19 23.807 -0.099 -40.220 1.00 31.33 C ATOM 271 CD GLN A 19 23.385 0.337 -41.609 1.00 32.21 C ATOM 272 OE1 GLN A 19 24.111 1.059 -42.293 1.00 33.12 O ATOM 273 NE2 GLN A 19 22.205 -0.101 -42.034 1.00 44.22 N ATOM 0 H GLN A 19 23.340 1.930 -38.197 1.00 4.31 H new ATOM 0 HA GLN A 19 25.113 -0.314 -37.797 1.00 64.44 H new ATOM 0 HB2 GLN A 19 24.855 1.755 -40.015 1.00 63.05 H new ATOM 0 HB3 GLN A 19 25.895 0.347 -40.084 1.00 63.05 H new ATOM 0 HG2 GLN A 19 24.097 -1.149 -40.246 1.00 31.33 H new ATOM 0 HG3 GLN A 19 22.955 -0.020 -39.544 1.00 31.33 H new ATOM 0 HE21 GLN A 19 21.636 -0.698 -41.433 1.00 44.22 H new ATOM 0 HE22 GLN A 19 21.868 0.159 -42.961 1.00 44.22 H new ATOM 282 N GLY A 20 26.518 2.644 -38.252 1.00 44.24 N ATOM 283 CA GLY A 20 27.682 3.433 -37.894 1.00 44.32 C ATOM 284 C GLY A 20 27.427 4.336 -36.704 1.00 12.31 C ATOM 285 O GLY A 20 27.695 5.537 -36.757 1.00 22.41 O ATOM 0 H GLY A 20 25.907 3.073 -38.947 1.00 44.24 H new ATOM 0 HA2 GLY A 20 28.514 2.766 -37.668 1.00 44.32 H new ATOM 0 HA3 GLY A 20 27.983 4.039 -38.748 1.00 44.32 H new ATOM 289 N VAL A 21 26.904 3.759 -35.626 1.00 45.14 N ATOM 290 CA VAL A 21 26.612 4.520 -34.418 1.00 34.14 C ATOM 291 C VAL A 21 26.862 3.684 -33.168 1.00 22.43 C ATOM 292 O VAL A 21 26.485 2.513 -33.105 1.00 4.11 O ATOM 293 CB VAL A 21 25.154 5.016 -34.406 1.00 55.12 C ATOM 294 CG1 VAL A 21 24.859 5.779 -33.124 1.00 0.13 C ATOM 295 CG2 VAL A 21 24.876 5.881 -35.627 1.00 31.25 C ATOM 0 H VAL A 21 26.674 2.767 -35.565 1.00 45.14 H new ATOM 0 HA VAL A 21 27.281 5.380 -34.417 1.00 34.14 H new ATOM 0 HB VAL A 21 24.494 4.150 -34.444 1.00 55.12 H new ATOM 0 HG11 VAL A 21 23.824 6.121 -33.134 1.00 0.13 H new ATOM 0 HG12 VAL A 21 25.016 5.124 -32.267 1.00 0.13 H new ATOM 0 HG13 VAL A 21 25.525 6.639 -33.051 1.00 0.13 H new ATOM 0 HG21 VAL A 21 23.841 6.223 -35.603 1.00 31.25 H new ATOM 0 HG22 VAL A 21 25.543 6.743 -35.622 1.00 31.25 H new ATOM 0 HG23 VAL A 21 25.044 5.297 -36.532 1.00 31.25 H new ATOM 305 N PHE A 22 27.500 4.292 -32.173 1.00 43.15 N ATOM 306 CA PHE A 22 27.802 3.604 -30.924 1.00 21.41 C ATOM 307 C PHE A 22 26.585 3.588 -30.004 1.00 0.23 C ATOM 308 O PHE A 22 26.641 4.073 -28.873 1.00 63.32 O ATOM 309 CB PHE A 22 28.981 4.277 -30.218 1.00 31.31 C ATOM 310 CG PHE A 22 30.316 3.920 -30.807 1.00 33.30 C ATOM 311 CD1 PHE A 22 30.708 2.595 -30.915 1.00 4.45 C ATOM 312 CD2 PHE A 22 31.178 4.909 -31.253 1.00 32.43 C ATOM 313 CE1 PHE A 22 31.936 2.263 -31.456 1.00 51.35 C ATOM 314 CE2 PHE A 22 32.406 4.583 -31.796 1.00 21.41 C ATOM 315 CZ PHE A 22 32.786 3.259 -31.897 1.00 22.53 C ATOM 0 H PHE A 22 27.818 5.261 -32.208 1.00 43.15 H new ATOM 0 HA PHE A 22 28.070 2.574 -31.161 1.00 21.41 H new ATOM 0 HB2 PHE A 22 28.851 5.358 -30.262 1.00 31.31 H new ATOM 0 HB3 PHE A 22 28.971 3.997 -29.165 1.00 31.31 H new ATOM 0 HD1 PHE A 22 30.046 1.813 -30.573 1.00 4.45 H new ATOM 0 HD2 PHE A 22 30.887 5.946 -31.175 1.00 32.43 H new ATOM 0 HE1 PHE A 22 32.230 1.227 -31.534 1.00 51.35 H new ATOM 0 HE2 PHE A 22 33.068 5.363 -32.141 1.00 21.41 H new ATOM 0 HZ PHE A 22 33.746 3.003 -32.320 1.00 22.53 H new ATOM 325 N PHE A 23 25.485 3.029 -30.497 1.00 20.23 N ATOM 326 CA PHE A 23 24.253 2.951 -29.720 1.00 40.25 C ATOM 327 C PHE A 23 24.377 1.917 -28.605 1.00 41.12 C ATOM 328 O PHE A 23 23.763 2.053 -27.547 1.00 0.21 O ATOM 329 CB PHE A 23 23.074 2.598 -30.629 1.00 52.45 C ATOM 330 CG PHE A 23 21.737 2.747 -29.962 1.00 33.24 C ATOM 331 CD1 PHE A 23 21.445 3.872 -29.207 1.00 65.21 C ATOM 332 CD2 PHE A 23 20.771 1.762 -30.089 1.00 31.54 C ATOM 333 CE1 PHE A 23 20.216 4.010 -28.591 1.00 2.32 C ATOM 334 CE2 PHE A 23 19.540 1.895 -29.475 1.00 35.30 C ATOM 335 CZ PHE A 23 19.262 3.021 -28.726 1.00 14.20 C ATOM 0 H PHE A 23 25.421 2.623 -31.431 1.00 20.23 H new ATOM 0 HA PHE A 23 24.076 3.927 -29.268 1.00 40.25 H new ATOM 0 HB2 PHE A 23 23.103 3.236 -31.513 1.00 52.45 H new ATOM 0 HB3 PHE A 23 23.186 1.570 -30.974 1.00 52.45 H new ATOM 0 HD1 PHE A 23 22.187 4.650 -29.099 1.00 65.21 H new ATOM 0 HD2 PHE A 23 20.982 0.880 -30.675 1.00 31.54 H new ATOM 0 HE1 PHE A 23 20.002 4.891 -28.004 1.00 2.32 H new ATOM 0 HE2 PHE A 23 18.796 1.119 -29.581 1.00 35.30 H new ATOM 0 HZ PHE A 23 18.300 3.128 -28.247 1.00 14.20 H new ATOM 345 N ARG A 24 25.175 0.883 -28.851 1.00 44.41 N ATOM 346 CA ARG A 24 25.379 -0.175 -27.869 1.00 41.04 C ATOM 347 C ARG A 24 25.827 0.404 -26.531 1.00 0.24 C ATOM 348 O ARG A 24 25.342 0.000 -25.473 1.00 42.24 O ATOM 349 CB ARG A 24 26.418 -1.177 -28.377 1.00 34.34 C ATOM 350 CG ARG A 24 26.519 -2.432 -27.525 1.00 64.32 C ATOM 351 CD ARG A 24 27.252 -3.545 -28.258 1.00 43.23 C ATOM 352 NE ARG A 24 28.701 -3.371 -28.208 1.00 65.32 N ATOM 353 CZ ARG A 24 29.560 -4.177 -28.824 1.00 12.31 C ATOM 354 NH1 ARG A 24 29.117 -5.206 -29.533 1.00 53.41 N ATOM 355 NH2 ARG A 24 30.865 -3.953 -28.731 1.00 75.42 N ATOM 0 H ARG A 24 25.691 0.756 -29.722 1.00 44.41 H new ATOM 0 HA ARG A 24 24.429 -0.689 -27.723 1.00 41.04 H new ATOM 0 HB2 ARG A 24 26.168 -1.461 -29.399 1.00 34.34 H new ATOM 0 HB3 ARG A 24 27.393 -0.691 -28.411 1.00 34.34 H new ATOM 0 HG2 ARG A 24 27.041 -2.202 -26.596 1.00 64.32 H new ATOM 0 HG3 ARG A 24 25.519 -2.770 -27.254 1.00 64.32 H new ATOM 0 HD2 ARG A 24 26.987 -4.506 -27.817 1.00 43.23 H new ATOM 0 HD3 ARG A 24 26.926 -3.571 -29.298 1.00 43.23 H new ATOM 0 HE ARG A 24 29.074 -2.588 -27.671 1.00 65.32 H new ATOM 0 HH11 ARG A 24 28.115 -5.381 -29.607 1.00 53.41 H new ATOM 0 HH12 ARG A 24 29.778 -5.823 -30.005 1.00 53.41 H new ATOM 0 HH21 ARG A 24 31.209 -3.162 -28.187 1.00 75.42 H new ATOM 0 HH22 ARG A 24 31.524 -4.572 -29.204 1.00 75.42 H new ATOM 369 N LYS A 25 26.756 1.353 -26.583 1.00 71.23 N ATOM 370 CA LYS A 25 27.270 1.989 -25.376 1.00 52.02 C ATOM 371 C LYS A 25 26.154 2.704 -24.621 1.00 42.30 C ATOM 372 O LYS A 25 26.178 2.789 -23.393 1.00 12.43 O ATOM 373 CB LYS A 25 28.378 2.983 -25.731 1.00 64.41 C ATOM 374 CG LYS A 25 29.201 3.429 -24.535 1.00 13.23 C ATOM 375 CD LYS A 25 30.004 4.681 -24.846 1.00 63.42 C ATOM 376 CE LYS A 25 30.626 5.271 -23.590 1.00 25.41 C ATOM 377 NZ LYS A 25 31.846 4.524 -23.172 1.00 15.52 N ATOM 0 H LYS A 25 27.169 1.699 -27.449 1.00 71.23 H new ATOM 0 HA LYS A 25 27.681 1.211 -24.732 1.00 52.02 H new ATOM 0 HB2 LYS A 25 29.040 2.528 -26.468 1.00 64.41 H new ATOM 0 HB3 LYS A 25 27.932 3.859 -26.201 1.00 64.41 H new ATOM 0 HG2 LYS A 25 28.541 3.620 -23.689 1.00 13.23 H new ATOM 0 HG3 LYS A 25 29.877 2.627 -24.238 1.00 13.23 H new ATOM 0 HD2 LYS A 25 30.789 4.442 -25.564 1.00 63.42 H new ATOM 0 HD3 LYS A 25 29.357 5.422 -25.315 1.00 63.42 H new ATOM 0 HE2 LYS A 25 30.883 6.315 -23.768 1.00 25.41 H new ATOM 0 HE3 LYS A 25 29.896 5.255 -22.781 1.00 25.41 H new ATOM 0 HZ1 LYS A 25 32.241 4.957 -22.313 1.00 15.52 H new ATOM 0 HZ2 LYS A 25 31.597 3.533 -22.978 1.00 15.52 H new ATOM 0 HZ3 LYS A 25 32.553 4.560 -23.934 1.00 15.52 H new ATOM 391 N HIS A 26 25.177 3.216 -25.363 1.00 1.11 N ATOM 392 CA HIS A 26 24.051 3.922 -24.762 1.00 50.44 C ATOM 393 C HIS A 26 22.844 2.999 -24.620 1.00 4.40 C ATOM 394 O HIS A 26 21.700 3.454 -24.595 1.00 43.40 O ATOM 395 CB HIS A 26 23.678 5.142 -25.606 1.00 62.20 C ATOM 396 CG HIS A 26 24.549 6.334 -25.353 1.00 61.24 C ATOM 397 ND1 HIS A 26 24.066 7.625 -25.319 1.00 64.04 N ATOM 398 CD2 HIS A 26 25.879 6.425 -25.120 1.00 63.21 C ATOM 399 CE1 HIS A 26 25.062 8.459 -25.078 1.00 22.21 C ATOM 400 NE2 HIS A 26 26.173 7.756 -24.952 1.00 62.43 N ATOM 0 H HIS A 26 25.142 3.155 -26.381 1.00 1.11 H new ATOM 0 HA HIS A 26 24.351 4.254 -23.768 1.00 50.44 H new ATOM 0 HB2 HIS A 26 23.738 4.876 -26.661 1.00 62.20 H new ATOM 0 HB3 HIS A 26 22.641 5.410 -25.404 1.00 62.20 H new ATOM 0 HD2 HIS A 26 26.579 5.604 -25.075 1.00 63.21 H new ATOM 0 HE1 HIS A 26 24.981 9.533 -24.998 1.00 22.21 H new ATOM 0 HE2 HIS A 26 27.099 8.139 -24.761 1.00 62.43 H new ATOM 408 N THR A 27 23.107 1.699 -24.527 1.00 43.55 N ATOM 409 CA THR A 27 22.044 0.713 -24.390 1.00 32.43 C ATOM 410 C THR A 27 22.151 -0.030 -23.063 1.00 4.03 C ATOM 411 O THR A 27 21.158 -0.538 -22.544 1.00 12.23 O ATOM 412 CB THR A 27 22.074 -0.310 -25.541 1.00 73.12 C ATOM 413 OG1 THR A 27 21.932 0.362 -26.797 1.00 53.34 O ATOM 414 CG2 THR A 27 20.963 -1.337 -25.382 1.00 30.34 C ATOM 0 H THR A 27 24.048 1.305 -24.544 1.00 43.55 H new ATOM 0 HA THR A 27 21.101 1.259 -24.423 1.00 32.43 H new ATOM 0 HB THR A 27 23.033 -0.828 -25.512 1.00 73.12 H new ATOM 0 HG1 THR A 27 22.783 0.784 -27.040 1.00 53.34 H new ATOM 0 HG21 THR A 27 21.005 -2.049 -26.207 1.00 30.34 H new ATOM 0 HG22 THR A 27 21.090 -1.867 -24.438 1.00 30.34 H new ATOM 0 HG23 THR A 27 19.997 -0.832 -25.387 1.00 30.34 H new ATOM 422 N GLN A 28 23.363 -0.088 -22.519 1.00 72.41 N ATOM 423 CA GLN A 28 23.599 -0.770 -21.252 1.00 12.43 C ATOM 424 C GLN A 28 23.352 0.169 -20.075 1.00 74.31 C ATOM 425 O GLN A 28 22.902 -0.258 -19.012 1.00 73.12 O ATOM 426 CB GLN A 28 25.029 -1.309 -21.197 1.00 60.32 C ATOM 427 CG GLN A 28 26.082 -0.226 -21.034 1.00 4.41 C ATOM 428 CD GLN A 28 27.480 -0.790 -20.870 1.00 32.02 C ATOM 429 OE1 GLN A 28 27.661 -1.884 -20.334 1.00 1.54 O ATOM 430 NE2 GLN A 28 28.477 -0.045 -21.332 1.00 24.30 N ATOM 0 H GLN A 28 24.196 0.329 -22.936 1.00 72.41 H new ATOM 0 HA GLN A 28 22.901 -1.604 -21.182 1.00 12.43 H new ATOM 0 HB2 GLN A 28 25.112 -2.012 -20.368 1.00 60.32 H new ATOM 0 HB3 GLN A 28 25.233 -1.868 -22.110 1.00 60.32 H new ATOM 0 HG2 GLN A 28 26.059 0.431 -21.903 1.00 4.41 H new ATOM 0 HG3 GLN A 28 25.837 0.386 -20.166 1.00 4.41 H new ATOM 0 HE21 GLN A 28 28.281 