USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1045 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 83 LYS NZ :NH3+ -159:sc= -1.42 (180deg=-2.39!) USER MOD Set 1.2: A 86 GLN :FLIP amide:sc= -1.23 F(o=-3.4!,f=-2.6) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -161:sc=-0.00283 (180deg=-0.569) USER MOD Set 2.2: A 75 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= -0.126 USER MOD Set 3.2: A 38 ASN : amide:sc= -1.04! C(o=-0.32!,f=-8.6!) USER MOD Set 3.3: A 40 ASN : amide:sc= 0.835 K(o=-0.32,f=-1.9) USER MOD Set 3.4: A 42 THR OG1 : rot 180:sc= 0.0122 USER MOD Set 4.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= 0.111 USER MOD Set 4.3: A 77 SER OG : rot -18:sc= 0.939 USER MOD Set 4.4: A 81 GLN :FLIP amide:sc= -0.359 F(o=0.066,f=0.69) USER MOD Set 5.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 15 SER OG : rot 52:sc= 0.174 USER MOD Set 6.1: A 10 LYS NZ :NH3+ 174:sc= 0.836 (180deg=0) USER MOD Set 6.2: A 21 ASN : amide:sc= -0.278 K(o=0.56,f=-6.9!) USER MOD Set 7.1: A 9 THR OG1 : rot 171:sc= 0.756 USER MOD Set 7.2: A 22 GLN :FLIP amide:sc= -3.96! C(o=-6.1!,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0131 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.233! X(o=0.23!,f=0.012) USER MOD Single : A 17 SER OG : rot 180:sc= 0.553 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 29 ASN : amide:sc= -3.71! C(o=-3.7!,f=-6.9!) USER MOD Single : A 30 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -0.211 (180deg=-0.867) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.88) USER MOD Single : A 46 ASN : amide:sc= -5.72! C(o=-5.7!,f=-13!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.483 F(o=-2.4,f=-0.48) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -0.217 (180deg=-2.08!) USER MOD Single : A 65 SER OG : rot 78:sc= -0.0323 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -11! C(o=-15!,f=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -0.0968 (180deg=-0.588) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -161:sc=-9.09e-05 (180deg=-0.00631) USER MOD Single : A 80 THR OG1 : rot 100:sc= 1.21 USER MOD Single : A 89 ASN : amide:sc= -7.11! C(o=-7.1!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -0.361 K(o=-0.36,f=-9.8!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -162:sc= 1.17 (180deg=0.741) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0038) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 157:sc= -0.129 (180deg=-0.529) USER MOD Single : A 119 THR OG1 : rot -72:sc= -0.0947! USER MOD Single : A 121 ASN : amide:sc= -4.43! C(o=-4.4!,f=-8.1!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -149:sc= 0.592 (180deg=-0.231) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.463 9.137 -9.632 1.00 22.48 N ATOM 2 CA GLY A 1 -34.564 8.199 -10.772 1.00 22.34 C ATOM 3 C GLY A 1 -33.432 7.193 -10.779 1.00 22.10 C ATOM 4 O GLY A 1 -33.011 6.715 -9.725 1.00 22.12 O ATOM 0 H1 GLY A 1 -35.409 9.298 -9.230 1.00 22.48 H new ATOM 0 H2 GLY A 1 -33.842 8.732 -8.903 1.00 22.48 H new ATOM 0 H3 GLY A 1 -34.067 10.041 -9.960 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -35.517 7.672 -10.725 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -34.556 8.761 -11.706 1.00 22.34 H new ATOM 10 N HIS A 2 -32.929 6.878 -11.963 1.00 21.98 N ATOM 11 CA HIS A 2 -31.852 5.910 -12.102 1.00 21.88 C ATOM 12 C HIS A 2 -30.792 6.444 -13.061 1.00 21.50 C ATOM 13 O HIS A 2 -30.819 6.150 -14.256 1.00 21.64 O ATOM 14 CB HIS A 2 -32.407 4.572 -12.607 1.00 22.32 C ATOM 15 CG HIS A 2 -31.412 3.449 -12.593 1.00 22.67 C ATOM 16 ND1 HIS A 2 -30.561 3.181 -13.643 1.00 22.91 N ATOM 17 CD2 HIS A 2 -31.148 2.514 -11.651 1.00 22.94 C ATOM 18 CE1 HIS A 2 -29.818 2.132 -13.348 1.00 23.31 C ATOM 19 NE2 HIS A 2 -30.152 1.709 -12.145 1.00 23.33 N ATOM 0 H HIS A 2 -33.251 7.280 -12.844 1.00 21.98 H new ATOM 0 HA HIS A 2 -31.391 5.748 -11.127 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -33.263 4.292 -11.993 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -32.774 4.705 -13.625 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -31.631 2.419 -10.690 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -29.064 1.694 -13.984 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -29.738 0.913 -11.660 1.00 23.33 H new ATOM 28 N MET A 3 -29.874 7.244 -12.538 1.00 21.13 N ATOM 29 CA MET A 3 -28.826 7.837 -13.359 1.00 20.87 C ATOM 30 C MET A 3 -27.450 7.571 -12.761 1.00 20.26 C ATOM 31 O MET A 3 -26.656 6.807 -13.314 1.00 20.24 O ATOM 32 CB MET A 3 -29.045 9.346 -13.509 1.00 21.09 C ATOM 33 CG MET A 3 -30.333 9.713 -14.229 1.00 21.38 C ATOM 34 SD MET A 3 -30.548 11.495 -14.400 1.00 21.89 S ATOM 35 CE MET A 3 -32.131 11.558 -15.238 1.00 22.11 C ATOM 0 H MET A 3 -29.833 7.498 -11.551 1.00 21.13 H new ATOM 0 HA MET A 3 -28.873 7.374 -14.344 1.00 20.87 H new ATOM 0 HB2 MET A 3 -29.051 9.803 -12.519 1.00 21.09 H new ATOM 0 HB3 MET A 3 -28.202 9.773 -14.052 1.00 21.09 H new ATOM 0 HG2 MET A 3 -30.336 9.254 -15.218 1.00 21.38 H new ATOM 0 HG3 MET A 3 -31.181 9.299 -13.683 1.00 21.38 H new ATOM 0 HE1 MET A 3 -32.407 12.597 -15.417 1.00 22.11 H new ATOM 0 HE2 MET A 3 -32.060 11.032 -16.190 1.00 22.11 H new ATOM 0 HE3 MET A 3 -32.891 11.083 -14.617 1.00 22.11 H new ATOM 45 N GLN A 4 -27.175 8.197 -11.623 1.00 19.88 N ATOM 46 CA GLN A 4 -25.891 8.040 -10.949 1.00 19.37 C ATOM 47 C GLN A 4 -26.106 7.794 -9.461 1.00 18.69 C ATOM 48 O GLN A 4 -25.712 8.606 -8.622 1.00 18.61 O ATOM 49 CB GLN A 4 -25.014 9.284 -11.143 1.00 19.44 C ATOM 50 CG GLN A 4 -24.694 9.601 -12.595 1.00 19.70 C ATOM 51 CD GLN A 4 -23.762 10.791 -12.747 1.00 20.20 C ATOM 52 OE1 GLN A 4 -23.830 11.726 -11.814 1.00 20.59 O flip ATOM 53 NE2 GLN A 4 -22.981 10.866 -13.698 1.00 20.31 N flip ATOM 0 H GLN A 4 -27.826 8.820 -11.146 1.00 19.88 H new ATOM 0 HA GLN A 4 -25.381 7.183 -11.389 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -25.517 10.142 -10.698 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -24.080 9.145 -10.599 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -24.239 8.727 -13.061 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -25.622 9.801 -13.131 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -22.957 10.125 -14.398 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -22.358 11.669 -13.785 1.00 20.31 H new ATOM 62 N VAL A 5 -26.746 6.680 -9.135 1.00 18.32 N ATOM 63 CA VAL A 5 -27.032 6.352 -7.745 1.00 17.78 C ATOM 64 C VAL A 5 -25.947 5.449 -7.164 1.00 17.06 C ATOM 65 O VAL A 5 -25.710 5.440 -5.953 1.00 16.99 O ATOM 66 CB VAL A 5 -28.410 5.667 -7.592 1.00 18.09 C ATOM 67 CG1 VAL A 5 -28.748 5.435 -6.125 1.00 18.26 C ATOM 68 CG2 VAL A 5 -29.496 6.494 -8.261 1.00 18.37 C ATOM 0 H VAL A 5 -27.076 5.991 -9.810 1.00 18.32 H new ATOM 0 HA VAL A 5 -27.051 7.292 -7.194 1.00 17.78 H new ATOM 0 HB VAL A 5 -28.357 4.696 -8.085 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -29.722 4.952 -6.048 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -27.989 4.796 -5.674 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -28.775 6.391 -5.602 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -30.458 5.995 -8.142 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -29.539 7.480 -7.799 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -29.271 6.600 -9.322 1.00 18.37 H new ATOM 78 N ALA A 6 -25.284 4.703 -8.053 1.00 16.65 N ATOM 79 CA ALA A 6 -24.229 3.765 -7.672 1.00 16.09 C ATOM 80 C ALA A 6 -24.764 2.707 -6.713 1.00 15.56 C ATOM 81 O ALA A 6 -24.071 2.280 -5.792 1.00 15.23 O ATOM 82 CB ALA A 6 -23.043 4.503 -7.059 1.00 16.02 C ATOM 0 H ALA A 6 -25.465 4.734 -9.056 1.00 16.65 H new ATOM 0 HA ALA A 6 -23.884 3.260 -8.574 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -22.271 3.785 -6.783 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -22.639 5.209 -7.785 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -23.370 5.043 -6.170 1.00 16.02 H new ATOM 88 N ARG A 7 -25.992 2.266 -6.971 1.00 15.63 N ATOM 89 CA ARG A 7 -26.705 1.342 -6.091 1.00 15.34 C ATOM 90 C ARG A 7 -25.968 0.010 -5.960 1.00 14.74 C ATOM 91 O ARG A 7 -26.072 -0.667 -4.936 1.00 14.45 O ATOM 92 CB ARG A 7 -28.116 1.097 -6.631 1.00 15.83 C ATOM 93 CG ARG A 7 -29.031 0.361 -5.667 1.00 16.12 C ATOM 94 CD ARG A 7 -29.540 1.281 -4.566 1.00 16.49 C ATOM 95 NE ARG A 7 -30.387 2.348 -5.100 1.00 16.78 N ATOM 96 CZ ARG A 7 -31.277 3.031 -4.378 1.00 17.15 C ATOM 97 NH1 ARG A 7 -31.421 2.780 -3.081 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -32.021 3.965 -4.954 1.00 17.53 N ATOM 0 H ARG A 7 -26.523 2.539 -7.798 1.00 15.63 H new ATOM 0 HA ARG A 7 -26.760 1.797 -5.102 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -28.568 2.056 -6.883 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -28.045 0.525 -7.556 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -29.877 -0.056 -6.214 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -28.494 -0.477 -5.223 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -30.104 