0.855 -21.769 1.00 24.30 H new ATOM 0 HE22 GLN A 28 29.439 -0.373 -21.250 1.00 24.30 H new ATOM 439 N ALA A 29 23.649 1.449 -20.273 1.00 22.22 N ATOM 440 CA ALA A 29 23.458 2.448 -19.229 1.00 34.33 C ATOM 441 C ALA A 29 21.984 2.583 -18.862 1.00 34.31 C ATOM 442 O ALA A 29 21.623 2.557 -17.686 1.00 20.03 O ATOM 443 CB ALA A 29 24.018 3.790 -19.674 1.00 11.52 C ATOM 0 H ALA A 29 24.023 1.819 -21.147 1.00 22.22 H new ATOM 0 HA ALA A 29 23.998 2.118 -18.341 1.00 34.33 H new ATOM 0 HB1 ALA A 29 23.868 4.527 -18.885 1.00 11.52 H new ATOM 0 HB2 ALA A 29 25.084 3.689 -19.879 1.00 11.52 H new ATOM 0 HB3 ALA A 29 23.504 4.117 -20.578 1.00 11.52 H new ATOM 449 N GLU A 30 21.137 2.727 -19.876 1.00 52.24 N ATOM 450 CA GLU A 30 19.702 2.868 -19.659 1.00 31.13 C ATOM 451 C GLU A 30 19.160 1.704 -18.834 1.00 1.24 C ATOM 452 O GLU A 30 18.333 1.893 -17.943 1.00 33.31 O ATOM 453 CB GLU A 30 18.965 2.944 -20.998 1.00 4.42 C ATOM 454 CG GLU A 30 19.204 1.740 -21.893 1.00 41.33 C ATOM 455 CD GLU A 30 18.670 1.943 -23.298 1.00 31.11 C ATOM 456 OE1 GLU A 30 18.561 3.110 -23.728 1.00 2.51 O ATOM 457 OE2 GLU A 30 18.360 0.935 -23.967 1.00 25.03 O ATOM 0 H GLU A 30 21.420 2.749 -20.856 1.00 52.24 H new ATOM 0 HA GLU A 30 19.534 3.793 -19.107 1.00 31.13 H new ATOM 0 HB2 GLU A 30 17.896 3.040 -20.810 1.00 4.42 H new ATOM 0 HB3 GLU A 30 19.278 3.846 -21.525 1.00 4.42 H new ATOM 0 HG2 GLU A 30 20.273 1.534 -21.941 1.00 41.33 H new ATOM 0 HG3 GLU A 30 18.730 0.864 -21.451 1.00 41.33 H new ATOM 464 N GLY A 31 19.633 0.499 -19.138 1.00 4.41 N ATOM 465 CA GLY A 31 19.186 -0.678 -18.417 1.00 15.53 C ATOM 466 C GLY A 31 19.481 -0.595 -16.932 1.00 61.12 C ATOM 467 O GLY A 31 18.875 -1.306 -16.130 1.00 51.21 O ATOM 0 H GLY A 31 20.318 0.317 -19.871 1.00 4.41 H new ATOM 0 HA2 GLY A 31 18.114 -0.805 -18.565 1.00 15.53 H new ATOM 0 HA3 GLY A 31 19.672 -1.561 -18.832 1.00 15.53 H new ATOM 471 N LYS A 32 20.417 0.273 -16.564 1.00 51.42 N ATOM 472 CA LYS A 32 20.793 0.447 -15.166 1.00 62.23 C ATOM 473 C LYS A 32 19.838 1.404 -14.460 1.00 70.33 C ATOM 474 O LYS A 32 19.407 1.150 -13.335 1.00 45.10 O ATOM 475 CB LYS A 32 22.227 0.973 -15.064 1.00 72.41 C ATOM 476 CG LYS A 32 23.245 0.107 -15.786 1.00 40.21 C ATOM 477 CD LYS A 32 24.507 0.887 -16.114 1.00 50.24 C ATOM 478 CE LYS A 32 25.462 0.927 -14.931 1.00 34.40 C ATOM 479 NZ LYS A 32 26.745 1.598 -15.276 1.00 24.20 N ATOM 0 H LYS A 32 20.930 0.868 -17.215 1.00 51.42 H new ATOM 0 HA LYS A 32 20.733 -0.525 -14.676 1.00 62.23 H new ATOM 0 HB2 LYS A 32 22.265 1.982 -15.474 1.00 72.41 H new ATOM 0 HB3 LYS A 32 22.505 1.045 -14.012 1.00 72.41 H new ATOM 0 HG2 LYS A 32 23.498 -0.753 -15.165 1.00 40.21 H new ATOM 0 HG3 LYS A 32 22.807 -0.282 -16.705 1.00 40.21 H new ATOM 0 HD2 LYS A 32 25.005 0.431 -16.970 1.00 50.24 H new ATOM 0 HD3 LYS A 32 24.242 1.904 -16.404 1.00 50.24 H new ATOM 0 HE2 LYS A 32 24.990 1.452 -14.101 1.00 34.40 H new ATOM 0 HE3 LYS A 32 25.663 -0.089 -14.592 1.00 34.40 H new ATOM 0 HZ1 LYS A 32 27.368 1.605 -14.443 1.00 24.20 H new ATOM 0 HZ2 LYS A 32 27.209 1.083 -16.051 1.00 24.20 H new ATOM 0 HZ3 LYS A 32 26.556 2.576 -15.575 1.00 24.20 H new ATOM 493 N LYS A 33 19.509 2.504 -15.129 1.00 32.15 N ATOM 494 CA LYS A 33 18.602 3.498 -14.567 1.00 41.21 C ATOM 495 C LYS A 33 17.297 2.851 -14.114 1.00 64.42 C ATOM 496 O LYS A 33 16.944 2.900 -12.935 1.00 42.42 O ATOM 497 CB LYS A 33 18.310 4.592 -15.597 1.00 63.32 C ATOM 498 CG LYS A 33 18.085 5.962 -14.982 1.00 53.12 C ATOM 499 CD LYS A 33 16.710 6.068 -14.345 1.00 35.34 C ATOM 500 CE LYS A 33 16.772 5.831 -12.843 1.00 55.14 C ATOM 501 NZ LYS A 33 15.505 5.249 -12.321 1.00 35.31 N ATOM 0 H LYS A 33 19.857 2.730 -16.061 1.00 32.15 H new ATOM 0 HA LYS A 33 19.086 3.944 -13.698 1.00 41.21 H new ATOM 0 HB2 LYS A 33 19.142 4.650 -16.299 1.00 63.32 H new ATOM 0 HB3 LYS A 33 17.427 4.312 -16.172 1.00 63.32 H new ATOM 0 HG2 LYS A 33 18.851 6.155 -14.231 1.00 53.12 H new ATOM 0 HG3 LYS A 33 18.191 6.728 -15.750 1.00 53.12 H new ATOM 0 HD2 LYS A 33 16.292 7.055 -14.542 1.00 35.34 H new ATOM 0 HD3 LYS A 33 16.039 5.341 -14.802 1.00 35.34 H new ATOM 0 HE2 LYS A 33 17.601 5.161 -12.615 1.00 55.14 H new ATOM 0 HE3 LYS A 33 16.975 6.774 -12.335 1.00 55.14 H new ATOM 0 HZ1 LYS A 33 15.353 5.569 -11.343 1.00 35.31 H new ATOM 0 HZ2 LYS A 33 14.710 5.560 -12.915 1.00 35.31 H new ATOM 0 HZ3 LYS A 33 15.566 4.211 -12.340 1.00 35.31 H new ATOM 515 N LEU A 34 16.586 2.242 -15.057 1.00 0.23 N ATOM 516 CA LEU A 34 15.320 1.583 -14.754 1.00 64.31 C ATOM 517 C LEU A 34 15.533 0.404 -13.809 1.00 52.32 C ATOM 518 O LEU A 34 14.831 0.264 -12.808 1.00 64.23 O ATOM 519 CB LEU A 34 14.652 1.103 -16.043 1.00 54.15 C ATOM 520 CG LEU A 34 13.863 2.156 -16.822 1.00 54.32 C ATOM 521 CD1 LEU A 34 13.295 1.561 -18.101 1.00 64.44 C ATOM 522 CD2 LEU A 34 12.749 2.733 -15.961 1.00 13.23 C ATOM 0 H LEU A 34 16.864 2.191 -16.037 1.00 0.23 H new ATOM 0 HA LEU A 34 14.670 2.307 -14.262 1.00 64.31 H new ATOM 0 HB2 LEU A 34 15.422 0.697 -16.698 1.00 54.15 H new ATOM 0 HB3 LEU A 34 13.978 0.282 -15.796 1.00 54.15 H new ATOM 0 HG LEU A 34 14.543 2.964 -17.092 1.00 54.32 H new ATOM 0 HD11 LEU A 34 12.737 2.326 -18.641 1.00 64.44 H new ATOM 0 HD12 LEU A 34 14.110 1.197 -18.726 1.00 64.44 H new ATOM 0 HD13 LEU A 34 12.630 0.734 -17.853 1.00 64.44 H new ATOM 0 HD21 LEU A 34 12.198 3.481 -16.532 1.00 13.23 H new ATOM 0 HD22 LEU A 34 12.071 1.934 -15.660 1.00 13.23 H new ATOM 0 HD23 LEU A 34 13.179 3.198 -15.074 1.00 13.23 H new ATOM 534 N GLY A 35 16.508 -0.440 -14.134 1.00 15.13 N ATOM 535 CA GLY A 35 16.796 -1.594 -13.303 1.00 25.12 C ATOM 536 C GLY A 35 16.628 -2.903 -14.049 1.00 42.42 C ATOM 537 O GLY A 35 16.490 -3.962 -13.437 1.00 23.34 O ATOM 0 H GLY A 35 17.103 -0.345 -14.957 1.00 15.13 H new ATOM 0 HA2 GLY A 35 17.817 -1.522 -12.928 1.00 25.12 H new ATOM 0 HA3 GLY A 35 16.136 -1.587 -12.435 1.00 25.12 H new ATOM 541 N LEU A 36 16.638 -2.830 -15.376 1.00 34.54 N ATOM 542 CA LEU A 36 16.483 -4.019 -16.208 1.00 2.15 C ATOM 543 C LEU A 36 17.838 -4.647 -16.517 1.00 4.21 C ATOM 544 O LEU A 36 18.871 -3.978 -16.466 1.00 14.03 O ATOM 545 CB LEU A 36 15.764 -3.664 -17.510 1.00 14.21 C ATOM 546 CG LEU A 36 14.384 -3.022 -17.361 1.00 11.42 C ATOM 547 CD1 LEU A 36 13.732 -2.835 -18.722 1.00 71.40 C ATOM 548 CD2 LEU A 36 13.499 -3.864 -16.454 1.00 74.21 C ATOM 0 H LEU A 36 16.752 -1.961 -15.898 1.00 34.54 H new ATOM 0 HA LEU A 36 15.885 -4.744 -15.656 1.00 2.15 H new ATOM 0 HB2 LEU A 36 16.399 -2.985 -18.079 1.00 14.21 H new ATOM 0 HB3 LEU A 36 15.658 -4.573 -18.103 1.00 14.21 H new ATOM 0 HG LEU A 36 14.509 -2.041 -16.904 1.00 11.42 H new ATOM 0 HD11 LEU A 36 12.751 -2.377 -18.596 1.00 71.40 H new ATOM 0 HD12 LEU A 36 14.357 -2.190 -19.339 1.00 71.40 H new ATOM 0 HD13 LEU A 36 13.620 -3.804 -19.208 1.00 71.40 H new ATOM 0 HD21 LEU A 36 12.521 -3.392 -16.360 1.00 74.21 H new ATOM 0 HD22 LEU A 36 13.382 -4.859 -16.882 1.00 74.21 H new ATOM 0 HD23 LEU A 36 13.959 -3.945 -15.469 1.00 74.21 H new ATOM 560 N VAL A 37 17.827 -5.936 -16.840 1.00 64.14 N ATOM 561 CA VAL A 37 19.055 -6.654 -17.162 1.00 20.22 C ATOM 562 C VAL A 37 18.935 -7.378 -18.498 1.00 53.53 C ATOM 563 O VAL A 37 17.858 -7.436 -19.090 1.00 34.13 O ATOM 564 CB VAL A 37 19.410 -7.678 -16.067 1.00 13.43 C ATOM 565 CG1 VAL A 37 19.506 -6.997 -14.710 1.00 51.50 C ATOM 566 CG2 VAL A 37 18.385 -8.802 -16.037 1.00 2.33 C ATOM 0 H VAL A 37 16.982 -6.505 -16.886 1.00 64.14 H new ATOM 0 HA VAL A 37 19.849 -5.910 -17.225 1.00 20.22 H new ATOM 0 HB VAL A 37 20.383 -8.110 -16.300 1.00 13.43 H new ATOM 0 HG11 VAL A 37 19.757 -7.736 -13.949 1.00 51.50 H new ATOM 0 HG12 VAL A 37 20.280 -6.231 -14.742 1.00 51.50 H new ATOM 0 HG13 VAL A 37 18.549 -6.536 -14.466 1.00 51.50 H new ATOM 0 HG21 VAL A 37 18.651 -9.516 -15.258 1.00 2.33 H new ATOM 0 HG22 VAL A 37 17.398 -8.389 -15.829 1.00 2.33 H new ATOM 0 HG23 VAL A 37 18.371 -9.307 -17.003 1.00 2.33 H new ATOM 576 N GLY A 38 20.049 -7.929 -18.969 1.00 44.44 N ATOM 577 CA GLY A 38 20.048 -8.642 -20.233 1.00 54.33 C ATOM 578 C GLY A 38 21.385 -8.568 -20.942 1.00 63.24 C ATOM 579 O GLY A 38 22.436 -8.712 -20.317 1.00 14.24 O ATOM 0 H GLY A 38 20.953 -7.894 -18.498 1.00 44.44 H new ATOM 0 HA2 GLY A 38 19.791 -9.687 -20.057 1.00 54.33 H new ATOM 0 HA3 GLY A 38 19.274 -8.228 -20.879 1.00 54.33 H new ATOM 583 N TRP A 39 21.348 -8.346 -22.251 1.00 54.21 N ATOM 584 CA TRP A 39 22.567 -8.256 -23.046 1.00 40.53 C ATOM 585 C TRP A 39 22.251 -7.866 -24.486 1.00 15.11 C ATOM 586 O TRP A 39 21.219 -8.257 -25.033 1.00 24.31 O ATOM 587 CB TRP A 39 23.318 -9.588 -23.019 1.00 1.33 C ATOM 588 CG TRP A 39 22.557 -10.712 -23.653 1.00 72.03 C ATOM 589 CD1 TRP A 39 22.369 -10.924 -24.989 1.00 45.44 C ATOM 590 CD2 TRP A 39 21.880 -11.777 -22.977 1.00 74.25 C ATOM 591 NE1 TRP A 39 21.616 -12.056 -25.185 1.00 24.21 N ATOM 592 CE2 TRP A 39 21.304 -12.599 -23.967 1.00 0.35 C ATOM 593 CE3 TRP A 39 21.705 -12.118 -21.634 1.00 21.24 C ATOM 594 CZ2 TRP A 39 20.567 -13.737 -23.652 1.00 13.03 C ATOM 595 CZ3 TRP A 39 20.973 -13.248 -21.323 1.00 32.12 C ATOM 596 CH2 TRP A 39 20.412 -14.047 -22.328 1.00 34.01 C ATOM 0 H TRP A 39 20.487 -8.225 -22.784 1.00 54.21 H new ATOM 0 HA TRP A 39 23.198 -7.482 -22.610 1.00 40.53 H new ATOM 0 HB2 TRP A 39 24.272 -9.469 -23.533 1.00 1.33 H new ATOM 0 HB3 TRP A 39 23.543 -9.849 -21.985 1.00 1.33 H new ATOM 0 HD1 TRP A 39 22.756 -10.294 -25.776 1.00 45.44 H new ATOM 0 HE1 TRP A 39 21.335 -12.431 -26.091 1.00 24.21 H new ATOM 0 HE3 TRP A 39 22.134 -11.509 -20.852 1.00 21.24 H new ATOM 0 HZ2 TRP A 39 20.133 -14.354 -24.425 1.00 13.03 H new ATOM 0 HZ3 TRP A 39 20.831 -13.520 -20.288 1.00 32.12 H new ATOM 0 HH2 TRP A 39 19.846 -14.925 -22.052 1.00 34.01 H new ATOM 607 N VAL A 40 23.144 -7.093 -25.095 1.00 52.15 N ATOM 608 CA VAL A 40 22.960 -6.652 -26.473 1.00 12.42 C ATOM 609 C VAL A 40 24.245 -6.809 -27.277 1.00 24.21 C ATOM 610 O VAL A 40 25.344 -6.656 -26.744 1.00 62.41 O ATOM 611 CB VAL A 40 22.505 -5.181 -26.535 1.00 62.31 C ATOM 612 CG1 VAL A 40 23.541 -4.274 -25.888 1.00 73.20 C ATOM 613 CG2 VAL A 40 22.245 -4.765 -27.975 1.00 21.00 C ATOM 0 H VAL A 40 24.002 -6.759 -24.656 1.00 52.15 H new ATOM 0 HA VAL A 40 22.185 -7.284 -26.907 1.00 12.42 H new ATOM 0 HB VAL A 40 21.573 -5.083 -25.978 1.00 62.31 H new ATOM 0 HG11 VAL A 40 23.203 -3.239 -25.941 1.00 73.20 H new ATOM 0 HG12 VAL A 40 23.673 -4.559 -24.844 1.00 73.20 H new ATOM 0 HG13 VAL A 40 24.490 -4.373 -26.414 1.00 73.20 H new ATOM 0 HG21 VAL A 40 21.925 -3.723 -28.001 1.00 21.00 H new ATOM 0 HG22 VAL A 40 23.160 -4.878 -28.557 1.00 21.00 H new ATOM 0 HG23 VAL A 40 21.464 -5.395 -28.401 1.00 21.00 H new ATOM 623 N GLN A 41 24.099 -7.115 -28.562 1.00 24.20 N ATOM 624 CA GLN A 41 25.250 -7.294 -29.440 1.00 10.33 C ATOM 625 C GLN A 41 24.947 -6.783 -30.845 1.00 3.14 C ATOM 626 O GLN A 41 24.199 -7.408 -31.595 1.00 14.45 O ATOM 627 CB GLN A 41 25.651 -8.769 -29.496 1.00 3.30 C ATOM 628 CG GLN A 41 26.886 -9.031 -30.342 1.00 64.34 C ATOM 629 CD GLN A 41 27.119 -10.508 -30.593 1.00 72.21 C ATOM 630 OE1 GLN A 41 27.460 -11.259 -29.678 1.00 53.25 O ATOM 631 NE2 GLN A 41 26.935 -10.934 -31.837 1.00 41.25 N ATOM 0 H GLN A 41 23.196 -7.244 -29.018 1.00 24.20 H new ATOM 0 HA GLN A 41 26.079 -6.715 -29.033 1.00 10.33 H new ATOM 0 HB2 GLN A 41 25.832 -9.126 -28.482 1.00 3.30 H new ATOM 0 HB3 GLN A 41 24.818 -9.349 -29.894 1.00 3.30 H new ATOM 0 HG2 GLN A 41 26.783 -8.516 -31.297 1.00 64.34 H new ATOM 0 HG3 GLN A 41 27.759 -8.609 -29.844 1.00 64.34 H new ATOM 0 HE21 GLN A 41 26.652 -10.277 -32.564 1.00 41.25 H new ATOM 0 HE22 GLN A 41 27.076 -11.918 -32.065 1.00 41.25 H new ATOM 640 N ASN A 42 25.535 -5.643 -31.194 1.00 14.23 N ATOM 641 CA ASN A 42 25.327 -5.047 -32.509 1.00 33.43 C ATOM 642 C ASN A 42 25.609 -6.060 -33.615 1.00 15.31 C ATOM 643 O ASN A 42 26.335 -7.033 -33.411 1.00 74.43 O ATOM 644 CB ASN A 42 26.224 -3.821 -32.684 1.00 3.22 C ATOM 645 CG ASN A 42 25.667 -2.836 -33.693 1.00 52.22 C ATOM 646 OD1 ASN A 42 24.634 -3.085 -34.315 1.00 61.02 O ATOM 647 ND2 ASN A 42 26.350 -1.710 -33.860 1.00 44.44 N ATOM 0 H ASN A 42 26.159 -5.114 -30.585 1.00 14.23 H new ATOM 0 HA ASN A 42 24.284 -4.738 -32.580 1.00 33.43 H new ATOM 0 HB2 ASN A 42 26.345 -3.322 -31.722 1.00 3.22 H new ATOM 0 HB3 ASN A 42 27.215 -4.142 -33.003 1.00 3.22 H new ATOM 0 HD21 ASN A 42 26.023 -1.009 -34.525 1.00 44.44 H new ATOM 0 HD22 ASN A 42 27.201 -1.545 -33.323 1.00 44.44 H new ATOM 654 N THR A 43 25.029 -5.823 -34.788 1.00 3.01 N ATOM 655 CA THR A 43 25.217 -6.713 -35.926 1.00 61.25 C ATOM 656 C THR A 43 25.882 -5.986 -37.090 1.00 14.44 C ATOM 657 O THR A 43 26.143 -4.785 -37.015 1.00 50.21 O ATOM 658 CB THR A 43 23.877 -7.305 -36.404 1.00 4.21 C ATOM 659 OG1 THR A 43 23.050 -6.269 -36.945 1.00 72.24 O ATOM 660 CG2 THR A 43 23.151 -7.994 -35.259 1.00 24.24 C ATOM 0 H THR A 43 24.425 -5.022 -34.974 1.00 3.01 H new ATOM 0 HA THR A 43 25.865 -7.523 -35.590 1.00 61.25 H new ATOM 0 HB THR A 43 24.086 -8.044 -37.177 1.00 4.21 H new ATOM 0 HG1 THR A 43 22.703 -5.714 -36.216 1.00 72.24 H new ATOM 0 HG21 THR A 43 22.208 -8.404 -35.620 1.00 24.24 H new ATOM 0 HG22 THR A 43 23.771 -8.801 -34.868 1.00 24.24 H new ATOM 0 HG23 THR A 43 22.953 -7.272 -34.467 1.00 24.24 H new ATOM 668 N ASP A 44 26.152 -6.719 -38.163 1.00 72.54 N ATOM 669 CA ASP A 44 26.785 -6.143 -39.344 1.00 14.00 C ATOM 670 C ASP A 44 25.739 -5.735 -40.377 1.00 34.41 C ATOM 671 O ASP A 44 25.938 -4.787 -41.136 1.00 63.01 O ATOM 672 CB ASP A 44 27.767 -7.140 -39.961 1.00 32.23 C ATOM 673 CG ASP A 44 28.426 -6.603 -41.215 1.00 43.45 C ATOM 674 OD1 ASP A 44 28.878 -5.439 -41.196 1.00 14.41 O ATOM 675 OD2 ASP A 44 28.490 -7.346 -42.217 1.00 43.34 O ATOM 0 H ASP A 44 25.943 -7.714 -38.240 1.00 72.54 H new ATOM 0 HA ASP A 44 27.331 -5.252 -39.034 1.00 14.00 H new ATOM 0 HB2 ASP A 44 28.535 -7.389 -39.229 1.00 32.23 H new ATOM 0 HB3 ASP A 44 27.241 -8.065 -40.198 1.00 32.23 H new ATOM 680 N ARG A 45 24.624 -6.459 -40.400 1.00 40.20 N ATOM 681 CA ARG A 45 23.548 -6.174 -41.341 1.00 53.12 C ATOM 682 C ARG A 45 22.999 -4.766 -41.129 1.00 52.05 C ATOM 683 O ARG A 45 22.727 -4.044 -42.088 1.00 4.23 O ATOM 684 CB ARG A 45 22.423 -7.200 -41.188 1.00 40.45 C ATOM 685 CG ARG A 45 21.630 -7.429 -42.465 1.00 2.31 C ATOM 686 CD ARG A 45 21.030 -8.825 -42.505 1.00 34.25 C ATOM 687 NE ARG A 45 20.575 -9.188 -43.844 1.00 43.23 N ATOM 688 CZ ARG A 45 19.903 -10.301 -44.116 1.00 43.12 C ATOM 689 NH1 ARG A 45 19.609 -11.155 -43.146 1.00 71.31 N ATOM 690 NH2 ARG A 45 19.524 -10.561 -45.361 1.00 31.01 N ATOM 0 H ARG A 45 24.443 -7.247 -39.778 1.00 40.20 H new ATOM 0 HA ARG A 45 23.955 -6.239 -42.350 1.00 53.12 H new ATOM 0 HB2 ARG A 45 22.849 -8.148 -40.860 1.00 40.45 H new ATOM 0 HB3 ARG A 45 21.744 -6.868 -40.403 1.00 40.45 H new ATOM 0 HG2 ARG A 45 20.834 -6.688 -42.538 1.00 2.31 H new ATOM 0 HG3 ARG A 45 22.280 -7.286 -43.329 1.00 2.31 H new ATOM 0 HD2 ARG A 45 21.772 -9.548 -42.166 1.00 34.25 H new ATOM 0 HD3 ARG A 45 20.192 -8.879 -41.810 1.00 34.25 H new ATOM 0 HE ARG A 45 20.785 -8.552 -44.613 1.00 43.23 H new ATOM 0 HH11 ARG A 45 19.899 -10.958 -42.188 1.00 71.31 H new ATOM 0 HH12 ARG A 45 19.093 -12.009 -43.357 1.00 71.31 H new ATOM 0 HH21 ARG A 45 19.749 -9.906 -46.110 1.00 31.01 H new ATOM 0 HH22 ARG A 45 19.008 -11.416 -45.569 1.00 31.01 H new ATOM 704 N GLY A 46 22.837 -4.383 -39.866 1.00 43.14 N ATOM 705 CA GLY A 46 22.321 -3.064 -39.552 1.00 0.43 C ATOM 706 C GLY A 46 21.170 -3.111 -38.566 1.00 24.30 C ATOM 707 O GLY A 46 20.124 -2.503 -38.791 1.00 54.01 O ATOM 0 H GLY A 46 23.054 -4.963 -39.055 1.00 43.14 H new ATOM 0 HA2 GLY A 46 23.123 -2.452 -39.140 1.00 0.43 H new ATOM 0 HA3 GLY A 46 21.989 -2.579 -40.470 1.00 0.43 H new ATOM 711 N THR A 47 21.362 -3.838 -37.469 1.00 43.03 N ATOM 712 CA THR A 47 20.332 -3.965 -36.447 1.00 35.51 C ATOM 713 C THR A 47 20.947 -4.205 -35.073 1.00 34.11 C ATOM 714 O THR A 47 22.123 -4.549 -34.960 1.00 4.44 O ATOM 715 CB THR A 47 19.360 -5.116 -36.769 1.00 73.25 C ATOM 716 OG1 THR A 47 20.074 -6.211 -37.355 1.00 14.22 O ATOM 717 CG2 THR A 47 18.267 -4.651 -37.720 1.00 34.04 C ATOM 0 H THR A 47 22.222 -4.348 -37.266 1.00 43.03 H new ATOM 0 HA THR A 47 19.780 -3.025 -36.436 1.00 35.51 H new ATOM 0 HB THR A 47 18.896 -5.441 -35.838 1.00 73.25 H new ATOM 0 HG1 THR A 47 20.998 -6.212 -37.028 1.00 14.22 H new ATOM 0 HG21 THR A 47 17.593 -5.481 -37.933 1.00 34.04 H new ATOM 0 HG22 THR A 47 17.707 -3.837 -37.260 1.00 34.04 H new ATOM 0 HG23 THR A 47 18.717 -4.302 -38.649 1.00 34.04 H new ATOM 725 N VAL A 48 20.143 -4.022 -34.030 1.00 21.42 N ATOM 726 CA VAL A 48 20.608 -4.221 -32.662 1.00 44.43 C ATOM 727 C VAL A 48 20.017 -5.490 -32.059 1.00 52.41 C ATOM 728 O VAL A 48 18.845 -5.522 -31.686 1.00 34.42 O ATOM 729 CB VAL A 48 20.245 -3.022 -31.766 1.00 51.34 C ATOM 730 CG1 VAL A 48 20.870 -3.176 -30.388 1.00 53.12 C ATOM 731 CG2 VAL A 48 20.684 -1.719 -32.417 1.00 12.40 C ATOM 0 H VAL A 48 19.167 -3.736 -34.106 1.00 21.42 H new ATOM 0 HA VAL A 48 21.693 -4.316 -32.707 1.00 44.43 H new ATOM 0 HB VAL A 48 19.162 -2.995 -31.646 1.00 51.34 H new ATOM 0 HG11 VAL A 48 20.602 -2.319 -29.769 1.00 53.12 H new ATOM 0 HG12 VAL A 48 20.502 -4.090 -29.922 1.00 53.12 H new ATOM 0 HG13 VAL A 48 21.954 -3.229 -30.484 1.00 53.12 H new ATOM 0 HG21 VAL A 48 20.420 -0.882 -31.770 1.00 12.40 H new ATOM 0 HG22 VAL A 48 21.763 -1.734 -32.569 1.00 12.40 H new ATOM 0 HG23 VAL A 48 20.184 -1.606 -33.379 1.00 12.40 H new ATOM 741 N GLN A 49 20.836 -6.532 -31.967 1.00 22.04 N ATOM 742 CA GLN A 49 20.393 -7.804 -31.408 1.00 62.15 C ATOM 743 C GLN A 49 20.507 -7.800 -29.888 1.00 23.54 C ATOM 744 O GLN A 49 21.597 -7.951 -29.336 1.00 72.14 O ATOM 745 CB GLN A 49 21.216 -8.955 -31.991 1.00 10.23 C ATOM 746 CG GLN A 49 20.713 -9.440 -33.341 1.00 2.22 C ATOM 747 CD GLN A 49 21.459 -10.664 -33.836 1.00 13.52 C ATOM 748 OE1 GLN A 49 22.675 -10.630 -34.023 1.00 42.14 O ATOM 749 NE2 GLN A 49 20.731 -11.754 -34.050 1.00 43.43 N ATOM 0 H GLN A 49 21.809 -6.521 -32.272 1.00 22.04 H new ATOM 0 HA GLN A 49 19.345 -7.944 -31.674 1.00 62.15 H new ATOM 0 HB2 GLN A 49 22.253 -8.634 -32.093 1.00 10.23 H new ATOM 0 HB3 GLN A 49 21.208 -9.789 -31.289 1.00 10.23 H new ATOM 0 HG2 GLN A 49 19.651 -9.672 -33.267 1.00 2.22 H new ATOM 0 HG3 GLN A 49 20.814 -8.638 -34.072 1.00 2.22 H new ATOM 0 HE21 GLN A 49 19.725 -11.737 -33.881 1.00 43.43 H new ATOM 0 HE22 GLN A 49 21.178 -12.608 -34.383 1.00 43.43 H new ATOM 758 N GLY A 50 19.374 -7.627 -29.214 1.00 51.23 N ATOM 759 CA GLY A 50 19.369 -7.606 -27.763 1.00 71.22 C ATOM 760 C GLY A 50 17.996 -7.886 -27.184 1.00 42.32 C ATOM 761 O GLY A 50 16.994 -7.849 -27.898 1.00 35.13 O ATOM 0 H GLY A 50 18.459 -7.501 -29.647 1.00 51.23 H new ATOM 0 HA2 GLY A 50 20.076 -8.347 -27.390 1.00 71.22 H new ATOM 0 HA3 GLY A 50 19.715 -6.632 -27.416 1.00 71.22 H new ATOM 765 N LYS A 51 17.949 -8.168 -25.887 1.00 4.24 N ATOM 766 CA LYS A 51 16.690 -8.456 -25.211 1.00 0.44 C ATOM 767 C LYS A 51 16.533 -7.593 -23.962 1.00 23.50 C ATOM 768 O LYS A 51 17.373 -6.739 -23.676 