0.699 -3.837 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -28.693 1.719 -4.037 1.00 16.49 H new ATOM 0 HE ARG A 7 -30.291 2.585 -6.087 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -30.850 2.063 -2.634 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -32.103 3.305 -2.533 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -31.913 4.161 -5.949 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -32.701 4.487 -4.402 1.00 17.53 H new ATOM 112 N SER A 8 -25.234 -0.364 -7.003 1.00 14.73 N ATOM 113 CA SER A 8 -24.482 -1.613 -7.005 1.00 14.36 C ATOM 114 C SER A 8 -23.384 -1.596 -5.943 1.00 13.83 C ATOM 115 O SER A 8 -22.973 -2.644 -5.444 1.00 13.83 O ATOM 116 CB SER A 8 -23.880 -1.859 -8.386 1.00 14.71 C ATOM 117 OG SER A 8 -24.894 -1.871 -9.375 1.00 15.09 O ATOM 0 H SER A 8 -25.144 0.182 -7.860 1.00 14.73 H new ATOM 0 HA SER A 8 -25.168 -2.425 -6.766 1.00 14.36 H new ATOM 0 HB2 SER A 8 -23.150 -1.082 -8.615 1.00 14.71 H new ATOM 0 HB3 SER A 8 -23.346 -2.809 -8.392 1.00 14.71 H new ATOM 0 HG SER A 8 -24.491 -2.028 -10.255 1.00 15.09 H new ATOM 123 N THR A 9 -22.916 -0.405 -5.604 1.00 13.57 N ATOM 124 CA THR A 9 -21.922 -0.248 -4.560 1.00 13.24 C ATOM 125 C THR A 9 -22.562 0.302 -3.295 1.00 12.78 C ATOM 126 O THR A 9 -22.593 -0.363 -2.255 1.00 12.86 O ATOM 127 CB THR A 9 -20.791 0.700 -4.990 1.00 13.31 C ATOM 128 OG1 THR A 9 -20.067 0.142 -6.097 1.00 13.75 O ATOM 129 CG2 THR A 9 -19.854 0.956 -3.821 1.00 13.07 C ATOM 0 H THR A 9 -23.211 0.469 -6.040 1.00 13.57 H new ATOM 0 HA THR A 9 -21.501 -1.235 -4.370 1.00 13.24 H new ATOM 0 HB THR A 9 -21.227 1.648 -5.305 1.00 13.31 H new ATOM 0 HG1 THR A 9 -19.448 0.812 -6.454 1.00 13.75 H new ATOM 0 HG21 THR A 9 -19.056 1.629 -4.135 1.00 13.07 H new ATOM 0 HG22 THR A 9 -20.410 1.411 -3.002 1.00 13.07 H new ATOM 0 HG23 THR A 9 -19.423 0.012 -3.487 1.00 13.07 H new ATOM 137 N LYS A 10 -23.082 1.516 -3.396 1.00 12.51 N ATOM 138 CA LYS A 10 -23.683 2.184 -2.263 1.00 12.26 C ATOM 139 C LYS A 10 -25.079 1.642 -2.038 1.00 11.57 C ATOM 140 O LYS A 10 -26.071 2.213 -2.495 1.00 11.56 O ATOM 141 CB LYS A 10 -23.718 3.697 -2.479 1.00 12.85 C ATOM 142 CG LYS A 10 -22.352 4.291 -2.784 1.00 13.32 C ATOM 143 CD LYS A 10 -22.351 5.807 -2.670 1.00 13.86 C ATOM 144 CE LYS A 10 -22.638 6.254 -1.246 1.00 14.21 C ATOM 145 NZ LYS A 10 -22.290 7.682 -1.032 1.00 14.58 N1+ ATOM 0 H LYS A 10 -23.097 2.058 -4.260 1.00 12.51 H new ATOM 0 HA LYS A 10 -23.079 1.990 -1.377 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -24.397 3.924 -3.300 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -24.124 4.175 -1.588 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -21.615 3.875 -2.097 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -22.048 4.003 -3.790 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -21.384 6.197 -2.988 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -23.100 6.225 -3.343 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -23.694 6.101 -1.023 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -22.072 5.634 -0.550 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -22.594 7.975 -0.081 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -21.261 7.806 -1.120 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -22.771 8.267 -1.745 1.00 14.58 H new ATOM 159 N GLU A 11 -25.130 0.508 -1.363 1.00 11.20 N ATOM 160 CA GLU A 11 -26.388 -0.161 -1.064 1.00 10.71 C ATOM 161 C GLU A 11 -27.173 0.596 0.001 1.00 9.66 C ATOM 162 O GLU A 11 -27.313 0.146 1.140 1.00 9.26 O ATOM 163 CB GLU A 11 -26.130 -1.602 -0.627 1.00 11.05 C ATOM 164 CG GLU A 11 -25.393 -2.415 -1.679 1.00 11.92 C ATOM 165 CD GLU A 11 -25.158 -3.850 -1.265 1.00 12.59 C ATOM 166 OE1 GLU A 11 -26.047 -4.692 -1.499 1.00 13.16 O ATOM 167 OE2 GLU A 11 -24.074 -4.148 -0.719 1.00 12.70 O1- ATOM 0 H GLU A 11 -24.305 0.025 -1.007 1.00 11.20 H new ATOM 0 HA GLU A 11 -26.991 -0.176 -1.972 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -25.549 -1.598 0.295 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -27.081 -2.084 -0.403 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -25.965 -2.400 -2.607 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -24.433 -1.942 -1.888 1.00 11.92 H new ATOM 174 N ILE A 12 -27.664 1.763 -0.384 1.00 9.40 N ATOM 175 CA ILE A 12 -28.507 2.569 0.476 1.00 8.58 C ATOM 176 C ILE A 12 -29.905 1.975 0.524 1.00 8.21 C ATOM 177 O ILE A 12 -30.696 2.148 -0.404 1.00 8.57 O ATOM 178 CB ILE A 12 -28.591 4.023 -0.026 1.00 8.89 C ATOM 179 CG1 ILE A 12 -27.193 4.645 -0.095 1.00 9.53 C ATOM 180 CG2 ILE A 12 -29.503 4.836 0.880 1.00 8.32 C ATOM 181 CD1 ILE A 12 -27.170 6.022 -0.725 1.00 10.10 C ATOM 0 H ILE A 12 -27.488 2.175 -1.300 1.00 9.40 H new ATOM 0 HA ILE A 12 -28.066 2.573 1.473 1.00 8.58 H new ATOM 0 HB ILE A 12 -29.013 4.027 -1.031 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -26.783 4.709 0.913 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -26.539 3.984 -0.663 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -29.556 5.862 0.517 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -30.501 4.399 0.878 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -29.106 4.830 1.895 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -26.147 6.399 -0.739 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -27.549 5.962 -1.745 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -27.797 6.698 -0.144 1.00 10.10 H new ATOM 193 N GLU A 13 -30.194 1.249 1.587 1.00 7.77 N ATOM 194 CA GLU A 13 -31.477 0.599 1.727 1.00 7.68 C ATOM 195 C GLU A 13 -32.134 0.995 3.040 1.00 6.98 C ATOM 196 O GLU A 13 -33.197 1.614 3.052 1.00 6.99 O ATOM 197 CB GLU A 13 -31.294 -0.911 1.663 1.00 8.41 C ATOM 198 CG GLU A 13 -30.416 -1.361 0.510 1.00 9.30 C ATOM 199 CD GLU A 13 -30.442 -2.856 0.295 1.00 10.20 C ATOM 200 OE1 GLU A 13 -30.666 -3.286 -0.855 1.00 10.61 O ATOM 201 OE2 GLU A 13 -30.251 -3.613 1.270 1.00 10.66 O1- ATOM 0 H GLU A 13 -29.554 1.096 2.366 1.00 7.77 H new ATOM 0 HA GLU A 13 -32.126 0.916 0.911 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -30.857 -1.257 2.600 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -32.271 -1.385 1.573 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -30.742 -0.863 -0.403 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -29.390 -1.044 0.697 1.00 9.30 H new ATOM 208 N THR A 14 -31.488 0.650 4.146 1.00 6.67 N ATOM 209 CA THR A 14 -32.005 0.986 5.463 1.00 6.26 C ATOM 210 C THR A 14 -30.933 0.802 6.540 1.00 5.40 C ATOM 211 O THR A 14 -30.660 1.724 7.315 1.00 5.42 O ATOM 212 CB THR A 14 -33.280 0.169 5.805 1.00 6.72 C ATOM 213 OG1 THR A 14 -33.639 0.343 7.181 1.00 7.42 O ATOM 214 CG2 THR A 14 -33.098 -1.313 5.509 1.00 7.00 C ATOM 0 H THR A 14 -30.606 0.138 4.156 1.00 6.67 H new ATOM 0 HA THR A 14 -32.286 2.039 5.441 1.00 6.26 H new ATOM 0 HB THR A 14 -34.082 0.548 5.171 1.00 6.72 H new ATOM 0 HG1 THR A 14 -34.445 -0.178 7.377 1.00 7.42 H new ATOM 0 HG21 THR A 14 -34.012 -1.850 5.762 1.00 7.00 H new ATOM 0 HG22 THR A 14 -32.879 -1.448 4.450 1.00 7.00 H new ATOM 0 HG23 THR A 14 -32.272 -1.704 6.103 1.00 7.00 H new ATOM 222 N SER A 15 -30.309 -0.369 6.566 1.00 5.02 N ATOM 223 CA SER A 15 -29.280 -0.668 7.549 1.00 4.54 C ATOM 224 C SER A 15 -28.611 -1.998 7.228 1.00 3.88 C ATOM 225 O SER A 15 -28.939 -3.033 7.815 1.00 4.02 O ATOM 226 CB SER A 15 -29.882 -0.694 8.959 1.00 5.20 C ATOM 227 OG SER A 15 -31.046 -1.508 9.011 1.00 6.06 O ATOM 0 H SER A 15 -30.500 -1.129 5.913 1.00 5.02 H new ATOM 0 HA SER A 15 -28.523 0.116 7.511 1.00 4.54 H new ATOM 0 HB2 SER A 15 -29.142 -1.070 9.665 1.00 5.20 H new ATOM 0 HB3 SER A 15 -30.132 0.321 9.268 1.00 5.20 H new ATOM 0 HG SER A 15 -30.848 -2.387 8.626 1.00 6.06 H new ATOM 233 N GLN A 16 -27.693 -1.972 6.276 1.00 3.65 N ATOM 234 CA GLN A 16 -26.968 -3.169 5.896 1.00 3.49 C ATOM 235 C GLN A 16 -25.658 -3.250 6.660 1.00 2.88 C ATOM 236 O GLN A 16 -25.457 -4.149 7.477 1.00 3.21 O ATOM 237 CB GLN A 16 -26.705 -3.177 4.397 1.00 4.06 C ATOM 238 CG GLN A 16 -26.026 -4.442 3.908 1.00 4.50 C ATOM 239 CD GLN A 16 -25.856 -4.457 2.408 1.00 5.43 C ATOM 240 OE1 GLN A 16 -26.738 -4.908 1.680 1.00 5.86 O ATOM 241 NE2 GLN A 16 -24.720 -3.971 1.937 1.00 6.06 N ATOM 0 H GLN A 16 -27.434 -1.135 5.754 1.00 3.65 H new ATOM 0 HA GLN A 16 -27.575 -4.039 6.145 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -27.651 -3.055 3.870 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -26.084 -2.319 4.141 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -25.049 -4.535 4.383 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -26.613 -5.308 4.214 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -24.016 -3.607 2.579 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -24.548 -3.960 0.932 1.00 6.06 H new ATOM 250 N SER A 17 -24.779 -2.298 6.397 1.00 2.48 N ATOM 251 CA SER A 17 -23.500 -2.226 7.077 1.00 2.00 C ATOM 252 C SER A 17 -22.891 -0.837 6.914 1.00 1.45 C ATOM 253 O SER A 17 -23.163 0.072 7.701 1.00 1.99 O ATOM 254 CB SER A 17 -22.551 -3.307 6.538 1.00 2.29 C ATOM 255 OG SER A 17 -22.483 -3.274 5.118 1.00 2.91 O ATOM 0 H SER A 17 -24.931 -1.559 5.711 1.00 2.48 H new ATOM 0 HA SER A 17 -23.655 -2.406 8.141 1.00 2.00 H new ATOM 0 HB2 SER A 17 -21.555 -3.160 6.955 1.00 2.29 H new ATOM 0 HB3 SER A 17 -22.892 -4.289 6.865 1.00 2.29 H new ATOM 0 HG SER A 17 -21.871 -3.971 4.804 1.00 2.91 H new ATOM 261 N THR A 18 -22.103 -0.679 5.865 1.00 1.04 N ATOM 262 CA THR A 18 -21.422 0.568 5.560 1.00 0.58 C ATOM 263 C THR A 18 -21.085 0.617 4.085 1.00 0.63 C ATOM 264 O THR A 18 -21.809 1.191 3.273 1.00 1.40 O ATOM 265 CB THR A 18 -20.118 0.720 6.371 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.412 -0.526 6.404 1.00 1.44 O ATOM 267 CG2 THR A 18 -20.375 1.208 7.787 1.00 1.26 C ATOM 0 H THR A 18 -21.915 -1.422 5.192 1.00 1.04 H new ATOM 0 HA THR A 18 -22.094 1.384 5.828 1.00 0.58 H new ATOM 0 HB THR A 18 -19.511 1.474 5.871 1.00 0.91 H new ATOM 0 HG1 THR A 18 -18.585 -0.420 6.919 1.00 1.44 H new ATOM 0 HG21 THR A 18 -19.427 1.299 8.318 1.00 1.26 H new ATOM 0 HG22 THR A 18 -20.867 2.180 7.753 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.015 0.495 8.307 1.00 1.26 H new ATOM 275 N THR A 19 -19.990 -0.041 3.780 1.00 0.61 N ATOM 276 CA THR A 19 -19.430 -0.127 2.437 1.00 0.56 C ATOM 277 C THR A 19 -18.999 1.232 1.901 1.00 0.64 C ATOM 278 O THR A 19 -19.506 2.282 2.295 1.00 1.25 O ATOM 279 CB THR A 19 -20.387 -0.814 1.444 1.00 0.63 C ATOM 280 OG1 THR A 19 -20.900 -2.025 2.019 1.00 0.66 O ATOM 281 CG2 THR A 19 -19.650 -1.142 0.153 1.00 0.66 C ATOM 0 H THR A 19 -19.443 -0.549 4.475 1.00 0.61 H new ATOM 0 HA THR A 19 -18.540 -0.750 2.529 1.00 0.56 H new ATOM 0 HB THR A 19 -21.213 -0.137 1.226 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.509 -2.456 1.384 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.334 -1.627 -0.543 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.270 -0.223 -0.293 1.00 0.66 H new ATOM 0 HG23 THR A 19 -18.817 -1.811 0.369 1.00 0.66 H new ATOM 289 N ALA A 20 -18.019 1.190 1.020 1.00 0.26 N ATOM 290 CA ALA A 20 -17.383 2.379 0.514 1.00 0.22 C ATOM 291 C ALA A 20 -18.034 2.863 -0.755 1.00 0.24 C ATOM 292 O ALA A 20 -19.121 2.434 -1.136 1.00 0.39 O ATOM 293 CB ALA A 20 -15.931 2.091 0.262 1.00 0.31 C ATOM 0 H ALA A 20 -17.643 0.323 0.636 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.488 3.167 1.260 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.443 2.987 -0.121 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.453 1.788 1.194 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.841 1.288 -0.470 1.00 0.31 H new ATOM 299 N ASN A 21 -17.338 3.766 -1.391 1.00 0.23 N ATOM 300 CA ASN A 21 -17.744 4.341 -2.640 1.00 0.24 C ATOM 301 C ASN A 21 -16.725 3.884 -3.662 1.00 0.25 C ATOM 302 O ASN A 21 -15.553 3.792 -3.348 1.00 0.26 O ATOM 303 CB ASN A 21 -17.732 5.870 -2.504 1.00 0.27 C ATOM 304 CG ASN A 21 -18.541 6.360 -1.308 1.00 0.35 C ATOM 305 OD1 ASN A 21 -19.645 6.874 -1.469 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.016 6.172 -0.095 1.00 0.35 N ATOM 0 H ASN A 21 -16.451 4.130 -1.044 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.748 4.036 -2.936 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.702 6.214 -2.407 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.132 6.315 -3.415 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -18.535 6.458 0.735 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.096 5.742 0.002 1.00 0.35 H new ATOM 313 N GLN A 22 -17.136 3.560 -4.866 1.00 0.34 N ATOM 314 CA GLN A 22 -16.168 3.112 -5.855 1.00 0.40 C ATOM 315 C GLN A 22 -15.375 4.284 -6.382 1.00 0.42 C ATOM 316 O GLN A 22 -14.363 4.106 -7.042 1.00 0.48 O ATOM 317 CB GLN A 22 -16.845 2.379 -7.005 1.00 0.51 C ATOM 318 CG GLN A 22 -16.488 0.910 -7.093 1.00 0.51 C ATOM 319 CD GLN A 22 -16.492 0.258 -5.741 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.380 0.388 -5.055 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.485 -0.322 -5.308 1.00 0.38 N flip ATOM 0 H GLN A 22 -18.105 3.594 -5.184 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.490 2.414 -5.363 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.925 2.474 -6.897 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -16.574 2.865 -7.942 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -17.198 0.401 -7.745 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.503 0.801 -7.547 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.324 -0.395 -5.883 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -17.470 -0.731 -4.374 1.00 0.38 H new ATOM 330 N SER A 23 -15.825 5.480 -6.062 1.00 0.41 N ATOM 331 CA SER A 23 -15.075 6.664 -6.353 1.00 0.47 C ATOM 332 C SER A 23 -14.049 6.860 -5.262 1.00 0.41 C ATOM 333 O SER A 23 -13.167 7.712 -5.346 1.00 0.49 O ATOM 334 CB SER A 23 -16.013 7.862 -6.475 1.00 0.52 C ATOM 335 OG SER A 23 -17.037 7.796 -5.491 1.00 1.36 O ATOM 0 H SER A 23 -16.717 5.648 -5.596 1.00 0.41 H new ATOM 0 HA SER A 23 -14.557 6.565 -7.307 1.00 0.47 H new ATOM 0 HB2 SER A 23 -15.448 8.787 -6.359 1.00 0.52 H new ATOM 0 HB3 SER A 23 -16.458 7.883 -7.470 1.00 0.52 H new ATOM 0 HG SER A 23 -17.629 8.572 -5.582 1.00 1.36 H new ATOM 341 N ASP A 24 -14.185 6.042 -4.234 1.00 0.31 N ATOM 342 CA ASP A 24 -13.237 5.991 -3.169 1.00 0.34 C ATOM 343 C ASP A 24 -12.260 4.905 -3.451 1.00 0.35 C ATOM 344 O ASP A 24 -11.048 5.097 -3.527 1.00 0.53 O ATOM 345 CB ASP A 24 -13.914 5.621 -1.873 1.00 0.36 C ATOM 346 CG ASP A 24 -13.376 6.412 -0.752 1.00 0.86 C ATOM 347 OD1 ASP A 24 -14.016 7.422 -0.386 1.00 1.27 O ATOM 348 OD2 ASP A 24 -12.301 6.058 -0.268 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.967 5.395 -4.127 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.762 6.969 -3.089 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.988 5.788 -1.959 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.772 4.559 -1.675 1.00 0.36 H new ATOM 353 N VAL A 25 -12.852 3.758 -3.666 1.00 0.22 N ATOM 354 CA VAL A 25 -12.150 2.522 -3.612 1.00 0.20 C ATOM 355 C VAL A 25 -11.243 2.368 -4.804 1.00 0.22 C ATOM 356 O VAL A 25 -10.094 1.965 -4.679 1.00 0.23 O ATOM 357 CB VAL A 25 -13.131 1.357 -3.539 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.423 0.037 -3.733 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.879 1.384 -2.230 1.00 0.85 C ATOM 0 H VAL A 25 -13.844 3.666 -3.885 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.535 2.519 -2.712 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.852 1.465 -4.349 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.147 -0.776 -3.676 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -11.939 0.024 -4.709 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.672 -0.091 -2.954 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.576 0.547 -2.192 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.171 1.305 -1.405 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.431 2.320 -2.146 1.00 0.85 H new ATOM 369 N ASP A 26 -11.788 2.697 -5.952 1.00 0.25 N ATOM 370 CA ASP A 26 -11.056 2.646 -7.202 1.00 0.27 C ATOM 371 C ASP A 26 -9.764 3.450 -7.124 1.00 0.23 C ATOM 372 O ASP A 26 -8.703 2.910 -7.358 1.00 0.22 O ATOM 373 CB ASP A 26 -11.913 3.162 -8.355 1.00 0.32 C ATOM 374 CG ASP A 26 -11.150 3.221 -9.661 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.055 2.180 -10.344 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.634 4.305 -10.003 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.754 3.009 -6.049 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.803 1.602 -7.385 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.783 2.516 -8.475 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.286 4.157 -8.110 1.00 0.32 H new ATOM 381 N ASP A 27 -9.855 4.732 -6.762 1.00 0.22 N ATOM 382 CA ASP A 27 -8.677 5.603 -6.702 1.00 0.21 C ATOM 383 C ASP A 27 -7.740 5.134 -5.635 1.00 0.16 C ATOM 384 O ASP A 27 -6.523 5.183 -5.805 1.00 0.16 O ATOM 385 CB ASP A 27 -9.035 7.057 -6.399 1.00 0.24 C ATOM 386 CG ASP A 27 -9.613 7.778 -7.594 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.820 8.082 -7.581 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.869 8.027 -8.563 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.730 5.190 -6.506 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.212 5.553 -7.687 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.754 7.087 -5.580 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -8.143 7.583 -6.059 1.00 0.24 H new ATOM 393 N PHE A 28 -8.316 4.692 -4.527 1.00 0.13 N ATOM 394 CA PHE A 28 -7.538 4.106 -3.468 1.00 0.10 C ATOM 395 C PHE A 28 -6.723 2.996 -4.058 1.00 0.10 C ATOM 396 O PHE A 28 -5.507 3.061 -4.119 1.00 0.09 O ATOM 397 CB PHE A 28 -8.422 3.520 -2.364 1.00 0.09 C ATOM 398 CG PHE A 28 -7.632 2.714 -1.390 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.971 3.335 -0.357 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.513 1.344 -1.531 