1.00 1.03 O ATOM 769 CB LYS A 51 16.617 -9.937 -24.833 1.00 10.20 C ATOM 770 CG LYS A 51 17.561 -10.325 -23.709 1.00 25.24 C ATOM 771 CD LYS A 51 17.329 -11.756 -23.254 1.00 60.44 C ATOM 772 CE LYS A 51 17.570 -12.746 -24.384 1.00 40.22 C ATOM 773 NZ LYS A 51 17.497 -14.156 -23.912 1.00 31.14 N ATOM 0 H LYS A 51 18.769 -8.203 -25.282 1.00 4.24 H new ATOM 0 HA LYS A 51 15.876 -8.222 -25.898 1.00 0.44 H new ATOM 0 HB2 LYS A 51 15.596 -10.178 -24.538 1.00 10.20 H new ATOM 0 HB3 LYS A 51 16.845 -10.539 -25.712 1.00 10.20 H new ATOM 0 HG2 LYS A 51 18.592 -10.211 -24.043 1.00 25.24 H new ATOM 0 HG3 LYS A 51 17.423 -9.648 -22.866 1.00 25.24 H new ATOM 0 HD2 LYS A 51 17.992 -11.986 -22.420 1.00 60.44 H new ATOM 0 HD3 LYS A 51 16.308 -11.862 -22.888 1.00 60.44 H new ATOM 0 HE2 LYS A 51 16.831 -12.587 -25.169 1.00 40.22 H new ATOM 0 HE3 LYS A 51 18.549 -12.561 -24.826 1.00 40.22 H new ATOM 0 HZ1 LYS A 51 17.226 -14.774 -24.704 1.00 31.14 H new ATOM 0 HZ2 LYS A 51 18.426 -14.448 -23.547 1.00 31.14 H new ATOM 0 HZ3 LYS A 51 16.788 -14.232 -23.155 1.00 31.14 H new ATOM 787 N LEU A 52 15.455 -7.824 -23.221 1.00 52.54 N ATOM 788 CA LEU A 52 15.189 -7.069 -22.002 1.00 11.33 C ATOM 789 C LEU A 52 14.427 -7.919 -20.990 1.00 53.14 C ATOM 790 O LEU A 52 13.227 -8.149 -21.139 1.00 30.31 O ATOM 791 CB LEU A 52 14.392 -5.804 -22.325 1.00 2.51 C ATOM 792 CG LEU A 52 15.015 -4.864 -23.358 1.00 52.21 C ATOM 793 CD1 LEU A 52 14.009 -3.810 -23.796 1.00 62.40 C ATOM 794 CD2 LEU A 52 16.267 -4.207 -22.796 1.00 20.25 C ATOM 0 H LEU A 52 14.751 -8.528 -23.443 1.00 52.54 H new ATOM 0 HA LEU A 52 16.146 -6.786 -21.564 1.00 11.33 H new ATOM 0 HB2 LEU A 52 13.406 -6.101 -22.682 1.00 2.51 H new ATOM 0 HB3 LEU A 52 14.242 -5.247 -21.400 1.00 2.51 H new ATOM 0 HG LEU A 52 15.298 -5.452 -24.231 1.00 52.21 H new ATOM 0 HD11 LEU A 52 14.470 -3.150 -24.531 1.00 62.40 H new ATOM 0 HD12 LEU A 52 13.141 -4.298 -24.240 1.00 62.40 H new ATOM 0 HD13 LEU A 52 13.694 -3.226 -22.931 1.00 62.40 H new ATOM 0 HD21 LEU A 52 16.696 -3.542 -23.545 1.00 20.25 H new ATOM 0 HD22 LEU A 52 16.008 -3.633 -21.906 1.00 20.25 H new ATOM 0 HD23 LEU A 52 16.994 -4.975 -22.533 1.00 20.25 H new ATOM 806 N GLN A 53 15.131 -8.380 -19.962 1.00 43.01 N ATOM 807 CA GLN A 53 14.520 -9.203 -18.926 1.00 31.34 C ATOM 808 C GLN A 53 14.442 -8.446 -17.604 1.00 42.21 C ATOM 809 O GLN A 53 15.423 -7.852 -17.159 1.00 2.30 O ATOM 810 CB GLN A 53 15.313 -10.498 -18.739 1.00 50.11 C ATOM 811 CG GLN A 53 16.819 -10.291 -18.712 1.00 53.44 C ATOM 812 CD GLN A 53 17.553 -11.434 -18.041 1.00 65.10 C ATOM 813 OE1 GLN A 53 17.129 -11.782 -16.832 1.00 32.55 O flip ATOM 814 NE2 GLN A 53 18.493 -11.998 -18.603 1.00 73.30 N flip ATOM 0 H GLN A 53 16.125 -8.198 -19.824 1.00 43.01 H new ATOM 0 HA GLN A 53 13.507 -9.448 -19.244 1.00 31.34 H new ATOM 0 HB2 GLN A 53 15.003 -10.973 -17.808 1.00 50.11 H new ATOM 0 HB3 GLN A 53 15.064 -11.187 -19.546 1.00 50.11 H new ATOM 0 HG2 GLN A 53 17.185 -10.179 -19.733 1.00 53.44 H new ATOM 0 HG3 GLN A 53 17.045 -9.362 -18.188 1.00 53.44 H new ATOM 0 HE21 GLN A 53 18.786 -11.698 -19.533 1.00 73.30 H new ATOM 0 HE22 GLN A 53 18.979 -12.765 -18.139 1.00 73.30 H new ATOM 823 N GLY A 54 13.268 -8.471 -16.981 1.00 72.21 N ATOM 824 CA GLY A 54 13.084 -7.783 -15.717 1.00 12.32 C ATOM 825 C GLY A 54 11.627 -7.476 -15.430 1.00 62.23 C ATOM 826 O GLY A 54 10.720 -8.030 -16.052 1.00 21.12 O ATOM 0 H GLY A 54 12.441 -8.956 -17.329 1.00 72.21 H new ATOM 0 HA2 GLY A 54 13.488 -8.396 -14.911 1.00 12.32 H new ATOM 0 HA3 GLY A 54 13.653 -6.853 -15.727 1.00 12.32 H new ATOM 830 N PRO A 55 11.387 -6.575 -14.467 1.00 14.24 N ATOM 831 CA PRO A 55 10.031 -6.176 -14.076 1.00 61.11 C ATOM 832 C PRO A 55 9.335 -5.354 -15.155 1.00 43.51 C ATOM 833 O PRO A 55 9.875 -4.355 -15.632 1.00 42.11 O ATOM 834 CB PRO A 55 10.258 -5.329 -12.821 1.00 61.33 C ATOM 835 CG PRO A 55 11.646 -4.806 -12.963 1.00 73.12 C ATOM 836 CD PRO A 55 12.419 -5.875 -13.684 1.00 45.25 C ATOM 0 HA PRO A 55 9.384 -7.038 -13.914 1.00 61.11 H new ATOM 0 HB2 PRO A 55 9.534 -4.517 -12.755 1.00 61.33 H new ATOM 0 HB3 PRO A 55 10.151 -5.926 -11.916 1.00 61.33 H new ATOM 0 HG2 PRO A 55 11.656 -3.872 -13.524 1.00 73.12 H new ATOM 0 HG3 PRO A 55 12.086 -4.597 -11.988 1.00 73.12 H new ATOM 0 HD2 PRO A 55 13.190 -5.449 -14.326 1.00 45.25 H new ATOM 0 HD3 PRO A 55 12.920 -6.548 -12.987 1.00 45.25 H new ATOM 844 N ILE A 56 8.135 -5.779 -15.535 1.00 42.10 N ATOM 845 CA ILE A 56 7.366 -5.080 -16.557 1.00 14.13 C ATOM 846 C ILE A 56 7.240 -3.596 -16.231 1.00 10.51 C ATOM 847 O ILE A 56 7.133 -2.759 -17.128 1.00 33.51 O ATOM 848 CB ILE A 56 5.956 -5.682 -16.710 1.00 2.52 C ATOM 849 CG1 ILE A 56 6.048 -7.164 -17.076 1.00 32.43 C ATOM 850 CG2 ILE A 56 5.166 -4.918 -17.763 1.00 21.55 C ATOM 851 CD1 ILE A 56 4.733 -7.901 -16.946 1.00 21.12 C ATOM 0 H ILE A 56 7.674 -6.604 -15.151 1.00 42.10 H new ATOM 0 HA ILE A 56 7.907 -5.199 -17.496 1.00 14.13 H new ATOM 0 HB ILE A 56 5.434 -5.595 -15.757 1.00 2.52 H new ATOM 0 HG12 ILE A 56 6.407 -7.255 -18.101 1.00 32.43 H new ATOM 0 HG13 ILE A 56 6.789 -7.643 -16.435 1.00 32.43 H new ATOM 0 HG21 ILE A 56 4.172 -5.355 -17.860 1.00 21.55 H new ATOM 0 HG22 ILE A 56 5.076 -3.874 -17.464 1.00 21.55 H new ATOM 0 HG23 ILE A 56 5.684 -4.978 -18.720 1.00 21.55 H new ATOM 0 HD11 ILE A 56 4.873 -8.946 -17.221 1.00 21.12 H new ATOM 0 HD12 ILE A 56 4.383 -7.841 -15.916 1.00 21.12 H new ATOM 0 HD13 ILE A 56 3.995 -7.447 -17.607 1.00 21.12 H new ATOM 863 N SER A 57 7.256 -3.275 -14.941 1.00 33.00 N ATOM 864 CA SER A 57 7.142 -1.891 -14.496 1.00 34.22 C ATOM 865 C SER A 57 8.191 -1.014 -15.172 1.00 71.55 C ATOM 866 O SER A 57 7.987 0.185 -15.361 1.00 43.03 O ATOM 867 CB SER A 57 7.294 -1.808 -12.976 1.00 4.02 C ATOM 868 OG SER A 57 6.405 -2.698 -12.324 1.00 61.44 O ATOM 0 H SER A 57 7.347 -3.955 -14.186 1.00 33.00 H new ATOM 0 HA SER A 57 6.154 -1.526 -14.776 1.00 34.22 H new ATOM 0 HB2 SER A 57 8.321 -2.045 -12.697 1.00 4.02 H new ATOM 0 HB3 SER A 57 7.101 -0.788 -12.643 1.00 4.02 H new ATOM 0 HG SER A 57 6.524 -2.627 -11.354 1.00 61.44 H new ATOM 874 N LYS A 58 9.315 -1.622 -15.536 1.00 23.22 N ATOM 875 CA LYS A 58 10.398 -0.900 -16.193 1.00 1.11 C ATOM 876 C LYS A 58 10.466 -1.252 -17.675 1.00 60.15 C ATOM 877 O LYS A 58 10.671 -0.382 -18.522 1.00 3.02 O ATOM 878 CB LYS A 58 11.735 -1.220 -15.520 1.00 34.51 C ATOM 879 CG LYS A 58 11.989 -0.414 -14.258 1.00 61.21 C ATOM 880 CD LYS A 58 11.065 -0.838 -13.129 1.00 75.34 C ATOM 881 CE LYS A 58 11.702 -0.604 -11.769 1.00 3.14 C ATOM 882 NZ LYS A 58 10.694 -0.620 -10.673 1.00 73.11 N ATOM 0 H LYS A 58 9.500 -2.614 -15.387 1.00 23.22 H new ATOM 0 HA LYS A 58 10.198 0.167 -16.100 1.00 1.11 H new ATOM 0 HB2 LYS A 58 11.764 -2.282 -15.275 1.00 34.51 H new ATOM 0 HB3 LYS A 58 12.542 -1.034 -16.228 1.00 34.51 H new ATOM 0 HG2 LYS A 58 13.026 -0.540 -13.947 1.00 61.21 H new ATOM 0 HG3 LYS A 58 11.846 0.646 -14.468 1.00 61.21 H new ATOM 0 HD2 LYS A 58 10.130 -0.282 -13.194 1.00 75.34 H new ATOM 0 HD3 LYS A 58 10.816 -1.894 -13.238 1.00 75.34 H new ATOM 0 HE2 LYS A 58 12.453 -1.372 -11.583 1.00 3.14 H new ATOM 0 HE3 LYS A 58 12.221 0.355 -11.771 1.00 3.14 H new ATOM 0 HZ1 LYS A 58 11.169 -0.457 -9.762 1.00 73.11 H new ATOM 0 HZ2 LYS A 58 9.992 0.129 -10.836 1.00 73.11 H new ATOM 0 HZ3 LYS A 58 10.217 -1.544 -10.654 1.00 73.11 H new ATOM 896 N VAL A 59 10.291 -2.533 -17.983 1.00 70.44 N ATOM 897 CA VAL A 59 10.330 -3.000 -19.364 1.00 72.02 C ATOM 898 C VAL A 59 9.348 -2.224 -20.234 1.00 41.55 C ATOM 899 O VAL A 59 9.556 -2.072 -21.438 1.00 53.25 O ATOM 900 CB VAL A 59 10.005 -4.503 -19.458 1.00 51.41 C ATOM 901 CG1 VAL A 59 10.020 -4.963 -20.908 1.00 4.21 C ATOM 902 CG2 VAL A 59 10.985 -5.312 -18.623 1.00 33.54 C ATOM 0 H VAL A 59 10.121 -3.266 -17.295 1.00 70.44 H new ATOM 0 HA VAL A 59 11.344 -2.832 -19.726 1.00 72.02 H new ATOM 0 HB VAL A 59 9.003 -4.666 -19.061 1.00 51.41 H new ATOM 0 HG11 VAL A 59 9.788 -6.027 -20.955 1.00 4.21 H new ATOM 0 HG12 VAL A 59 9.275 -4.404 -21.475 1.00 4.21 H new ATOM 0 HG13 VAL A 59 11.007 -4.788 -21.335 1.00 4.21 H new ATOM 0 HG21 VAL A 59 10.741 -6.372 -18.701 1.00 33.54 H new ATOM 0 HG22 VAL A 59 11.998 -5.145 -18.988 1.00 33.54 H new ATOM 0 HG23 VAL A 59 10.919 -5.000 -17.581 1.00 33.54 H new ATOM 912 N ARG A 60 8.278 -1.733 -19.617 1.00 63.21 N ATOM 913 CA ARG A 60 7.263 -0.972 -20.336 1.00 22.33 C ATOM 914 C ARG A 60 7.848 0.322 -20.894 1.00 14.14 C ATOM 915 O ARG A 60 7.354 0.860 -21.884 1.00 65.04 O ATOM 916 CB ARG A 60 6.084 -0.656 -19.414 1.00 22.45 C ATOM 917 CG ARG A 60 5.181 -1.850 -19.149 1.00 52.23 C ATOM 918 CD ARG A 60 4.219 -2.086 -20.303 1.00 32.50 C ATOM 919 NE ARG A 60 3.259 -0.996 -20.448 1.00 13.44 N ATOM 920 CZ ARG A 60 2.202 -0.837 -19.658 1.00 42.12 C ATOM 921 NH1 ARG A 60 1.972 -1.694 -18.673 1.00 52.02 N ATOM 922 NH2 ARG A 60 1.374 0.181 -19.853 1.00 11.20 N ATOM 0 H ARG A 60 8.092 -1.849 -18.621 1.00 63.21 H new ATOM 0 HA ARG A 60 6.911 -1.580 -21.169 1.00 22.33 H new ATOM 0 HB2 ARG A 60 6.466 -0.283 -18.464 1.00 22.45 H new ATOM 0 HB3 ARG A 60 5.492 0.145 -19.857 1.00 22.45 H new ATOM 0 HG2 ARG A 60 5.790 -2.741 -18.993 1.00 52.23 H new ATOM 0 HG3 ARG A 60 4.617 -1.685 -18.231 1.00 52.23 H new ATOM 0 HD2 ARG A 60 4.784 -2.197 -21.229 1.00 32.50 H new ATOM 0 HD3 ARG A 60 3.683 -3.022 -20.143 1.00 32.50 H new ATOM 0 HE ARG A 60 3.407 -0.319 -21.197 1.00 13.44 H new ATOM 0 HH11 ARG A 60 2.607 -2.478 -18.520 1.00 52.02 H new ATOM 0 HH12 ARG A 60 1.160 -1.570 -18.068 1.00 52.02 H new ATOM 