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.205 2.611 0.517 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.749 0.617 -0.658 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.089 1.243 0.364 1.00 0.08 C ATOM 0 H PHE A 28 -9.319 4.732 -4.346 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.915 4.883 -3.025 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.931 4.328 -1.839 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.195 2.894 -2.811 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -7.057 4.404 -0.234 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.028 0.842 -2.337 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.692 3.109 1.326 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.667 -0.453 -0.776 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.480 0.670 1.048 1.00 0.08 H new ATOM 413 N ASN A 29 -7.448 2.021 -4.558 1.00 0.12 N ATOM 414 CA ASN A 29 -6.876 0.801 -5.102 1.00 0.13 C ATOM 415 C ASN A 29 -5.983 1.086 -6.271 1.00 0.13 C ATOM 416 O ASN A 29 -5.045 0.360 -6.535 1.00 0.14 O ATOM 417 CB ASN A 29 -7.986 -0.125 -5.556 1.00 0.19 C ATOM 418 CG ASN A 29 -8.455 -1.040 -4.458 1.00 0.23 C ATOM 419 OD1 ASN A 29 -7.976 -2.161 -4.319 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.381 -0.559 -3.659 1.00 0.23 N ATOM 0 H ASN A 29 -8.467 2.050 -4.601 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.284 0.334 -4.315 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.827 0.469 -5.914 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.636 -0.722 -6.398 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.730 -1.124 -2.885 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.750 0.379 -3.813 1.00 0.23 H new ATOM 427 N THR A 30 -6.283 2.148 -6.962 1.00 0.13 N ATOM 428 CA THR A 30 -5.567 2.487 -8.146 1.00 0.14 C ATOM 429 C THR A 30 -4.232 3.093 -7.811 1.00 0.12 C ATOM 430 O THR A 30 -3.208 2.701 -8.366 1.00 0.12 O ATOM 431 CB THR A 30 -6.362 3.468 -8.993 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.462 2.804 -9.622 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.481 4.117 -10.032 1.00 0.17 C ATOM 0 H THR A 30 -7.030 2.798 -6.717 1.00 0.13 H new ATOM 0 HA THR A 30 -5.411 1.567 -8.710 1.00 0.14 H new ATOM 0 HB THR A 30 -6.750 4.248 -8.337 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.259 2.885 -9.057 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.072 4.815 -10.626 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.672 4.655 -9.538 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.062 3.350 -10.684 1.00 0.17 H new ATOM 441 N LEU A 31 -4.251 4.035 -6.889 1.00 0.12 N ATOM 442 CA LEU A 31 -3.047 4.690 -6.463 1.00 0.12 C ATOM 443 C LEU A 31 -2.225 3.666 -5.737 1.00 0.11 C ATOM 444 O LEU A 31 -1.018 3.613 -5.852 1.00 0.12 O ATOM 445 CB LEU A 31 -3.398 5.866 -5.559 1.00 0.14 C ATOM 446 CG LEU A 31 -2.293 6.910 -5.401 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.814 7.349 -6.774 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.816 8.098 -4.625 1.00 0.53 C ATOM 0 H LEU A 31 -5.098 4.360 -6.422 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.483 5.087 -7.307 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.287 6.357 -5.955 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.658 5.482 -4.573 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.457 6.476 -4.853 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -1.026 8.094 -6.663 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.425 6.487 -7.317 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.647 7.782 -7.329 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -2.024 8.839 -4.516 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.656 8.541 -5.160 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.146 7.772 -3.639 1.00 0.53 H new ATOM 460 N TYR A 32 -2.954 2.811 -5.066 1.00 0.09 N ATOM 461 CA TYR A 32 -2.437 1.676 -4.335 1.00 0.07 C ATOM 462 C TYR A 32 -1.747 0.698 -5.267 1.00 0.08 C ATOM 463 O TYR A 32 -0.616 0.287 -5.029 1.00 0.08 O ATOM 464 CB TYR A 32 -3.641 1.045 -3.683 1.00 0.07 C ATOM 465 CG TYR A 32 -3.449 -0.322 -3.103 1.00 0.06 C ATOM 466 CD1 TYR A 32 -3.003 -0.490 -1.810 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.761 -1.446 -3.848 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.863 -1.743 -1.269 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.621 -2.707 -3.318 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.170 -2.854 -2.024 1.00 0.08 C ATOM 471 OH TYR A 32 -3.028 -4.112 -1.483 1.00 0.15 O ATOM 0 H TYR A 32 -3.970 2.888 -5.010 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.688 1.973 -3.601 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.984 1.707 -2.888 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.440 0.992 -4.422 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.760 0.377 -1.214 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.120 -1.331 -4.860 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.513 -1.858 -0.254 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.863 -3.576 -3.912 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.288 -4.785 -2.147 1.00 0.15 H new ATOM 481 N ASP A 33 -2.440 0.365 -6.344 1.00 0.10 N ATOM 482 CA ASP A 33 -1.928 -0.538 -7.358 1.00 0.11 C ATOM 483 C ASP A 33 -0.754 0.105 -8.027 1.00 0.09 C ATOM 484 O ASP A 33 0.130 -0.546 -8.576 1.00 0.11 O ATOM 485 CB ASP A 33 -2.990 -0.815 -8.414 1.00 0.16 C ATOM 486 CG ASP A 33 -3.658 -2.164 -8.226 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.432 -2.313 -7.259 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.430 -3.074 -9.049 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.378 0.716 -6.539 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.642 -1.476 -6.882 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.746 -0.031 -8.379 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.534 -0.774 -9.403 1.00 0.16 H new ATOM 493 N ALA A 34 -0.788 1.409 -7.962 1.00 0.08 N ATOM 494 CA ALA A 34 0.185 2.252 -8.588 1.00 0.09 C ATOM 495 C ALA A 34 1.499 2.222 -7.834 1.00 0.08 C ATOM 496 O ALA A 34 2.568 2.322 -8.437 1.00 0.09 O ATOM 497 CB ALA A 34 -0.353 3.648 -8.635 1.00 0.10 C ATOM 0 H ALA A 34 -1.512 1.923 -7.460 1.00 0.08 H new ATOM 0 HA ALA A 34 0.377 1.890 -9.598 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.377 4.304 -9.110 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.280 3.662 -9.209 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.549 3.997 -7.621 1.00 0.10 H new ATOM 503 N PHE A 35 1.411 2.083 -6.505 1.00 0.06 N ATOM 504 CA PHE A 35 2.595 1.955 -5.668 1.00 0.06 C ATOM 505 C PHE A 35 3.343 0.728 -6.062 1.00 0.06 C ATOM 506 O PHE A 35 4.504 0.574 -5.758 1.00 0.08 O ATOM 507 CB PHE A 35 2.232 1.788 -4.212 1.00 0.05 C ATOM 508 CG PHE A 35 1.804 3.026 -3.529 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.659 3.659 -2.673 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.554 3.557 -3.750 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.289 4.807 -2.027 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.170 4.711 -3.116 1.00 0.06 C ATOM 513 CZ PHE A 35 0.974 5.322 -2.264 1.00 0.06 C ATOM 0 H PHE A 35 0.529 2.057 -5.993 1.00 0.06 H new ATOM 0 HA PHE A 35 3.186 2.861 -5.802 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.431 1.053 -4.135 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.093 1.378 -3.683 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.643 3.247 -2.503 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.128 3.063 -4.426 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.970 5.311 -1.357 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.806 5.127 -3.317 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.640 6.209 -1.747 1.00 0.06 H new ATOM 523 N TYR A 36 2.638 -0.166 -6.692 1.00 0.06 N ATOM 524 CA TYR A 36 3.225 -1.376 -7.164 1.00 0.06 C ATOM 525 C TYR A 36 3.613 -1.216 -8.602 1.00 0.08 C ATOM 526 O TYR A 36 2.811 -0.842 -9.454 1.00 0.11 O ATOM 527 CB TYR A 36 2.274 -2.539 -7.006 1.00 0.07 C ATOM 528 CG TYR A 36 1.845 -2.785 -5.590 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.705 -3.384 -4.690 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.572 -2.448 -5.165 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.303 -3.648 -3.397 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.163 -2.698 -3.876 1.00 0.08 C ATOM 533 CZ TYR A 36 1.027 -3.301 -2.995 1.00 0.07 C ATOM 534 OH TYR A 36 0.613 -3.564 -1.713 1.00 0.11 O ATOM 0 H TYR A 36 1.642 -0.073 -6.891 1.00 0.06 H new ATOM 0 HA TYR A 36 4.113 -1.587 -6.569 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.390 -2.358 -7.617 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.750 -3.440 -7.393 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.704 -3.649 -5.002 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.112 -1.981 -5.858 1.00 0.07 H new ATOM 0 HE1 TYR A 36 2.981 -4.123 -2.703 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.832 -2.422 -3.558 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.310 -3.255 -1.597 1.00 0.11 H new ATOM 544 N THR A 37 4.862 -1.491 -8.838 1.00 0.08 N ATOM 545 CA THR A 37 5.451 -1.359 -10.164 1.00 0.11 C ATOM 546 C THR A 37 4.755 -2.277 -11.161 1.00 0.14 C ATOM 547 O THR A 37 4.775 -2.042 -12.369 1.00 0.17 O ATOM 548 CB THR A 37 6.950 -1.692 -10.146 1.00 0.12 C ATOM 549 OG1 THR A 37 7.142 -3.112 -10.150 1.00 0.14 O ATOM 550 CG2 THR A 37 7.590 -1.128 -8.909 1.00 0.11 C ATOM 0 H THR A 37 5.514 -1.815 -8.123 1.00 0.08 H new ATOM 0 HA THR A 37 5.320 -0.321 -10.469 1.00 0.11 H new ATOM 0 HB THR A 37 7.407 -1.254 -11.034 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.101 -3.312 -10.140 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.653 -1.370 -8.907 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.464 -0.045 -8.896 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.118 -1.559 -8.026 1.00 0.11 H new ATOM 558 N ASN A 38 4.145 -3.326 -10.633 1.00 0.15 N ATOM 559 CA ASN A 38 3.423 -4.292 -11.435 1.00 0.26 C ATOM 560 C ASN A 38 2.273 -4.839 -10.600 1.00 0.29 C ATOM 561 O ASN A 38 2.349 -4.834 -9.370 1.00 0.71 O ATOM 562 CB ASN A 38 4.365 -5.417 -11.887 1.00 0.38 C ATOM 563 CG ASN A 38 4.729 -6.379 -10.772 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.044 -7.372 -10.566 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.802 -6.098 -10.050 1.00 0.99 N ATOM 0 H ASN A 38 4.138 -3.529 -9.633 1.00 0.15 H new ATOM 0 HA ASN A 38 3.026 -3.819 -12.333 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.893 -5.973 -12.697 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.277 -4.978 -12.291 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.083 -6.719 -9.291 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.348 -5.260 -10.252 1.00 0.99 H new ATOM 572 N SER A 39 1.218 -5.315 -11.250 1.00 0.33 N ATOM 573 CA SER A 39 -0.012 -5.655 -10.543 1.00 0.28 C ATOM 574 C SER A 39 0.087 -6.977 -9.787 1.00 0.22 C ATOM 575 O SER A 39 -0.900 -7.440 -9.212 1.00 0.24 O ATOM 576 CB SER A 39 -1.197 -5.682 -11.501 1.00 0.35 C ATOM 577 OG SER A 39 -0.923 -6.490 -12.635 1.00 0.36 O ATOM 0 H SER A 39 1.188 -5.474 -12.257 1.00 0.33 H new ATOM 0 HA SER A 39 -0.169 -4.873 -9.800 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.077 -6.064 -10.984 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.431 -4.667 -11.823 1.00 0.35 H new ATOM 0 HG SER A 39 -1.700 -6.491 -13.232 1.00 0.36 H new ATOM 583 N ASN A 40 1.261 -7.594 -9.781 1.00 0.20 N ATOM 584 CA ASN A 40 1.495 -8.723 -8.892 1.00 0.20 C ATOM 585 C ASN A 40 1.777 -8.189 -7.502 1.00 0.16 C ATOM 586 O ASN A 40 1.745 -8.920 -6.511 1.00 0.18 O ATOM 587 CB ASN A 40 2.648 -9.608 -9.361 1.00 0.26 C ATOM 588 CG ASN A 40 2.388 -10.263 -10.704 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.794 -11.338 -10.781 1.00 1.09 O ATOM 590 ND2 ASN A 40 2.853 -9.634 -11.770 1.00 1.15 N ATOM 0 H ASN A 40 2.053 -7.338 -10.370 1.00 0.20 H new ATOM 0 HA ASN A 40 0.603 -9.350 -8.891 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.555 -9.008 -9.426 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.830 -10.382 -8.615 1.00 0.26 H new ATOM 0 HD21 ASN A 40 2.724 -10.039 -12.697 1.00 1.15 H new ATOM 0 HD22 ASN A 40 3.340 -8.744 -11.665 1.00 1.15 H new ATOM 597 N LYS A 41 2.031 -6.868 -7.462 1.00 0.13 N ATOM 598 CA LYS A 41 2.219 -6.129 -6.232 1.00 0.11 C ATOM 599 C LYS A 41 3.293 -6.763 -5.394 1.00 0.11 C ATOM 600 O LYS A 41 3.206 -6.862 -4.174 1.00 0.12 O ATOM 601 CB LYS A 41 0.880 -6.008 -5.553 1.00 0.11 C ATOM 602 CG LYS A 41 -0.150 -5.510 -6.534 1.00 0.13 C ATOM 603 CD LYS A 41 -1.535 -5.694 -6.014 1.00 0.17 C ATOM 604 CE LYS A 41 -2.204 -4.370 -5.852 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.685 -4.496 -5.866 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.109 -6.292 -8.300 1.00 0.13 H new ATOM 0 HA LYS A 41 2.580 -5.118 -6.420 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.576 -6.976 -5.154 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.952 -5.323 -4.708 1.00 0.11 H new ATOM 0 HG2 LYS A 41 0.024 -4.454 -6.741 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.041 -6.043 -7.479 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.109 -6.318 -6.699 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.506 -6.215 -5.057 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.887 -3.914 -4.914 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.888 -3.702 -6.654 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.112 -3.556 -5.990 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -3.973 -5.114 -6.651 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.007 -4.907 -4.966 1.00 0.66 H new ATOM 619 N THR A 42 4.325 -7.155 -6.115 1.00 0.11 N ATOM 620 CA THR A 42 5.494 -7.792 -5.568 1.00 0.12 C ATOM 621 C THR A 42 6.646 -6.805 -5.538 1.00 0.10 C ATOM 622 O THR A 42 7.739 -7.097 -5.056 1.00 0.13 O ATOM 623 CB THR A 42 5.854 -8.984 -6.454 1.00 0.16 C ATOM 624 OG1 THR A 42 5.972 -8.550 -7.818 1.00 0.18 O ATOM 625 CG2 THR A 42 4.766 -10.024 -6.349 1.00 0.21 C ATOM 0 H THR A 42 4.369 -7.033 -7.127 1.00 0.11 H new ATOM 0 HA THR A 42 5.296 -8.131 -4.551 1.00 0.12 H new ATOM 0 HB THR A 42 6.803 -9.410 -6.128 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.204 -9.314 -8.386 1.00 0.18 H new ATOM 0 HG21 THR A 42 5.017 -10.878 -6.979 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.675 -10.352 -5.313 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.820 -9.595 -6.679 1.00 0.21 H new ATOM 633 N ALA A 43 6.358 -5.615 -6.035 1.00 0.09 N ATOM 634 CA ALA A 43 7.359 -4.593 -6.240 1.00 0.09 C ATOM 635 C ALA A 43 6.699 -3.234 -6.205 1.00 0.07 C ATOM 636 O ALA A 43 5.546 -3.093 -6.605 1.00 0.09 O ATOM 637 CB ALA A 43 8.058 -4.811 -7.562 1.00 0.10 C ATOM 0 H ALA A 43 5.417 -5.333 -6.308 1.00 0.09 H new ATOM 0 HA ALA A 43 8.104 -4.646 -5.447 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.811 -4.036 -7.708 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.539 -5.789 -7.562 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.329 -4.765 -8.371 1.00 0.10 H new ATOM 643 N LEU A 44 7.424 -2.247 -5.724 1.00 0.06 N ATOM 644 CA LEU A 44 6.860 -0.944 -5.469 1.00 0.06 C ATOM 645 C LEU A 44 7.592 0.207 -6.138 1.00 0.08 C ATOM 646 O LEU A 44 8.821 0.258 -6.190 1.00 0.09 O ATOM 647 CB LEU A 44 6.827 -0.736 -3.984 1.00 0.06 C ATOM 648 CG LEU A 44 5.814 -1.606 -3.289 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.474 -2.500 -2.281 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.837 -0.731 -2.611 1.00 0.05 C ATOM 0 H LEU A 44 8.416 -2.327 -5.500 1.00 0.06 H new ATOM 0 HA LEU A 44 5.862 -0.936 -5.907 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.816 -0.940 -3.572 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.604 0.310 -3.774 1.00 0.06 H new ATOM 0 HG LEU A 44 5.318 -2.238 -4.025 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.720 -3.118 -1.794 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.199 -3.141 -2.783 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.983 -1.892 -1.533 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.093 -1.343 -2.101 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.353 -0.105 -1.883 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.342 -0.098 -3.348 1.00 0.05 H new ATOM 662 N LYS A 45 6.787 1.129 -6.636 1.00 0.10 N ATOM 663 CA LYS A 45 7.242 2.341 -7.252 1.00 0.12 C ATOM 664 C LYS A 45 7.414 3.387 -6.199 1.00 0.12 C ATOM 665 O LYS A 45 6.542 3.601 -5.361 1.00 0.14 O ATOM 666 CB LYS A 45 6.239 2.849 -8.268 1.00 0.15 C ATOM 667 CG LYS A 45 6.547 2.455 -9.694 1.00 0.26 C ATOM 668 CD LYS A 45 7.871 3.028 -10.172 1.00 1.23 C ATOM 669 CE LYS A 45 7.917 3.146 -11.691 1.00 1.55 C ATOM 670 NZ LYS A 45 7.666 1.848 -12.373 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.771 1.043 -6.617 1.00 0.10 H new ATOM 0 HA LYS A 45 8.185 2.134 -7.758 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.250 2.473 -8.005 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.194 3.936 -8.205 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.574 1.368 -9.772 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.746 2.802 -10.347 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.025 4.010 -9.726 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.688 2.391 -9.831 1.00 1.23 H new ATOM 0 HE2 LYS A 45 7.174 3.874 -12.018 1.00 1.55 H new ATOM 0 HE3 LYS A 45 8.892 3.528 -11.993 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 8.000 1.902 -13.356 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 8.175 1.090 -11.875 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 6.646 1.643 -12.365 1.00 1.95 H new ATOM 684 N ASN A 46 8.503 4.067 -6.296 1.00 0.15 N ATOM 685 CA ASN A 46 8.939 4.942 -5.225 1.00 0.15 C ATOM 686 C ASN A 46 8.327 6.326 -5.338 1.00 0.14 C ATOM 687 O ASN A 46 8.140 7.016 -4.337 1.00 0.17 O ATOM 688 CB ASN A 46 10.448 5.005 -5.189 1.00 