0 HH21 ARG A 60 1.548 0.842 -20.610 1.00 11.20 H new ATOM 0 HH22 ARG A 60 0.563 0.302 -19.246 1.00 11.20 H new ATOM 936 N GLU A 61 8.900 0.816 -20.250 1.00 5.04 N ATOM 937 CA GLU A 61 9.550 2.048 -20.681 1.00 63.13 C ATOM 938 C GLU A 61 10.773 1.745 -21.543 1.00 11.11 C ATOM 939 O GLU A 61 11.071 2.470 -22.492 1.00 23.42 O ATOM 940 CB GLU A 61 9.962 2.886 -19.469 1.00 21.41 C ATOM 941 CG GLU A 61 8.808 3.216 -18.537 1.00 23.51 C ATOM 942 CD GLU A 61 8.108 4.507 -18.911 1.00 15.34 C ATOM 943 OE1 GLU A 61 8.262 4.952 -20.068 1.00 33.15 O ATOM 944 OE2 GLU A 61 7.406 5.074 -18.047 1.00 33.40 O ATOM 0 H GLU A 61 9.320 0.382 -19.428 1.00 5.04 H new ATOM 0 HA GLU A 61 8.836 2.615 -21.279 1.00 63.13 H new ATOM 0 HB2 GLU A 61 10.728 2.349 -18.910 1.00 21.41 H new ATOM 0 HB3 GLU A 61 10.414 3.815 -19.817 1.00 21.41 H new ATOM 0 HG2 GLU A 61 8.087 2.398 -18.553 1.00 23.51 H new ATOM 0 HG3 GLU A 61 9.181 3.292 -17.516 1.00 23.51 H new ATOM 951 N MET A 62 11.476 0.670 -21.204 1.00 64.41 N ATOM 952 CA MET A 62 12.666 0.270 -21.947 1.00 2.23 C ATOM 953 C MET A 62 12.297 -0.219 -23.344 1.00 14.15 C ATOM 954 O MET A 62 13.157 -0.342 -24.215 1.00 30.53 O ATOM 955 CB MET A 62 13.420 -0.827 -21.192 1.00 51.24 C ATOM 956 CG MET A 62 14.773 -1.162 -21.799 1.00 10.33 C ATOM 957 SD MET A 62 15.928 0.221 -21.725 1.00 63.33 S ATOM 958 CE MET A 62 15.938 0.560 -19.967 1.00 5.42 C ATOM 0 H MET A 62 11.243 0.060 -20.420 1.00 64.41 H new ATOM 0 HA MET A 62 13.312 1.142 -22.046 1.00 2.23 H new ATOM 0 HB2 MET A 62 13.562 -0.513 -20.158 1.00 51.24 H new ATOM 0 HB3 MET A 62 12.808 -1.728 -21.170 1.00 51.24 H new ATOM 0 HG2 MET A 62 15.201 -2.016 -21.274 1.00 10.33 H new ATOM 0 HG3 MET A 62 14.637 -1.462 -22.838 1.00 10.33 H new ATOM 0 HE1 MET A 62 15.390 1.482 -19.771 1.00 5.42 H new ATOM 0 HE2 MET A 62 15.464 -0.265 -19.435 1.00 5.42 H new ATOM 0 HE3 MET A 62 16.967 0.670 -19.623 1.00 5.42 H new ATOM 968 N GLN A 63 11.013 -0.496 -23.548 1.00 51.54 N ATOM 969 CA GLN A 63 10.531 -0.972 -24.840 1.00 22.15 C ATOM 970 C GLN A 63 10.143 0.196 -25.741 1.00 24.44 C ATOM 971 O GLN A 63 10.404 0.179 -26.944 1.00 24.13 O ATOM 972 CB GLN A 63 9.333 -1.904 -24.648 1.00 44.04 C ATOM 973 CG GLN A 63 8.150 -1.241 -23.963 1.00 53.41 C ATOM 974 CD GLN A 63 7.027 -2.215 -23.664 1.00 41.35 C ATOM 975 OE1 GLN A 63 7.366 -3.333 -23.034 1.00 1.00 O flip ATOM 976 NE2 GLN A 63 5.868 -1.965 -23.997 1.00 34.22 N flip ATOM 0 H GLN A 63 10.289 -0.399 -22.836 1.00 51.54 H new ATOM 0 HA GLN A 63 11.339 -1.524 -25.320 1.00 22.15 H new ATOM 0 HB2 GLN A 63 9.015 -2.279 -25.621 1.00 44.04 H new ATOM 0 HB3 GLN A 63 9.645 -2.767 -24.060 1.00 44.04 H new ATOM 0 HG2 GLN A 63 8.484 -0.782 -23.033 1.00 53.41 H new ATOM 0 HG3 GLN A 63 7.771 -0.439 -24.596 1.00 53.41 H new ATOM 0 HE21 GLN A 63 5.653 -1.093 -24.480 1.00 34.22 H new ATOM 0 HE22 GLN A 63 5.123 -2.630 -23.790 1.00 34.22 H new ATOM 985 N LYS A 64 9.518 1.209 -25.151 1.00 43.11 N ATOM 986 CA LYS A 64 9.095 2.387 -25.899 1.00 75.44 C ATOM 987 C LYS A 64 10.268 3.331 -26.138 1.00 2.32 C ATOM 988 O LYS A 64 10.262 4.117 -27.086 1.00 31.25 O ATOM 989 CB LYS A 64 7.981 3.120 -25.149 1.00 35.34 C ATOM 990 CG LYS A 64 7.713 4.520 -25.673 1.00 4.15 C ATOM 991 CD LYS A 64 8.509 5.563 -24.906 1.00 41.43 C ATOM 992 CE LYS A 64 7.640 6.748 -24.511 1.00 22.50 C ATOM 993 NZ LYS A 64 7.308 7.607 -25.681 1.00 4.11 N ATOM 0 H LYS A 64 9.293 1.238 -24.157 1.00 43.11 H new ATOM 0 HA LYS A 64 8.716 2.055 -26.866 1.00 75.44 H new ATOM 0 HB2 LYS A 64 7.064 2.535 -25.215 1.00 35.34 H new ATOM 0 HB3 LYS A 64 8.245 3.181 -24.093 1.00 35.34 H new ATOM 0 HG2 LYS A 64 7.971 4.569 -26.731 1.00 4.15 H new ATOM 0 HG3 LYS A 64 6.649 4.742 -25.594 1.00 4.15 H new ATOM 0 HD2 LYS A 64 8.937 5.110 -24.012 1.00 41.43 H new ATOM 0 HD3 LYS A 64 9.342 5.909 -25.518 1.00 41.43 H new ATOM 0 HE2 LYS A 64 6.719 6.386 -24.053 1.00 22.50 H new ATOM 0 HE3 LYS A 64 8.158 7.343 -23.759 1.00 22.50 H new ATOM 0 HZ1 LYS A 64 6.715 8.403 -25.370 1.00 4.11 H new ATOM 0 HZ2 LYS A 64 8.185 7.973 -26.103 1.00 4.11 H new ATOM 0 HZ3 LYS A 64 6.791 7.046 -26.388 1.00 4.11 H new ATOM 1007 N TRP A 65 11.273 3.248 -25.274 1.00 3.12 N ATOM 1008 CA TRP A 65 12.455 4.095 -25.392 1.00 53.21 C ATOM 1009 C TRP A 65 13.407 3.556 -26.454 1.00 11.21 C ATOM 1010 O TRP A 65 14.303 4.264 -26.916 1.00 13.32 O ATOM 1011 CB TRP A 65 13.175 4.193 -24.046 1.00 74.40 C ATOM 1012 CG TRP A 65 12.687 5.324 -23.192 1.00 71.22 C ATOM 1013 CD1 TRP A 65 11.425 5.493 -22.699 1.00 12.13 C ATOM 1014 CD2 TRP A 65 13.453 6.443 -22.733 1.00 52.14 C ATOM 1015 NE1 TRP A 65 11.360 6.650 -21.961 1.00 11.41 N ATOM 1016 CE2 TRP A 65 12.591 7.251 -21.966 1.00 30.00 C ATOM 1017 CE3 TRP A 65 14.783 6.840 -22.894 1.00 52.53 C ATOM 1018 CZ2 TRP A 65 13.018 8.432 -21.364 1.00 32.52 C ATOM 1019 CZ3 TRP A 65 15.205 8.013 -22.296 1.00 73.43 C ATOM 1020 CH2 TRP A 65 14.325 8.797 -21.538 1.00 21.40 C ATOM 0 H TRP A 65 11.294 2.603 -24.484 1.00 3.12 H new ATOM 0 HA TRP A 65 12.129 5.090 -25.694 1.00 53.21 H new ATOM 0 HB2 TRP A 65 13.046 3.256 -23.504 1.00 74.40 H new ATOM 0 HB3 TRP A 65 14.244 4.315 -24.222 1.00 74.40 H new ATOM 0 HD1 TRP A 65 10.599 4.817 -22.865 1.00 12.13 H new ATOM 0 HE1 TRP A 65 10.530 7.004 -21.486 1.00 11.41 H new ATOM 0 HE3 TRP A 65 15.469 6.241 -23.475 1.00 52.53 H new ATOM 0 HZ2 TRP A 65 12.341 9.038 -20.780 1.00 32.52 H new ATOM 0 HZ3 TRP A 65 16.230 8.330 -22.415 1.00 73.43 H new ATOM 0 HH2 TRP A 65 14.686 9.707 -21.082 1.00 21.40 H new ATOM 1031 N LEU A 66 13.208 2.300 -26.838 1.00 22.04 N ATOM 1032 CA LEU A 66 14.050 1.666 -27.846 1.00 71.14 C ATOM 1033 C LEU A 66 13.260 1.396 -29.123 1.00 42.43 C ATOM 1034 O LEU A 66 13.710 0.656 -29.997 1.00 51.23 O ATOM 1035 CB LEU A 66 14.630 0.358 -27.306 1.00 72.41 C ATOM 1036 CG LEU A 66 16.005 0.455 -26.645 1.00 43.44 C ATOM 1037 CD1 LEU A 66 16.380 -0.867 -25.995 1.00 23.20 C ATOM 1038 CD2 LEU A 66 17.058 0.868 -27.664 1.00 10.42 C ATOM 0 H LEU A 66 12.471 1.701 -26.467 1.00 22.04 H new ATOM 0 HA LEU A 66 14.867 2.348 -28.082 1.00 71.14 H new ATOM 0 HB2 LEU A 66 13.929 -0.055 -26.581 1.00 72.41 H new ATOM 0 HB3 LEU A 66 14.694 -0.354 -28.128 1.00 72.41 H new ATOM 0 HG LEU A 66 15.960 1.218 -25.868 1.00 43.44 H new ATOM 0 HD11 LEU A 66 17.362 -0.778 -25.530 1.00 23.20 H new ATOM 0 HD12 LEU A 66 15.641 -1.122 -25.236 1.00 23.20 H new ATOM 0 HD13 LEU A 66 16.407 -1.650 -26.753 1.00 23.20 H new ATOM 0 HD21 LEU A 66 18.031 0.932 -27.176 1.00 10.42 H new ATOM 0 HD22 LEU A 66 17.101 0.128 -28.463 1.00 10.42 H new ATOM 0 HD23 LEU A 66 16.797 1.840 -28.083 1.00 10.42 H new ATOM 1050 N GLU A 67 12.082 2.004 -29.224 1.00 1.02 N ATOM 1051 CA GLU A 67 11.231 1.830 -30.395 1.00 41.01 C ATOM 1052 C GLU A 67 11.317 3.045 -31.315 1.00 74.50 C ATOM 1053 O GLU A 67 11.334 2.911 -32.539 1.00 52.32 O ATOM 1054 CB GLU A 67 9.780 1.600 -29.969 1.00 14.52 C ATOM 1055 CG GLU A 67 8.794 1.627 -31.125 1.00 63.52 C ATOM 1056 CD GLU A 67 7.579 0.755 -30.876 1.00 32.12 C ATOM 1057 OE1 GLU A 67 7.296 0.454 -29.698 1.00 34.25 O ATOM 1058 OE2 GLU A 67 6.911 0.374 -31.860 1.00 13.02 O ATOM 0 H GLU A 67 11.696 2.621 -28.509 1.00 1.02 H new ATOM 0 HA GLU A 67 11.584 0.956 -30.942 1.00 41.01 H new ATOM 0 HB2 GLU A 67 9.707 0.637 -29.463 1.00 14.52 H new ATOM 0 HB3 GLU A 67 9.498 2.363 -29.244 1.00 14.52 H new ATOM 0 HG2 GLU A 67 8.471 2.653 -31.298 1.00 63.52 H new ATOM 0 HG3 GLU A 67 9.296 1.294 -32.033 1.00 63.52 H new ATOM 1065 N THR A 68 11.369 4.230 -30.716 1.00 44.54 N ATOM 1066 CA THR A 68 11.451 5.469 -31.480 1.00 42.11 C ATOM 1067 C THR A 68 12.458 6.432 -30.860 1.00 72.45 C ATOM 1068 O THR A 68 13.222 7.087 -31.569 1.00 71.34 O ATOM 1069 CB THR A 68 10.080 6.165 -31.570 1.00 1.43 C ATOM 1070 OG1 THR A 68 10.223 7.452 -32.181 1.00 42.32 O ATOM 1071 CG2 THR A 68 9.461 6.321 -30.189 1.00 32.41 C ATOM 0 H THR A 68 11.356 4.358 -29.704 1.00 44.54 H new ATOM 0 HA THR A 68 11.780 5.200 -32.484 1.00 42.11 H new ATOM 0 HB THR A 68 9.422 5.545 -32.179 1.00 1.43 H new ATOM 0 HG1 THR A 68 9.347 7.887 -32.236 1.00 42.32 H new ATOM 0 HG21 THR A 68 8.493 6.815 -30.278 1.00 32.41 H new ATOM 0 HG22 THR A 68 9.327 5.338 -29.737 1.00 32.41 H new ATOM 0 HG23 THR A 68 10.119 6.922 -29.561 1.00 32.41 H new ATOM 1079 N ARG A 69 12.454 6.512 -29.534 1.00 35.11 N ATOM 1080 CA ARG A 69 13.367 7.395 -28.819 1.00 54.40 C ATOM 1081 C ARG A 69 14.812 7.134 -29.233 1.00 32.21 C ATOM 1082 O ARG A 69 15.407 7.915 -29.974 1.00 61.21 O ATOM 1083 CB ARG A 69 13.215 7.206 -27.309 1.00 3.25 C ATOM 1084 CG ARG A 69 12.088 8.026 -26.702 1.00 4.11 C ATOM 1085 CD ARG A 69 12.387 9.516 -26.765 1.00 72.14 C ATOM 1086 NE ARG A 69 11.615 10.271 -25.782 1.00 51.12 N ATOM 1087 CZ ARG A 69 11.837 11.550 -25.498 1.00 70.43 C ATOM 1088 NH1 ARG A 69 12.803 12.212 -26.120 1.00 13.11 N ATOM 1089 NH2 ARG A 69 11.092 12.168 -24.591 1.00 52.22 N ATOM 0 H ARG A 69 11.828 5.976 -28.933 1.00 35.11 H new ATOM 0 HA ARG A 69 13.114 8.424 -29.076 1.00 54.40 H new ATOM 0 HB2 ARG A 69 13.039 6.151 -27.100 1.00 3.25 H new ATOM 0 HB3 ARG A 69 14.152 7.475 -26.822 1.00 3.25 H new ATOM 0 HG2 ARG A 69 11.159 7.818 -27.232 1.00 4.11 H new ATOM 0 HG3 ARG A 69 11.937 7.728 -25.665 1.00 4.11 H new ATOM 0 HD2 ARG A 69 13.451 9.680 -26.594 1.00 72.14 H new ATOM 0 HD3 ARG A 69 12.164 9.889 -27.765 1.00 72.14 H new ATOM 0 HE ARG A 69 10.864 9.790 -25.286 1.00 51.12 H new ATOM 0 HH11 ARG A 69 13.377 11.740 -26.818 1.00 13.11 H new ATOM 0 HH12 ARG A 69 12.972 13.194 -25.900 1.00 13.11 H new ATOM 0 HH21 ARG A 69 10.348 11.661 -24.111 1.00 52.22 H new ATOM 0 HH22 ARG A 69 11.263 13.150 -24.374 1.00 52.22 H new ATOM 1103 N GLY A 70 15.370 6.029 -28.748 1.00 5.03 N ATOM 1104 CA GLY A 70 16.741 5.684 -29.077 1.00 41.54 C ATOM 1105 C GLY A 70 17.706 6.821 -28.806 1.00 1.44 C ATOM 1106 O GLY A 70 17.406 7.727 -28.028 1.00 55.33 O ATOM 0 H GLY A 70 14.897 5.367 -28.133 1.00 5.03 H new ATOM 0 HA2 GLY A 70 17.042 4.811 -28.498 1.00 41.54 H new ATOM 0 HA3 GLY A 70 16.800 5.405 -30.129 1.00 41.54 H new ATOM 1110 N SER A 71 18.870 6.774 -29.446 1.00 31.40 N ATOM 1111 CA SER A 71 19.885 7.805 -29.265 1.00 31.11 C ATOM 1112 C SER A 71 19.737 8.903 -30.314 1.00 30.21 C ATOM 1113 O SER A 71 19.102 8.722 -31.353 1.00 42.33 O ATOM 1114 CB SER A 71 21.285 7.192 -29.345 1.00 55.42 C ATOM 1115 OG SER A 71 21.730 6.770 -28.068 1.00 44.21 O ATOM 0 H SER A 71 19.134 6.032 -30.095 1.00 31.40 H new ATOM 0 HA SER A 71 19.746 8.248 -28.279 1.00 31.11 H new ATOM 0 HB2 SER A 71 21.275 6.343 -30.029 1.00 55.42 H new ATOM 0 HB3 SER A 71 21.983 7.923 -29.754 1.00 55.42 H new ATOM 0 HG SER A 71 21.543 5.814 -27.956 1.00 44.21 H new ATOM 1121 N PRO A 72 20.337 10.070 -30.036 1.00 70.23 N ATOM 1122 CA PRO A 72 20.287 11.221 -30.943 1.00 24.31 C ATOM 1123 C PRO A 72 21.099 10.993 -32.213 1.00 45.34 C ATOM 1124 O PRO A 72 20.950 11.721 -33.194 1.00 42.12 O ATOM 1125 CB PRO A 72 20.899 12.353 -30.113 1.00 74.51 C ATOM 1126 CG PRO A 72 21.779 11.666 -29.127 1.00 2.13 C ATOM 1127 CD PRO A 72 21.110 10.356 -28.816 1.00 64.43 C ATOM 0 HA PRO A 72 19.273 11.426 -31.287 1.00 24.31 H new ATOM 0 HB2 PRO A 72 21.467 13.041 -30.739 1.00 74.51 H new ATOM 0 HB3 PRO A 72 20.128 12.940 -29.614 1.00 74.51 H new ATOM 0 HG2 PRO A 72 22.776 11.507 -29.538 1.00 2.13 H new ATOM 0 HG3 PRO A 72 21.898 12.267 -28.225 1.00 2.13 H new ATOM 0 HD2 PRO A 72 21.838 9.572 -28.609 1.00 64.43 H new ATOM 0 HD3 PRO A 72 20.465 10.432 -27.940 1.00 64.43 H new ATOM 1135 N GLU A 73 21.958 9.979 -32.188 1.00 22.32 N ATOM 1136 CA GLU A 73 22.794 9.657 -33.339 1.00 33.13 C ATOM 1137 C GLU A 73 22.053 8.741 -34.309 1.00 44.45 C ATOM 1138 O GLU A 73 21.982 9.017 -35.507 1.00 71.21 O ATOM 1139 CB GLU A 73 24.094 8.991 -32.883 1.00 34.41 C ATOM 1140 CG GLU A 73 24.999 9.909 -32.080 1.00 2.12 C ATOM 1141 CD GLU A 73 25.567 11.042 -32.912 1.00 40.22 C ATOM 1142 OE1 GLU A 73 26.582 10.818 -33.605 1.00 32.11 O ATOM 1143 OE2 GLU A 73 24.997 12.153 -32.871 1.00 65.41 O ATOM 0 H GLU A 73 22.093 9.366 -31.384 1.00 22.32 H new ATOM 0 HA GLU A 73 23.033 10.587 -33.855 1.00 33.13 H new ATOM 0 HB2 GLU A 73 23.852 8.116 -32.280 1.00 34.41 H new ATOM 0 HB3 GLU A 73 24.637 8.635 -33.759 1.00 34.41 H new ATOM 0 HG2 GLU A 73 24.438 10.324 -31.242 1.00 2.12 H new ATOM 0 HG3 GLU A 73 25.818 9.327 -31.658 1.00 2.12 H new ATOM 1150 N SER A 74 21.504 7.651 -33.784 1.00 5.04 N ATOM 1151 CA SER A 74 20.773 6.692 -34.603 1.00 42.03 C ATOM 1152 C SER A 74 19.304 7.087 -34.721 1.00 63.05 C ATOM 1153 O SER A 74 18.889 8.134 -34.224 1.00 10.02 O ATOM 1154 CB SER A 74 20.889 5.287 -34.008 1.00 41.41 C ATOM 1155 OG SER A 74 22.174 4.738 -34.243 1.00 42.33 O ATOM 0 H SER A 74 21.552 7.410 -32.794 1.00 5.04 H new ATOM 0 HA SER A 74 21.213 6.694 -35.600 1.00 42.03 H new ATOM 0 HB2 SER A 74 20.697 5.326 -32.936 1.00 41.41 H new ATOM 0 HB3 SER A 74 20.128 4.640 -34.445 1.00 41.41 H new ATOM 0 HG SER A 74 22.341 4.011 -33.607 1.00 42.33 H new ATOM 1161 N HIS A 75 18.522 6.241 -35.384 1.00 70.02 N ATOM 1162 CA HIS A 75 17.098 6.500 -35.568 1.00 44.22 C ATOM 1163 C HIS A 75 16.346 5.209 -35.874 1.00 61.32 C ATOM 1164 O HIS A 75 16.550 4.593 -36.921 1.00 44.51 O ATOM 1165 CB HIS A 75 16.884 7.509 -36.697 1.00 71.21 C ATOM 1166 CG HIS A 75 15.441 7.776 -36.996 1.00 33.53 C ATOM 1167 ND1 HIS A 75 14.740 8.826 -36.443 1.00 55.52 N ATOM 1168 CD2 HIS A 75 14.567 7.122 -37.796 1.00 72.33 C ATOM 1169 CE1 HIS A 75 13.496 8.806 -36.890 1.00 3.55 C ATOM 1170 NE2 HIS A 75 13.366 7.782 -37.713 1.00 34.13 N ATOM 0 H HIS A 75 18.850 5.371 -35.803 1.00 70.02 H new ATOM 0 HA HIS A 75 16.706 6.916 -34.640 1.00 44.22 H new ATOM 0 HB2 HIS A 75 17.371 8.447 -36.432 1.00 71.21 H new ATOM 0 HB3 HIS A 75 17.371 7.141 -37.600 1.00 71.21 H new ATOM 0 HD2 HIS A 75 14.776 6.244 -38.389 1.00 72.33 H new ATOM 0 HE1 HIS A 75 12.719 9.508 -36.627 1.00 3.55 H new ATOM 0 HE2 HIS A 75 12.512 7.523 -38.207 1.00 34.13 H new ATOM 1178 N ILE A 76 15.477 4.804 -34.954 1.00 61.32 N ATOM 1179 CA ILE A 76 14.695 3.586 -35.127 1.00 31.04 C ATOM 1180 C ILE A 76 13.432 3.854 -35.938 1.00 70.01 C ATOM 1181 O ILE A 76 12.359 4.080 -35.379 1.00 34.20 O ATOM 1182 CB ILE A 76 14.299 2.974 -33.770 1.00 3.24 C ATOM 1183 CG1 ILE A 76 15.544 2.731 -32.913 1.00 74.42 C ATOM 1184 CG2 ILE A 76 13.530 1.678 -33.977 1.00 64.11 C ATOM 1185 CD1 ILE A 76 15.753 3.777 -31.841 1.00 23.31 C ATOM 0 H ILE A 76 15.297 5.301 -34.082 1.00 61.32 H new ATOM 0 HA ILE A 76 15.327 2.879 -35.665 1.00 31.04 H new ATOM 0 HB ILE A 76 13.652 3.677 -33.246 1.00 3.24 H new ATOM 0 HG12 ILE A 76 15.466 1.751 -32.443 1.00 74.42 H new ATOM 0 HG13 ILE A 76 16.421 2.705 -33.560 1.00 74.42 H new ATOM 0 HG21 ILE A 76 13.257 1.258 -33.009 1.00 64.11 H new ATOM 0 HG22 ILE A 76 12.627 1.879 -34.553 1.00 64.11 H new ATOM 0 HG23 ILE A 76 14.154 0.967 -34.518 1.00 64.11 H new ATOM 0 HD11 ILE A 76 16.653 3.541 -31.273 1.00 23.31 H new ATOM 0 HD12 ILE A 76 15.863 4.757 -32.305 1.00 23.31 H new ATOM 0 HD13 ILE A 76 14.893 3.788 -31.171 1.00 23.31 H new ATOM 1197 N ASP A 77 13.567 3.826 -37.259 1.00 65.23 N ATOM 1198 CA ASP A 77 12.437 4.063 -38.149 1.00 73.21 C ATOM 1199 C ASP A 77 11.300 3.089 -37.854 1.00 52.22 C ATOM 1200 O ASP A 77 10.134 3.378 -38.126 1.00 62.01 O ATOM 1201 CB ASP A 77 12.873 3.930 -39.609 1.00 74.02 C ATOM 1202 CG ASP A 77 11.873 4.542 -40.570 1.00 15.51 C ATOM 1203 OD1 ASP A 77 10.922 5.199 -40.097 1.00 54.10 O ATOM 1204 OD2 ASP A 77 12.040 4.365 -41.795 1.00 23.52 O ATOM 0 H ASP A 77 14.449 3.641 -37.737 1.00 65.23 H new ATOM 0 HA ASP A 77 12.077 5.077 -37.977 1.00 73.21 H new ATOM 0 HB2 ASP A 77 13.842 4.412 -39.741 1.00 74.02 H new ATOM 0 HB3 ASP A 77 13.006 2.876 -39.851 1.00 74.02 H new ATOM 1209 N LYS A 78 11.647 1.934 -37.297 1.00 73.23 N ATOM 1210 CA LYS A 78 10.657 0.916 -36.965 1.00 15.52 C ATOM 1211 C LYS A 78 11.229 -0.100 -35.982 1.00 4.52 C ATOM 1212 O LYS A 78 12.446 -0.246 -35.865 1.00 34.32 O ATOM 1213 CB LYS A 78 10.182 0.203 -38.233 1.00 0.40 C ATOM 1214 CG LYS A 78 11.312 -0.187 -39.170 1.00 32.41 C ATOM 1215 CD LYS A 78 10.953 -1.411 -39.996 1.00 70.02 C ATOM 1216 CE LYS A 78 10.250 -1.024 -41.288 1.00 60.44 C ATOM 1217 NZ LYS A 78 9.455 -2.153 -41.846 1.00 74.03 N ATOM 0 H LYS A 78 12.607 1.679 -37.066 1.00 73.23 H new ATOM 0 HA LYS A 78 9.808 1.412 -36.495 1.00 15.52 H new ATOM 0 HB2 LYS A 78 9.629 -0.693 -37.951 1.00 0.40 H new ATOM 0 HB3 LYS A 78 9.487 0.852 -38.766 1.00 0.40 H new ATOM 0 HG2 LYS A 78 11.540 0.647 -39.834 1.00 32.41 H new ATOM 0 HG3 LYS A 78 12.213 -0.389 -38.591 1.00 32.41 H new ATOM 0 HD2 LYS A 78 11.858 -1.974 -40.227 1.00 70.02 H new ATOM 0 HD3 LYS A 78 10.309 -2.069 -39.413 1.00 70.02 H new ATOM 0 HE2 LYS A 78 9.593 -0.174 -41.104 1.00 60.44 H new ATOM 0 HE3 LYS A 78 10.989 -0.703 -42.022 1.00 60.44 H new ATOM 0 HZ1 LYS A 78 8.991 -1.849 -42.726 1.00 74.03 H new ATOM 0 HZ2 LYS A 78 10.085 -2.956 -42.046 1.00 74.03 H new ATOM 0 HZ3 LYS A 78 8.733 -2.443 -41.156 1.00 74.03 H new ATOM 1231 N ALA A 79 10.345 -0.799 -35.278 1.00 61.35 N ATOM 1232 CA ALA A 79 10.763 -1.804 -34.309 1.00 3.24 C ATOM 1233 C ALA A 79 9.630 -2.776 -34.002 1.00 74.51 C ATOM 1234 O ALA A 79 8.455 -2.417 -34.072 1.00 21.05 O ATOM 1235 CB ALA A 79 11.247 -1.134 -33.031 1.00 31.43 C ATOM 0 H ALA A 79 9.334 -0.688 -35.361 1.00 61.35 H new ATOM 0 HA ALA A 79 11.585 -2.372 -34.743 1.00 3.24 H new ATOM 0 HB1 ALA A 79 11.556 -1.896 -32.315 1.00 31.43 H new ATOM 0 HB2 ALA A 79 12.093 -0.485 -33.258 1.00 31.43 H new ATOM 0 HB3 ALA A 79 10.439 -0.541 -32.603 1.00 31.43 H new ATOM 1241 N ASN A 80 9.990 -4.010 -33.664 1.00 32.33 N ATOM 1242 CA ASN A 80 9.002 -5.035 -33.348 1.00 32.51 C ATOM 1243 C ASN A 80 9.553 -6.025 -32.326 1.00 73.51 C ATOM 1244 O ASN A 80 10.766 -6.141 -32.149 1.00 73.44 O ATOM 1245 CB ASN A 80 8.582 -5.777 -34.618 1.00 60.35 C ATOM 1246 CG ASN A 80 7.262 -6.505 -34.454 1.00 15.42 C ATOM 1247 OD1 ASN A 80 6.321 -5.979 -33.858 1.00 72.24 O ATOM 1248 ND2 ASN A 80 7.186 -7.721 -34.982 1.00 41.30 N ATOM 0 H ASN A 80 10.958 -4.324 -33.602 1.00 32.33 H new ATOM 0 HA ASN A 80 8.130 -4.543 -32.917 1.00 32.51 H new ATOM 0 HB2 ASN A 80 8.502 -5.066 -35.441 1.00 60.35 H new ATOM 0 HB3 ASN A 80 9.357 -6.493 -34.890 1.00 60.35 H new ATOM 0 HD21 ASN A 80 6.323 -8.259 -34.902 1.00 41.30 H new ATOM 0 HD22 ASN A 80 7.991 -8.117 -35.467 1.00 41.30 H new ATOM 1255 N PHE A 81 8.653 -6.738 -31.656 1.00 41.10 N ATOM 1256 CA PHE A 81 9.048 -7.718 -30.651 1.00 64.23 C ATOM 1257 C PHE A 81 8.723 -9.135 -31.116 1.00 10.30 C ATOM 1258 O PHE A 81 7.777 -9.350 -31.873 1.00 75.34 O ATOM 1259 CB PHE A 81 8.345 -7.431 -29.323 1.00 41.32 C ATOM 1260 CG PHE A 81 6.853 -7.586 -29.389 1.00 54.55 C ATOM 1261 CD1 PHE A 81 6.046 -6.511 -29.730 1.00 31.55 C ATOM 1262 CD2 PHE A 81 6.256 -8.805 -29.112 1.00 63.14 C ATOM 1263 CE1 PHE A 81 4.672 -6.651 -29.790 1.00 63.14 C ATOM 1264 CE2 PHE A 81 4.883 -8.951 -29.172 1.00 40.11 C ATOM 1265 CZ PHE A 81 4.090 -7.873 -29.513 1.00 2.54 C ATOM 0 H PHE A 81 7.645 -6.655 -31.791 1.00 41.10 H new ATOM 0 HA PHE A 81 10.126 -7.640 -30.507 1.00 64.23 H new