0.22 C ATOM 689 CG ASN A 46 10.990 3.649 -4.914 1.00 0.62 C ATOM 690 OD1 ASN A 46 10.983 2.784 -5.781 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.450 3.450 -3.705 1.00 0.54 N ATOM 0 H ASN A 46 9.123 4.044 -7.106 1.00 0.15 H new ATOM 0 HA ASN A 46 8.587 4.523 -4.282 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.831 5.376 -6.140 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.776 5.703 -4.419 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.827 2.538 -3.446 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.432 4.207 -3.021 1.00 0.54 H new ATOM 698 N SER A 47 8.000 6.725 -6.560 1.00 0.14 N ATOM 699 CA SER A 47 7.312 7.987 -6.790 1.00 0.16 C ATOM 700 C SER A 47 5.938 7.968 -6.121 1.00 0.13 C ATOM 701 O SER A 47 5.408 9.005 -5.718 1.00 0.17 O ATOM 702 CB SER A 47 7.163 8.230 -8.291 1.00 0.21 C ATOM 703 OG SER A 47 8.410 8.098 -8.954 1.00 1.32 O ATOM 0 H SER A 47 8.200 6.193 -7.407 1.00 0.14 H new ATOM 0 HA SER A 47 7.900 8.796 -6.356 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.448 7.521 -8.709 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.759 9.228 -8.463 1.00 0.21 H new ATOM 0 HG SER A 47 8.289 8.256 -9.913 1.00 1.32 H new ATOM 709 N GLN A 48 5.380 6.770 -5.982 1.00 0.10 N ATOM 710 CA GLN A 48 4.073 6.584 -5.391 1.00 0.10 C ATOM 711 C GLN A 48 4.102 6.818 -3.896 1.00 0.09 C ATOM 712 O GLN A 48 3.088 7.165 -3.313 1.00 0.10 O ATOM 713 CB GLN A 48 3.610 5.178 -5.688 1.00 0.13 C ATOM 714 CG GLN A 48 3.596 4.860 -7.169 1.00 0.15 C ATOM 715 CD GLN A 48 2.558 5.657 -7.935 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.439 5.954 -7.293 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.754 5.990 -9.102 1.00 0.49 N flip ATOM 0 H GLN A 48 5.828 5.903 -6.279 1.00 0.10 H new ATOM 0 HA GLN A 48 3.382 7.310 -5.820 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.263 4.471 -5.176 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.608 5.038 -5.282 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.582 5.061 -7.588 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.402 3.796 -7.305 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.630 5.742 -9.563 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.041 6.514 -9.609 1.00 0.49 H new ATOM 726 N PHE A 49 5.267 6.652 -3.286 1.00 0.09 N ATOM 727 CA PHE A 49 5.406 6.777 -1.841 1.00 0.09 C ATOM 728 C PHE A 49 4.928 8.136 -1.349 1.00 0.11 C ATOM 729 O PHE A 49 4.563 8.290 -0.188 1.00 0.13 O ATOM 730 CB PHE A 49 6.854 6.589 -1.399 1.00 0.09 C ATOM 731 CG PHE A 49 7.432 5.226 -1.629 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.640 4.837 -1.081 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.748 4.336 -2.423 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.150 3.574 -1.333 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.242 3.084 -2.675 1.00 0.11 C ATOM 736 CZ PHE A 49 8.557 2.715 -1.973 1.00 0.07 C ATOM 0 H PHE A 49 6.135 6.429 -3.773 1.00 0.09 H new ATOM 0 HA PHE A 49 4.787 5.992 -1.406 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.472 7.319 -1.922 1.00 0.09 H new ATOM 0 HB3 PHE A 49 6.923 6.818 -0.335 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.190 5.522 -0.452 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.803 4.630 -2.856 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.128 3.333 -0.942 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.734 2.393 -3.332 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.953 1.713 -2.043 1.00 0.07 H new ATOM 746 N ASP A 50 4.926 9.115 -2.242 1.00 0.11 N ATOM 747 CA ASP A 50 4.519 10.468 -1.895 1.00 0.15 C ATOM 748 C ASP A 50 3.015 10.511 -1.726 1.00 0.15 C ATOM 749 O ASP A 50 2.459 11.354 -1.026 1.00 0.20 O ATOM 750 CB ASP A 50 4.942 11.437 -2.993 1.00 0.19 C ATOM 751 CG ASP A 50 4.629 12.876 -2.643 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.743 13.465 -3.293 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.262 13.423 -1.711 1.00 0.36 O1- ATOM 0 H ASP A 50 5.203 8.996 -3.216 1.00 0.11 H new ATOM 0 HA ASP A 50 4.999 10.761 -0.962 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.012 11.334 -3.173 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.436 11.173 -3.922 1.00 0.19 H new ATOM 758 N LYS A 51 2.377 9.561 -2.373 1.00 0.11 N ATOM 759 CA LYS A 51 0.940 9.423 -2.357 1.00 0.11 C ATOM 760 C LYS A 51 0.534 8.401 -1.318 1.00 0.10 C ATOM 761 O LYS A 51 -0.591 7.951 -1.317 1.00 0.11 O ATOM 762 CB LYS A 51 0.452 8.984 -3.726 1.00 0.13 C ATOM 763 CG LYS A 51 1.482 9.198 -4.800 1.00 0.14 C ATOM 764 CD LYS A 51 0.901 9.098 -6.179 1.00 0.49 C ATOM 765 CE LYS A 51 1.774 9.813 -7.185 1.00 0.45 C ATOM 766 NZ LYS A 51 1.330 9.587 -8.587 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.851 8.852 -2.933 1.00 0.11 H new ATOM 0 HA LYS A 51 0.491 10.384 -2.107 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.182 7.928 -3.691 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.453 9.536 -3.980 1.00 0.13 H new ATOM 0 HG2 LYS A 51 1.938 10.180 -4.671 1.00 0.14 H new ATOM 0 HG3 LYS A 51 2.277 8.460 -4.689 1.00 0.14 H new ATOM 0 HD2 LYS A 51 0.799 8.050 -6.460 1.00 0.49 H new ATOM 0 HD3 LYS A 51 -0.100 9.529 -6.188 1.00 0.49 H new ATOM 0 HE2 LYS A 51 1.767 10.882 -6.973 1.00 0.45 H new ATOM 0 HE3 LYS A 51 2.804 9.473 -7.074 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.960 10.098 -9.237 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 1.362 8.570 -8.802 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.357 9.935 -8.703 1.00 1.47 H new ATOM 780 N LEU A 52 1.468 7.972 -0.480 1.00 0.09 N ATOM 781 CA LEU A 52 1.136 7.029 0.571 1.00 0.08 C ATOM 782 C LEU A 52 0.241 7.687 1.611 1.00 0.09 C ATOM 783 O LEU A 52 -0.703 7.078 2.105 1.00 0.09 O ATOM 784 CB LEU A 52 2.393 6.488 1.229 1.00 0.08 C ATOM 785 CG LEU A 52 2.281 5.091 1.807 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.459 5.148 3.295 1.00 0.07 C ATOM 787 CD2 LEU A 52 0.965 4.417 1.439 1.00 0.08 C ATOM 0 H LEU A 52 2.447 8.259 -0.508 1.00 0.09 H new ATOM 0 HA LEU A 52 0.598 6.195 0.121 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.198 6.494 0.494 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.686 7.170 2.028 1.00 0.08 H new ATOM 0 HG LEU A 52 3.072 4.481 1.371 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.378 4.143 3.710 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.441 5.559 3.528 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.687 5.783 3.730 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.933 3.419 1.876 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.134 5.008 1.823 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.886 4.341 0.355 1.00 0.08 H new ATOM 799 N SER A 53 0.531 8.937 1.935 1.00 0.10 N ATOM 800 CA SER A 53 -0.353 9.709 2.791 1.00 0.11 C ATOM 801 C SER A 53 -1.648 9.998 2.044 1.00 0.11 C ATOM 802 O SER A 53 -2.687 10.275 2.641 1.00 0.13 O ATOM 803 CB SER A 53 0.331 11.003 3.229 1.00 0.14 C ATOM 804 OG SER A 53 1.579 10.725 3.846 1.00 1.25 O ATOM 0 H SER A 53 1.364 9.435 1.621 1.00 0.10 H new ATOM 0 HA SER A 53 -0.586 9.137 3.689 1.00 0.11 H new ATOM 0 HB2 SER A 53 0.482 11.651 2.366 1.00 0.14 H new ATOM 0 HB3 SER A 53 -0.312 11.543 3.924 1.00 0.14 H new ATOM 0 HG SER A 53 2.004 11.565 4.118 1.00 1.25 H new ATOM 810 N GLN A 54 -1.571 9.896 0.724 1.00 0.10 N ATOM 811 CA GLN A 54 -2.726 10.012 -0.128 1.00 0.11 C ATOM 812 C GLN A 54 -3.497 8.697 -0.144 1.00 0.09 C ATOM 813 O GLN A 54 -4.709 8.678 -0.186 1.00 0.10 O ATOM 814 CB GLN A 54 -2.290 10.357 -1.524 1.00 0.12 C ATOM 815 CG GLN A 54 -3.438 10.554 -2.477 1.00 0.17 C ATOM 816 CD GLN A 54 -3.509 11.951 -3.041 1.00 0.69 C ATOM 817 OE1 GLN A 54 -4.131 12.842 -2.464 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.896 12.136 -4.188 1.00 0.70 N ATOM 0 H GLN A 54 -0.699 9.730 0.221 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.374 10.800 0.256 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.691 11.267 -1.495 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.646 9.563 -1.902 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.347 9.842 -3.297 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.372 10.329 -1.962 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.393 11.365 -4.627 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.923 13.050 -4.639 1.00 0.70 H new ATOM 827 N LEU A 55 -2.761 7.603 -0.118 1.00 0.08 N ATOM 828 CA LEU A 55 -3.313 6.273 -0.026 1.00 0.07 C ATOM 829 C LEU A 55 -3.948 6.110 1.336 1.00 0.07 C ATOM 830 O LEU A 55 -4.903 5.362 1.517 1.00 0.08 O ATOM 831 CB LEU A 55 -2.179 5.276 -0.241 1.00 0.06 C ATOM 832 CG LEU A 55 -2.483 4.085 -1.139 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.070 2.946 -0.331 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.421 4.482 -2.268 1.00 0.10 C ATOM 0 H LEU A 55 -1.742 7.618 -0.161 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.079 6.099 -0.782 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.328 5.812 -0.662 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.868 4.898 0.733 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.547 3.746 -1.582 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.281 2.104 -0.990 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.358 2.638 0.435 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.994 3.275 0.144 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.623 3.614 -2.896 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.357 4.853 -1.850 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -2.957 5.264 -2.869 1.00 0.10 H new ATOM 846 N LYS A 56 -3.418 6.863 2.285 1.00 0.07 N ATOM 847 CA LYS A 56 -3.988 6.928 3.614 1.00 0.08 C ATOM 848 C LYS A 56 -5.169 7.855 3.583 1.00 0.09 C ATOM 849 O LYS A 56 -6.078 7.765 4.387 1.00 0.12 O ATOM 850 CB LYS A 56 -2.959 7.444 4.618 1.00 0.10 C ATOM 851 CG LYS A 56 -3.380 7.295 6.070 1.00 0.11 C ATOM 852 CD LYS A 56 -4.378 6.168 6.234 1.00 0.11 C ATOM 853 CE LYS A 56 -4.600 5.815 7.695 1.00 0.20 C ATOM 854 NZ LYS A 56 -3.322 5.642 8.439 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.588 7.441 2.155 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.296 5.929 3.923 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.020 6.911 4.467 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.764 8.497 4.414 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.503 7.102 6.688 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.819 8.228 6.422 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.327 6.455 5.782 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.023 5.288 5.698 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.190 6.599 8.170 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -5.182 4.895 7.759 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -3.498 5.103 9.311 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -2.641 5.127 7.845 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -2.933 6.575 8.682 1.00 0.82 H new ATOM 868 N THR A 57 -5.130 8.733 2.623 1.00 0.09 N ATOM 869 CA THR A 57 -6.162 9.698 2.425 1.00 0.10 C ATOM 870 C THR A 57 -7.353 9.037 1.763 1.00 0.09 C ATOM 871 O THR A 57 -8.487 9.277 2.136 1.00 0.11 O ATOM 872 CB THR A 57 -5.637 10.861 1.575 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.532 12.054 2.360 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.494 11.101 0.357 1.00 0.12 C ATOM 0 H THR A 57 -4.368 8.796 1.948 1.00 0.09 H new ATOM 0 HA THR A 57 -6.478 10.098 3.388 1.00 0.10 H new ATOM 0 HB THR A 57 -4.643 10.584 1.225 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.194 12.785 1.801 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.086 11.933 -0.217 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.505 10.204 -0.263 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.511 11.339 0.669 1.00 0.12 H new ATOM 882 N LEU A 58 -7.070 8.198 0.780 1.00 0.09 N ATOM 883 CA LEU A 58 -8.075 7.443 0.103 1.00 0.09 C ATOM 884 C LEU A 58 -8.632 6.402 1.028 1.00 0.09 C ATOM 885 O LEU A 58 -9.825 6.202 1.088 1.00 0.12 O ATOM 886 CB LEU A 58 -7.431 6.841 -1.116 1.00 0.11 C ATOM 887 CG LEU A 58 -6.865 7.892 -2.044 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.753 7.299 -2.879 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.982 8.472 -2.898 1.00 0.16 C ATOM 0 H LEU A 58 -6.124 8.031 0.437 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.914 8.067 -0.206 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.634 6.165 -0.807 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.166 6.242 -1.654 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.433 8.709 -1.466 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.351 8.063 -3.545 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.961 6.935 -2.224 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -6.144 6.471 -3.471 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.573 9.230 -3.567 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.440 7.677 -3.487 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.735 8.925 -2.253 1.00 0.16 H new ATOM 901 N LEU A 59 -7.762 5.767 1.778 1.00 0.07 N ATOM 902 CA LEU A 59 -8.200 4.903 2.847 1.00 0.07 C ATOM 903 C LEU A 59 -9.009 5.721 3.847 1.00 0.09 C ATOM 904 O LEU A 59 -10.009 5.267 4.366 1.00 0.11 O ATOM 905 CB LEU A 59 -6.982 4.288 3.523 1.00 0.07 C ATOM 906 CG LEU A 59 -7.220 2.959 4.216 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.228 3.142 5.695 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.532 2.365 3.797 1.00 0.08 C ATOM 0 H LEU A 59 -6.750 5.832 1.668 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.827 4.102 2.454 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.202 4.152 2.774 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.599 4.997 4.257 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.412 2.286 3.930 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.400 2.181 6.180 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.268 3.544 6.017 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -8.023 3.835 5.972 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.680 1.413 4.307 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.341 3.047 4.060 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.530 2.203 2.719 1.00 0.08 H new ATOM 920 N ASP A 60 -8.568 6.938 4.095 1.00 0.09 N ATOM 921 CA ASP A 60 -9.310 7.879 4.930 1.00 0.11 C ATOM 922 C ASP A 60 -10.627 8.245 4.287 1.00 0.12 C ATOM 923 O ASP A 60 -11.522 8.799 4.924 1.00 0.16 O ATOM 924 CB ASP A 60 -8.510 9.159 5.149 1.00 0.17 C ATOM 925 CG ASP A 60 -8.265 9.450 6.615 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.425 8.759 7.236 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.906 10.372 7.160 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.691 7.307 3.729 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.490 7.389 5.887 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.553 9.077 4.634 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.043 9.997 4.700 1.00 0.17 H new ATOM 932 N LYS A 61 -10.720 7.972 3.015 1.00 0.12 N ATOM 933 CA LYS A 61 -11.937 8.154 2.296 1.00 0.14 C ATOM 934 C LYS A 61 -12.795 6.908 2.429 1.00 0.12 C ATOM 935 O LYS A 61 -14.027 6.957 2.391 1.00 0.17 O ATOM 936 CB LYS A 61 -11.607 8.485 0.850 1.00 0.19 C ATOM 937 CG LYS A 61 -10.901 9.796 0.718 1.00 0.25 C ATOM 938 CD LYS A 61 -11.099 10.441 -0.650 1.00 0.39 C ATOM 939 CE LYS A 61 -12.564 10.742 -0.950 1.00 1.20 C ATOM 940 NZ LYS A 61 -13.246 9.621 -1.655 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.948 7.616 2.452 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.513 8.985 2.705 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -10.984 7.695 0.431 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.527 8.509 0.266 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.261 10.476 1.490 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.835 9.649 0.894 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.525 11.366 -0.698 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -10.703 9.779 -1.420 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -13.087 10.951 -0.017 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -12.629 11.643 -1.560 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -13.903 10.005 -2.363 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -12.537 9.026 -2.128 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -13.775 9.048 -0.966 1.00 1.92 H new ATOM 954 N LEU A 62 -12.115 5.810 2.686 1.00 0.10 N ATOM 955 CA LEU A 62 -12.754 4.519 2.874 1.00 0.11 C ATOM 956 C LEU A 62 -13.244 4.478 4.281 1.00 0.12 C ATOM 957 O LEU A 62 -14.090 3.680 4.659 1.00 0.14 O ATOM 958 CB LEU A 62 -11.789 3.346 2.647 1.00 0.11 C ATOM 959 CG LEU A 62 -11.628 2.889 1.199 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.852 3.254 0.412 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.398 3.468 0.551 1.00 0.11 C ATOM 0 H LEU A 62 -11.099 5.785 2.771 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.560 4.413 2.148 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.808 3.627 3.031 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.132 2.498 3.240 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.506 1.806 1.207 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.732 2.926 -0.620 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.724 2.767 0.849 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.991 4.335 0.435 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.328 3.114 -0.477 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.462 4.556 0.556 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.513 3.154 1.104 1.00 0.11 H new ATOM 973 N GLU A 63 -12.605 5.314 5.057 1.00 0.11 N ATOM 974 CA GLU A 63 -12.966 5.561 6.420 1.00 0.14 C ATOM 975 C GLU A 63 -14.454 5.725 6.617 1.00 0.16 C ATOM 976 O GLU A 63 -15.099 6.544 5.963 1.00 0.20 O ATOM 977 CB GLU A 63 -12.243 6.769 6.905 1.00 0.16 C