ATOM 0 HB2 PHE A 81 8.739 -8.103 -28.560 1.00 41.32 H new ATOM 0 HB3 PHE A 81 8.583 -6.415 -29.007 1.00 41.32 H new ATOM 0 HD1 PHE A 81 6.496 -5.554 -29.951 1.00 31.55 H new ATOM 0 HD2 PHE A 81 6.871 -9.652 -28.846 1.00 63.14 H new ATOM 0 HE1 PHE A 81 4.054 -5.805 -30.053 1.00 63.14 H new ATOM 0 HE2 PHE A 81 4.431 -9.907 -28.952 1.00 40.11 H new ATOM 0 HZ PHE A 81 3.017 -7.985 -29.563 1.00 2.54 H new ATOM 1275 N LYS A 82 9.515 -10.098 -30.657 1.00 52.11 N ATOM 1276 CA LYS A 82 9.313 -11.495 -31.023 1.00 52.35 C ATOM 1277 C LYS A 82 8.258 -12.143 -30.133 1.00 74.53 C ATOM 1278 O LYS A 82 7.130 -12.380 -30.564 1.00 14.15 O ATOM 1279 CB LYS A 82 10.630 -12.267 -30.917 1.00 53.12 C ATOM 1280 CG LYS A 82 11.699 -11.781 -31.880 1.00 42.21 C ATOM 1281 CD LYS A 82 12.612 -12.914 -32.317 1.00 44.24 C ATOM 1282 CE LYS A 82 13.345 -13.527 -31.134 1.00 64.12 C ATOM 1283 NZ LYS A 82 12.590 -14.666 -30.543 1.00 55.12 N ATOM 0 H LYS A 82 10.303 -9.936 -30.030 1.00 52.11 H new ATOM 0 HA LYS A 82 8.962 -11.528 -32.055 1.00 52.35 H new ATOM 0 HB2 LYS A 82 11.007 -12.187 -29.898 1.00 53.12 H new ATOM 0 HB3 LYS A 82 10.438 -13.324 -31.103 1.00 53.12 H new ATOM 0 HG2 LYS A 82 11.226 -11.335 -32.755 1.00 42.21 H new ATOM 0 HG3 LYS A 82 12.290 -10.999 -31.404 1.00 42.21 H new ATOM 0 HD2 LYS A 82 12.025 -13.682 -32.820 1.00 44.24 H new ATOM 0 HD3 LYS A 82 13.336 -12.541 -33.041 1.00 44.24 H new ATOM 0 HE2 LYS A 82 14.328 -13.871 -31.455 1.00 64.12 H new ATOM 0 HE3 LYS A 82 13.507 -12.764 -30.372 1.00 64.12 H new ATOM 0 HZ1 LYS A 82 13.258 -15.357 -30.147 1.00 55.12 H new ATOM 0 HZ2 LYS A 82 11.967 -14.315 -29.788 1.00 55.12 H new ATOM 0 HZ3 LYS A 82 12.017 -15.123 -31.281 1.00 55.12 H new ATOM 1297 N ASN A 83 8.632 -12.428 -28.890 1.00 41.41 N ATOM 1298 CA ASN A 83 7.717 -13.048 -27.939 1.00 70.22 C ATOM 1299 C ASN A 83 8.288 -13.002 -26.525 1.00 51.31 C ATOM 1300 O ASN A 83 9.234 -13.720 -26.204 1.00 34.44 O ATOM 1301 CB ASN A 83 7.437 -14.498 -28.341 1.00 0.22 C ATOM 1302 CG ASN A 83 6.216 -15.066 -27.643 1.00 41.40 C ATOM 1303 OD1 ASN A 83 6.332 -15.901 -26.746 1.00 44.20 O ATOM 1304 ND2 ASN A 83 5.037 -14.614 -28.053 1.00 52.43 N ATOM 0 H ASN A 83 9.563 -12.239 -28.518 1.00 41.41 H new ATOM 0 HA ASN A 83 6.783 -12.487 -27.953 1.00 70.22 H new ATOM 0 HB2 ASN A 83 7.293 -14.552 -29.420 1.00 0.22 H new ATOM 0 HB3 ASN A 83 8.306 -15.112 -28.104 1.00 0.22 H new ATOM 0 HD21 ASN A 83 4.180 -14.959 -27.621 1.00 52.43 H new ATOM 0 HD22 ASN A 83 4.988 -13.921 -28.800 1.00 52.43 H new ATOM 1311 N GLU A 84 7.706 -12.151 -25.685 1.00 73.53 N ATOM 1312 CA GLU A 84 8.157 -12.012 -24.306 1.00 1.42 C ATOM 1313 C GLU A 84 8.058 -13.341 -23.563 1.00 61.25 C ATOM 1314 O GLU A 84 7.507 -14.314 -24.079 1.00 12.11 O ATOM 1315 CB GLU A 84 7.331 -10.947 -23.581 1.00 33.42 C ATOM 1316 CG GLU A 84 5.931 -11.410 -23.212 1.00 62.22 C ATOM 1317 CD GLU A 84 5.081 -11.724 -24.428 1.00 63.02 C ATOM 1318 OE1 GLU A 84 4.815 -10.798 -25.222 1.00 11.43 O ATOM 1319 OE2 GLU A 84 4.683 -12.897 -24.586 1.00 31.21 O ATOM 0 H GLU A 84 6.922 -11.548 -25.936 1.00 73.53 H new ATOM 0 HA GLU A 84 9.202 -11.703 -24.323 1.00 1.42 H new ATOM 0 HB2 GLU A 84 7.856 -10.647 -22.674 1.00 33.42 H new ATOM 0 HB3 GLU A 84 7.257 -10.063 -24.214 1.00 33.42 H new ATOM 0 HG2 GLU A 84 6.000 -12.297 -22.583 1.00 62.22 H new ATOM 0 HG3 GLU A 84 5.441 -10.637 -22.620 1.00 62.22 H new ATOM 1326 N LYS A 85 8.597 -13.376 -22.349 1.00 51.44 N ATOM 1327 CA LYS A 85 8.570 -14.584 -21.534 1.00 31.01 C ATOM 1328 C LYS A 85 8.435 -14.239 -20.054 1.00 53.12 C ATOM 1329 O LYS A 85 9.361 -13.704 -19.444 1.00 73.40 O ATOM 1330 CB LYS A 85 9.840 -15.407 -21.763 1.00 11.24 C ATOM 1331 CG LYS A 85 9.800 -16.248 -23.027 1.00 2.04 C ATOM 1332 CD LYS A 85 8.972 -17.507 -22.833 1.00 21.12 C ATOM 1333 CE LYS A 85 9.807 -18.640 -22.255 1.00 51.22 C ATOM 1334 NZ LYS A 85 10.923 -19.025 -23.163 1.00 1.24 N ATOM 0 H LYS A 85 9.058 -12.580 -21.908 1.00 51.44 H new ATOM 0 HA LYS A 85 7.703 -15.174 -21.832 1.00 31.01 H new ATOM 0 HB2 LYS A 85 10.696 -14.733 -21.812 1.00 11.24 H new ATOM 0 HB3 LYS A 85 9.998 -16.062 -20.906 1.00 11.24 H new ATOM 0 HG2 LYS A 85 9.383 -15.659 -23.844 1.00 2.04 H new ATOM 0 HG3 LYS A 85 10.815 -16.520 -23.316 1.00 2.04 H new ATOM 0 HD2 LYS A 85 8.135 -17.294 -22.168 1.00 21.12 H new ATOM 0 HD3 LYS A 85 8.549 -17.816 -23.789 1.00 21.12 H new ATOM 0 HE2 LYS A 85 10.212 -18.337 -21.290 1.00 51.22 H new ATOM 0 HE3 LYS A 85 9.170 -19.506 -22.075 1.00 51.22 H new ATOM 0 HZ1 LYS A 85 11.184 -20.017 -22.991 1.00 1.24 H new ATOM 0 HZ2 LYS A 85 10.621 -18.913 -24.152 1.00 1.24 H new ATOM 0 HZ3 LYS A 85 11.745 -18.415 -22.981 1.00 1.24 H new ATOM 1348 N VAL A 86 7.276 -14.549 -19.482 1.00 74.33 N ATOM 1349 CA VAL A 86 7.020 -14.274 -18.073 1.00 64.34 C ATOM 1350 C VAL A 86 7.849 -15.187 -17.176 1.00 73.45 C ATOM 1351 O VAL A 86 7.597 -16.390 -17.096 1.00 73.02 O ATOM 1352 CB VAL A 86 5.529 -14.449 -17.728 1.00 65.05 C ATOM 1353 CG1 VAL A 86 5.254 -13.995 -16.303 1.00 41.53 C ATOM 1354 CG2 VAL A 86 4.661 -13.686 -18.717 1.00 43.24 C ATOM 0 H VAL A 86 6.499 -14.991 -19.973 1.00 74.33 H new ATOM 0 HA VAL A 86 7.306 -13.237 -17.896 1.00 64.34 H new ATOM 0 HB VAL A 86 5.278 -15.507 -17.801 1.00 65.05 H new ATOM 0 HG11 VAL A 86 4.196 -14.126 -16.077 1.00 41.53 H new ATOM 0 HG12 VAL A 86 5.849 -14.590 -15.610 1.00 41.53 H new ATOM 0 HG13 VAL A 86 5.520 -12.943 -16.199 1.00 41.53 H new ATOM 0 HG21 VAL A 86 3.611 -13.821 -18.459 1.00 43.24 H new ATOM 0 HG22 VAL A 86 4.911 -12.626 -18.678 1.00 43.24 H new ATOM 0 HG23 VAL A 86 4.838 -14.064 -19.724 1.00 43.24 H new ATOM 1364 N ILE A 87 8.837 -14.608 -16.504 1.00 22.35 N ATOM 1365 CA ILE A 87 9.702 -15.370 -15.611 1.00 13.13 C ATOM 1366 C ILE A 87 9.434 -15.015 -14.152 1.00 24.31 C ATOM 1367 O ILE A 87 8.801 -14.002 -13.854 1.00 35.12 O ATOM 1368 CB ILE A 87 11.190 -15.124 -15.923 1.00 33.03 C ATOM 1369 CG1 ILE A 87 11.512 -13.631 -15.834 1.00 51.12 C ATOM 1370 CG2 ILE A 87 11.538 -15.666 -17.301 1.00 4.11 C ATOM 1371 CD1 ILE A 87 12.963 -13.308 -16.114 1.00 71.24 C ATOM 0 H ILE A 87 9.059 -13.614 -16.560 1.00 22.35 H new ATOM 0 HA ILE A 87 9.475 -16.424 -15.774 1.00 13.13 H new ATOM 0 HB ILE A 87 11.794 -15.651 -15.184 1.00 33.03 H new ATOM 0 HG12 ILE A 87 10.885 -13.089 -16.542 1.00 51.12 H new ATOM 0 HG13 ILE A 87 11.254 -13.271 -14.838 1.00 51.12 H new ATOM 0 HG21 ILE A 87 12.593 -15.485 -17.507 1.00 4.11 H new ATOM 0 HG22 ILE A 87 11.341 -16.738 -17.331 1.00 4.11 H new ATOM 0 HG23 ILE A 87 10.930 -15.164 -18.054 1.00 4.11 H new ATOM 0 HD11 ILE A 87 13.118 -12.232 -16.033 1.00 71.24 H new ATOM 0 HD12 ILE A 87 13.596 -13.821 -15.390 1.00 71.24 H new ATOM 0 HD13 ILE A 87 13.221 -13.637 -17.120 1.00 71.24 H new ATOM 1383 N LEU A 88 9.923 -15.855 -13.246 1.00 1.12 N ATOM 1384 CA LEU A 88 9.739 -15.630 -11.816 1.00 41.32 C ATOM 1385 C LEU A 88 10.894 -14.816 -11.240 1.00 74.21 C ATOM 1386 O LEU A 88 10.706 -14.011 -10.328 1.00 31.13 O ATOM 1387 CB LEU A 88 9.624 -16.966 -11.080 1.00 42.41 C ATOM 1388 CG LEU A 88 8.762 -16.964 -9.817 1.00 61.22 C ATOM 1389 CD1 LEU A 88 8.175 -18.345 -9.570 1.00 54.04 C ATOM 1390 CD2 LEU A 88 9.577 -16.507 -8.616 1.00 55.50 C ATOM 0 H LEU A 88 10.450 -16.698 -13.476 1.00 1.12 H new ATOM 0 HA LEU A 88 8.817 -15.066 -11.677 1.00 41.32 H new ATOM 0 HB2 LEU A 88 9.219 -17.705 -11.771 1.00 42.41 H new ATOM 0 HB3 LEU A 88 10.627 -17.297 -10.811 1.00 42.41 H new ATOM 0 HG LEU A 88 7.940 -16.262 -9.962 1.00 61.22 H new ATOM 0 HD11 LEU A 88 7.565 -18.325 -8.667 1.00 54.04 H new ATOM 0 HD12 LEU A 88 7.557 -18.635 -10.420 1.00 54.04 H new ATOM 0 HD13 LEU A 88 8.982 -19.067 -9.446 1.00 54.04 H new ATOM 0 HD21 LEU A 88 8.948 -16.512 -7.726 1.00 55.50 H new ATOM 0 HD22 LEU A 88 10.419 -17.184 -8.469 1.00 55.50 H new ATOM 0 HD23 LEU A 88 9.949 -15.498 -8.792 1.00 55.50 H new ATOM 1402 N LYS A 89 12.089 -15.030 -11.780 1.00 74.21 N ATOM 1403 CA LYS A 89 13.274 -14.315 -11.323 1.00 64.13 C ATOM 1404 C LYS A 89 14.255 -14.098 -12.471 1.00 72.04 C ATOM 1405 O LYS A 89 14.094 -14.664 -13.554 1.00 3.32 O ATOM 1406 CB LYS A 89 13.958 -15.089 -10.194 1.00 23.01 C ATOM 1407 CG LYS A 89 13.199 -15.044 -8.879 1.00 60.22 C ATOM 1408 CD LYS A 89 14.061 -15.518 -7.721 1.00 40.00 C ATOM 1409 CE LYS A 89 13.440 -15.159 -6.380 1.00 55.52 C ATOM 1410 NZ LYS A 89 14.379 -15.401 -5.250 1.00 70.35 N ATOM 0 H LYS A 89 12.262 -15.693 -12.535 1.00 74.21 H new ATOM 0 HA LYS A 89 12.958 -13.341 -10.949 1.00 64.13 H new ATOM 0 HB2 LYS A 89 14.079 -16.129 -10.499 1.00 23.01 H new ATOM 0 HB3 LYS A 89 14.958 -14.683 -10.041 1.00 23.01 H new ATOM 0 HG2 LYS A 89 12.860 -14.026 -8.688 1.00 60.22 H new ATOM 0 HG3 LYS A 89 12.308 -15.669 -8.950 1.00 60.22 H new ATOM 0 HD2 LYS A 89 14.194 -16.598 -7.784 1.00 40.00 H new ATOM 0 HD3 LYS A 89 15.052 -15.069 -7.796 1.00 40.00 H new ATOM 0 HE2 LYS A 89 13.143 -14.110 -6.387 1.00 55.52 H new ATOM 0 HE3 LYS A 89 12.534 -15.746 -6.231 1.00 55.52 H new ATOM 0 HZ1 LYS A 89 13.918 -15.144 -4.354 1.00 70.35 H new ATOM 0 HZ2 LYS A 89 14.643 -16.407 -5.227 1.00 70.35 H new ATOM 0 HZ3 LYS A 89 15.233 -14.822 -5.378 1.00 70.35 H new ATOM 1424 N LEU A 90 15.271 -13.277 -12.228 1.00 74.15 N ATOM 1425 CA LEU A 90 16.279 -12.987 -13.242 1.00 52.41 C ATOM 1426 C LEU A 90 17.559 -13.773 -12.978 1.00 74.44 C ATOM 1427 O LEU A 90 17.721 -14.377 -11.918 1.00 34.13 O ATOM 1428 CB LEU A 90 16.585 -11.488 -13.271 1.00 35.13 C ATOM 1429 CG LEU A 90 15.384 -10.562 -13.469 1.00 2.21 C ATOM 1430 CD1 LEU A 90 14.744 -10.224 -12.131 1.00 41.13 C ATOM 1431 CD2 LEU A 90 15.804 -9.293 -14.197 1.00 71.20 C ATOM 0 H LEU A 90 15.419 -12.801 -11.338 1.00 74.15 H new ATOM 0 HA LEU A 90 15.882 -13.290 -14.211 1.00 52.41 H new ATOM 0 HB2 LEU A 90 17.075 -11.219 -12.335 1.00 35.13 H new ATOM 0 HB3 LEU A 90 17.300 -11.299 -14.071 1.00 35.13 H new ATOM 0 HG LEU A 90 14.646 -11.081 -14.081 1.00 2.21 H new ATOM 0 HD11 LEU A 90 13.891 -9.564 -12.292 1.00 41.13 H new ATOM 0 HD12 LEU A 90 14.407 -11.141 -11.647 1.00 41.13 H new ATOM 0 HD13 LEU A 90 15.474 -9.724 -11.494 1.00 41.13 H new ATOM 0 HD21 LEU A 90 14.937 -8.646 -14.329 1.00 71.20 H new ATOM 0 HD22 LEU A 90 16.561 -8.771 -13.611 1.00 71.20 H new ATOM 0 HD23 LEU A 90 16.215 -9.552 -15.172 1.00 71.20 H new ATOM 1443 N ASP A 91 18.466 -13.760 -13.949 1.00 35.20 N ATOM 1444 CA ASP A 91 19.733 -14.470 -13.821 1.00 1.33 C ATOM 1445 C ASP A 91 20.896 -13.489 -13.711 1.00 2.23 C ATOM 1446 O ASP A 91 21.980 -13.845 -13.247 1.00 12.42 O ATOM 1447 CB ASP A 91 19.945 -15.399 -15.017 1.00 30.33 C ATOM 1448 CG ASP A 91 21.041 -16.418 -14.771 1.00 53.12 C ATOM 1449 OD1 ASP A 91 20.835 -17.320 -13.932 1.00 64.11 O ATOM 1450 OD2 ASP A 91 22.103 -16.314 -15.419 1.00 1.52 O ATOM 0 H ASP A 91 18.347 -13.266 -14.833 1.00 35.20 H new ATOM 0 HA ASP A 91 19.696 -15.067 -12.910 1.00 1.33 H new ATOM 0 HB2 ASP A 91 19.013 -15.919 -15.240 1.00 30.33 H new ATOM 0 HB3 ASP A 91 20.196 -14.804 -15.895 1.00 30.33 H new ATOM 1455 N TYR A 92 20.664 -12.254 -14.141 1.00 43.31 N ATOM 1456 CA TYR A 92 21.694 -11.222 -14.094 1.00 73.24 C ATOM 1457 C TYR A 92 21.391 -10.199 -13.004 1.00 31.33 C ATOM 1458 O TYR A 92 20.296 -10.180 -12.442 1.00 31.24 O ATOM 1459 CB TYR A 92 21.805 -10.521 -15.450 1.00 20.45 C ATOM 1460 CG TYR A 92 22.348 -11.408 -16.547 1.00 24.30 C ATOM 1461 CD1 TYR A 92 21.608 -12.479 -17.032 1.00 54.04 C ATOM 1462 CD2 TYR A 92 23.603 -11.176 -17.098 1.00 33.43 C ATOM 1463 CE1 TYR A 92 22.100 -13.292 -18.034 1.00 62.55 C ATOM 1464 CE2 TYR A 92 24.103 -11.984 -18.101 1.00 54.41 C ATOM 1465 CZ TYR A 92 23.348 -13.040 -18.566 1.00 32.41 C ATOM 1466 OH TYR A 92 23.843 -13.848 -19.564 1.00 51.22 O ATOM 0 H TYR A 92 19.772 -11.943 -14.526 1.00 43.31 H new ATOM 0 HA TYR A 92 22.644 -11.703 -13.862 1.00 73.24 H new ATOM 0 HB2 TYR A 92 20.820 -10.157 -15.743 1.00 20.45 H new ATOM 0 HB3 TYR A 92 22.450 -9.649 -15.347 1.00 20.45 H new ATOM 0 HD1 TYR A 92 20.631 -12.679 -16.618 1.00 54.04 H new ATOM 0 HD2 TYR A 92 24.197 -10.350 -16.736 1.00 33.43 H new ATOM 0 HE1 TYR A 92 21.511 -14.120 -18.399 1.00 62.55 H new ATOM 0 HE2 TYR A 92 25.080 -11.790 -18.519 1.00 54.41 H new ATOM 0 HH TYR A 92 23.266 -13.783 -20.354 1.00 51.22 H new ATOM 1476 N SER A 93 22.370 -9.349 -12.710 1.00 71.53 N ATOM 1477 CA SER A 93 22.211 -8.325 -11.685 1.00 51.20 C ATOM 1478 C SER A 93 22.121 -6.937 -12.313 1.00 22.30 C ATOM 1479 O SER A 93 21.553 -6.015 -11.728 1.00 50.23 O ATOM 1480 CB SER A 93 23.379 -8.376 -10.698 1.00 14.22 C ATOM 1481 OG SER A 93 23.476 -9.651 -10.088 1.00 74.31 O ATOM 0 H SER A 93 23.282 -9.350 -13.168 1.00 71.53 H new ATOM 0 HA SER A 93 21.283 -8.523 -11.149 1.00 51.20 H new ATOM 0 HB2 SER A 93 24.309 -8.147 -11.218 1.00 14.22 H new ATOM 0 HB3 SER A 93 23.245 -7.612 -9.932 1.00 14.22 H new ATOM 0 HG SER A 93 24.231 -9.658 -9.463 1.00 74.31 H new ATOM 1487 N ASP A 94 22.686 -6.798 -13.507 1.00 44.20 N ATOM 1488 CA ASP A 94 22.670 -5.524 -14.216 1.00 42.34 C ATOM 1489 C ASP A 94 22.859 -5.734 -15.716 1.00 31.14 C ATOM 1490 O ASP A 94 23.304 -6.795 -16.153 1.00 21.41 O ATOM 1491 CB ASP A 94 23.764 -4.601 -13.677 1.00 22.24 C ATOM 1492 CG ASP A 94 23.649 -3.189 -14.216 1.00 13.02 C ATOM 1493 OD1 ASP A 94 24.220 -2.917 -15.292 1.00 5.42 O ATOM 1494 OD2 ASP A 94 22.987 -2.356 -13.561 1.00 43.22 O ATOM 0 H ASP A 94 23.161 -7.552 -14.004 1.00 44.20 H new ATOM 0 HA ASP A 94 21.699 -5.058 -14.051 1.00 42.34 H new ATOM 0 HB2 ASP A 94 23.711 -4.577 -12.589 1.00 22.24 H new ATOM 0 HB3 ASP A 94 24.740 -5.008 -13.939 1.00 22.24 H new ATOM 1499 N PHE A 95 22.516 -4.716 -16.498 1.00 63.34 N ATOM 1500 CA PHE A 95 22.646 -4.790 -17.949 1.00 71.30 C ATOM 1501 C PHE A 95 24.107 -4.668 -18.371 1.00 61.54 C ATOM 1502 O PHE A 95 24.786 -3.704 -18.021 1.00 41.34 O ATOM 1503 CB PHE A 95 21.818 -3.688 -18.613 1.00 73.31 C ATOM 1504 CG PHE A 95 21.313 -4.058 -19.979 1.00 22.14 C ATOM 1505 CD1 PHE A 95 22.173 -4.088 -21.065 1.00 22.34 C ATOM 1506 CD2 PHE A 95 19.979 -4.376 -20.176 1.00 62.02 C ATOM 1507 CE1 PHE A 95 21.711 -4.427 -22.322 1.00 62.53 C ATOM 1508 CE2 PHE A 95 19.511 -4.716 -21.432 1.00 25.44 C ATOM 1509 CZ PHE A 95 20.379 -4.743 -22.506 1.00 21.12 C ATOM 0 H PHE A 95 22.146 -3.831 -16.152 1.00 63.34 H new ATOM 0 HA PHE A 95 22.272 -5.761 -18.273 1.00 71.30 H new ATOM 0 HB2 PHE A 95 20.969 -3.447 -17.973 1.00 73.31 H new ATOM 0 HB3 PHE A 95 22.425 -2.786 -18.691 1.00 73.31 H new ATOM 0 HD1 PHE A 95 23.216 -3.844 -20.927 1.00 22.34 H new ATOM 0 HD2 PHE A 95 19.297 -4.358 -19.339 1.00 62.02 H new ATOM 0 HE1 PHE A 95 22.391 -4.445 -23.161 1.00 62.53 H new ATOM 0 HE2 PHE A 95 18.468 -4.960 -21.573 1.00 25.44 H new ATOM 0 HZ PHE A 95 20.017 -5.011 -23.488 1.00 21.12 H new ATOM 1519 N GLN A 96 24.583 -5.654 -19.125 1.00 60.32 N ATOM 1520 CA GLN A 96 25.964 -5.658 -19.594 1.00 74.32 C ATOM 1521 C GLN A 96 26.023 -5.795 -21.112 1.00 75.31 C ATOM 1522 O GLN A 96 25.055 -6.221 -21.744 1.00 42.54 O ATOM 1523 CB GLN A 96 26.745 -6.798 -18.937 1.00 15.42 C ATOM 1524 CG GLN A 96 28.241 -6.542 -18.856 1.00 71.20 C ATOM 1525 CD GLN A 96 28.581 -5.326 -18.017 1.00 30.42 C ATOM 1526 OE1 GLN A 96 27.715 -4.753 -17.355 1.00 44.52 O ATOM 1527 NE2 GLN A 96 29.847 -4.927 -18.039 1.00 40.53 N ATOM 0 H GLN A 96 24.033 -6.460 -19.424 1.00 60.32 H new ATOM 0 HA GLN A 96 26.418 -4.707 -19.315 1.00 74.32 H new ATOM 0 HB2 GLN A 96 26.358 -6.961 -17.931 1.00 15.42 H new ATOM 0 HB3 GLN A 96 26.572 -7.717 -19.498 1.00 15.42 H new ATOM 0 HG2 GLN A 96 28.733 -7.418 -18.435 1.00 71.20 H new ATOM 0 HG3 GLN A 96 28.637 -6.407 -19.862 1.00 71.20 H new ATOM 0 HE21 GLN A 96 30.531 -5.432 -18.602 1.00 40.53 H new ATOM 0 HE22 GLN A 96 30.135 -4.115 -17.493 1.00 40.53 H new ATOM 1536 N ILE A 97 27.162 -5.432 -21.690 1.00 65.31 N ATOM 1537 CA ILE A 97 27.347 -5.516 -23.134 1.00 11.34 C ATOM 1538 C ILE A 97 28.177 -6.738 -23.512 1.00 41.51 C ATOM 1539 O ILE A 97 29.104 -7.118 -22.797 1.00 11.35 O ATOM 1540 CB ILE A 97 28.031 -4.252 -23.688 1.00 24.24 C ATOM 1541 CG1 ILE A 97 27.204 -3.009 -23.353 1.00 23.20 C ATOM 1542 CG2 ILE A 97 28.230 -4.374 -25.191 1.00 5.30 C ATOM 1543 CD1 ILE A 97 27.846 -1.717 -23.806 1.00 51.51 C ATOM 0 H ILE A 97 27.971 -5.077 -21.181 1.00 65.31 H new ATOM 0 HA ILE A 97 26.354 -5.605 -23.575 1.00 11.34 H new ATOM 0 HB ILE A 97 29.010 -4.151 -23.219 1.00 24.24 H new ATOM 0 HG12 ILE A 97 26.222 -3.100 -23.817 1.00 23.20 H new ATOM 0 HG13 ILE A 97 27.045 -2.968 -22.275 1.00 23.20 H new ATOM 0 HG21 ILE A 97 28.714 -3.473 -25.568 1.00 5.30 H new ATOM 0 HG22 ILE A 97 28.856 -5.240 -25.406 1.00 5.30 H new ATOM 0 HG23 ILE A 97 27.262 -4.496 -25.677 1.00 5.30 H new ATOM 0 HD11 ILE A 97 27.205 -0.878 -23.536 1.00 51.51 H new ATOM 0 HD12 ILE A 97 28.816 -1.603 -23.322 1.00 51.51 H new ATOM 0 HD13 ILE A 97 27.981 -1.737 -24.887 1.00 51.51 H new ATOM 1555 N VAL A 98 27.839 -7.348 -24.643 1.00 63.43 N ATOM 1556 CA VAL A 98 28.555 -8.526 -25.119 1.00 42.05 C ATOM 1557 C VAL A 98 29.654 -8.141 -26.104 1.00 55.50 C ATOM 1558 O VAL A 98 29.468 -7.261 -26.946 1.00 20.23 O ATOM 1559 CB VAL A 98 27.601 -9.527 -25.798 1.00 11.22 C ATOM 1560 CG1 VAL A 98 28.360 -10.763 -26.255 1.00 43.22 C ATOM 1561 CG2 VAL A 98 26.468 -9.905 -24.855 1.00 64.13 C ATOM 0 H VAL A 98 27.074 -7.046 -25.247 1.00 63.43 H new ATOM 0 HA VAL A 98 29.003 -8.998 -24.245 1.00 42.05 H new ATOM 0 HB VAL A 98 27.168 -9.051 -26.678 1.00 11.22 H new ATOM 0 HG11 VAL A 98 27.669 -11.458 -26.732 1.00 43.22 H new ATOM 0 HG12 VAL A 98 29.133 -10.473 -26.967 1.00 43.22 H new ATOM 0 HG13 VAL A 98 28.823 -11.245 -25.394 1.00 43.22 H new ATOM 0 HG21 VAL A 98 25.803 -10.613 -25.350 1.00 64.13 H new ATOM 0 HG22 VAL A 98 26.880 -10.363 -23.956 1.00 64.13 H new ATOM 0 HG23 VAL A 98 25.908 -9.011 -24.583 1.00 64.13 H new ATOM 1571 N LYS A 99 30.799 -8.805 -25.994 1.00 0.33 N ATOM 1572 CA LYS A 99 31.929 -8.534 -26.875 1.00 33.31 C ATOM 1573 C LYS A 99 32.579 -9.833 -27.340 1.00 23.22 C ATOM 1574 O LYS A 99 32.571 -10.834 -26.623 1.00 24.13 O ATOM 1575 CB LYS A 99 32.962 -7.661 -26.160 1.00 23.23 C ATOM 1576 CG LYS A 99 32.706 -6.171 -26.307 1.00 22.32 C ATOM 1577 CD LYS A 99 33.515 -5.365 -25.305 1.00 45.21 C ATOM 1578 CE LYS A 99 32.837 -5.324 -23.945 1.00 13.44 C ATOM 1579 NZ LYS A 99 33.802 -5.020 -22.852 1.00 40.31 N ATOM 0 H LYS A 99 30.969 -9.535 -25.303 1.00 0.33 H new ATOM 0 HA LYS A 99 31.556 -8.001 -27.750 1.00 33.31 H new ATOM 0 HB2 LYS A 99 32.970 -7.917 -25.100 1.00 23.23 H new ATOM 0 HB3 LYS A 99 33.953 -7.891 -26.551 1.00 23.23 H new ATOM 0 HG2 LYS A 99 32.960 -5.855 -27.319 1.00 22.32 H new ATOM 0 HG3 LYS A 99 31.644 -5.968 -26.167 1.00 22.32 H new ATOM 0 HD2 LYS A 99 34.509 -5.801 -25.204 1.00 45.21 H new ATOM 0 HD3 LYS A 99 33.648 -4.349 -25.677 1.00 45.21 H new ATOM 0 HE2 LYS A 99 32.050 -4.570 -23.954 1.00 13.44 H new ATOM 0 HE3 LYS A 99 32.357 -6.283 -23.749 1.00 13.44 H new ATOM 0 HZ1 LYS A 99 33.300 -5.001 -21.941 1.00 40.31 H new ATOM 0 HZ2 LYS A 99 34.539 -5.753 -22.826 1.00 40.31 H new ATOM 0 HZ3 LYS A 99 34.241 -4.093 -23.025 1.00 40.31 H new TER 1593 LYS A 99