ATOM 978 CG GLU A 63 -11.029 6.380 7.681 1.00 0.17 C ATOM 979 CD GLU A 63 -11.376 5.886 9.073 1.00 0.85 C ATOM 980 OE1 GLU A 63 -11.122 6.612 10.053 1.00 1.29 O ATOM 981 OE2 GLU A 63 -11.893 4.759 9.195 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.798 5.854 4.746 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.676 4.686 7.001 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.955 7.392 6.058 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.904 7.368 7.531 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.490 5.600 7.144 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.358 7.236 7.757 1.00 0.17 H new ATOM 988 N GLY A 64 -14.989 4.943 7.529 1.00 0.18 N ATOM 989 CA GLY A 64 -16.402 4.968 7.773 1.00 0.20 C ATOM 990 C GLY A 64 -17.122 3.952 6.924 1.00 0.20 C ATOM 991 O GLY A 64 -18.296 3.663 7.141 1.00 0.26 O ATOM 0 H GLY A 64 -14.464 4.287 8.108 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.595 4.767 8.827 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.792 5.964 7.562 1.00 0.20 H new ATOM 995 N SER A 65 -16.412 3.403 5.952 1.00 0.16 N ATOM 996 CA SER A 65 -16.974 2.384 5.088 1.00 0.16 C ATOM 997 C SER A 65 -16.351 1.036 5.423 1.00 0.18 C ATOM 998 O SER A 65 -15.355 0.976 6.138 1.00 0.25 O ATOM 999 CB SER A 65 -16.708 2.731 3.628 1.00 0.19 C ATOM 1000 OG SER A 65 -16.786 4.128 3.407 1.00 0.27 O ATOM 0 H SER A 65 -15.444 3.648 5.743 1.00 0.16 H new ATOM 0 HA SER A 65 -18.051 2.334 5.245 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.720 2.370 3.341 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.431 2.220 2.993 1.00 0.19 H new ATOM 0 HG SER A 65 -15.960 4.555 3.717 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.916 -0.041 4.902 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.392 -1.374 5.178 1.00 0.22 C ATOM 1008 C ARG A 66 -15.099 -1.603 4.431 1.00 0.21 C ATOM 1009 O ARG A 66 -14.219 -2.334 4.887 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.391 -2.443 4.779 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.251 -2.895 3.344 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.317 -3.889 2.982 1.00 0.47 C ATOM 1013 NE ARG A 66 -18.234 -4.320 1.588 1.00 1.46 N ATOM 1014 CZ ARG A 66 -19.107 -5.147 1.016 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -20.121 -5.641 1.718 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -18.967 -5.478 -0.260 1.00 3.05 N ATOM 0 H ARG A 66 -17.732 -0.022 4.290 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.208 -1.439 6.250 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -17.271 -3.304 5.436 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.400 -2.062 4.934 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -17.314 -2.033 2.680 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.268 -3.341 3.195 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -18.233 -4.759 3.633 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -19.297 -3.448 3.164 1.00 0.47 H new ATOM 0 HE ARG A 66 -17.463 -3.967 1.021 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -20.233 -5.387 2.699 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -20.787 -6.274 1.275 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -18.191 -5.099 -0.803 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -19.635 -6.111 -0.699 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.000 -0.962 3.282 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.840 -1.091 2.431 1.00 0.18 C ATOM 1032 C GLU A 67 -12.627 -0.675 3.176 1.00 0.15 C ATOM 1033 O GLU A 67 -11.580 -1.264 3.037 1.00 0.14 O ATOM 1034 CB GLU A 67 -13.994 -0.250 1.196 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.529 -1.006 0.034 1.00 0.33 C ATOM 1036 CD GLU A 67 -13.679 -2.184 -0.382 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -13.629 -3.181 0.363 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -13.033 -2.108 -1.444 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.721 -0.340 2.916 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.742 -2.134 2.129 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.659 0.586 1.414 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.026 0.174 0.930 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -15.530 -1.362 0.276 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.628 -0.327 -0.813 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.817 0.329 3.992 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.780 0.849 4.857 1.00 0.13 C ATOM 1047 C HIS A 68 -10.968 -0.236 5.488 1.00 0.14 C ATOM 1048 O HIS A 68 -9.783 -0.136 5.561 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.368 1.635 5.986 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.317 2.387 6.700 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.607 3.417 6.270 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.826 2.075 7.942 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.697 3.728 7.224 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.844 2.907 8.223 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.708 0.818 4.079 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.153 1.469 4.216 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.120 2.325 5.603 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.876 0.963 6.678 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.724 3.894 5.376 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.184 1.282 8.581 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.970 4.525 7.165 1.00 0.17 H new ATOM 1063 N THR A 69 -11.637 -1.226 5.988 1.00 0.15 N ATOM 1064 CA THR A 69 -10.988 -2.343 6.644 1.00 0.16 C ATOM 1065 C THR A 69 -10.018 -3.032 5.717 1.00 0.15 C ATOM 1066 O THR A 69 -8.833 -3.197 5.997 1.00 0.15 O ATOM 1067 CB THR A 69 -12.037 -3.360 7.008 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.950 -2.828 7.980 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.394 -4.637 7.495 1.00 0.21 C ATOM 0 H THR A 69 -12.654 -1.293 5.958 1.00 0.15 H new ATOM 0 HA THR A 69 -10.458 -1.961 7.517 1.00 0.16 H new ATOM 0 HB THR A 69 -12.612 -3.597 6.113 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.624 -3.505 8.201 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.169 -5.359 7.753 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.762 -5.049 6.709 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.787 -4.426 8.375 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.578 -3.386 4.600 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.940 -4.139 3.568 1.00 0.16 C ATOM 1079 C LEU A 70 -8.841 -3.312 3.035 1.00 0.13 C ATOM 1080 O LEU A 70 -7.709 -3.736 2.882 1.00 0.12 O ATOM 1081 CB LEU A 70 -11.028 -4.443 2.519 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.606 -4.741 1.077 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.414 -3.455 0.283 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.360 -5.605 1.054 1.00 0.21 C ATOM 0 H LEU A 70 -11.543 -3.144 4.374 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.509 -5.081 3.906 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.601 -5.298 2.878 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.708 -3.591 2.494 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.407 -5.300 0.594 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.115 -3.698 -0.737 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.350 -2.897 0.263 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.640 -2.849 0.754 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.076 -5.806 0.021 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.547 -5.084 1.559 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.561 -6.547 1.565 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.203 -2.100 2.864 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.397 -1.139 2.232 1.00 0.09 C ATOM 1098 C ALA A 71 -7.382 -0.573 3.196 1.00 0.07 C ATOM 1099 O ALA A 71 -6.389 -0.036 2.787 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.307 -0.084 1.675 1.00 0.10 C ATOM 0 H ALA A 71 -10.105 -1.738 3.174 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.822 -1.585 1.420 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.713 0.682 1.175 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.993 -0.536 0.959 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.877 0.370 2.486 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.641 -0.697 4.478 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.684 -0.368 5.484 1.00 0.09 C ATOM 1108 C LYS A 72 -5.717 -1.484 5.520 1.00 0.10 C ATOM 1109 O LYS A 72 -4.530 -1.308 5.719 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.361 -0.257 6.822 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.428 0.194 7.899 1.00 0.14 C ATOM 1112 CD LYS A 72 -7.101 1.207 8.792 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.488 1.245 10.184 1.00 0.22 C ATOM 1114 NZ LYS A 72 -6.668 -0.043 10.904 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.532 -1.033 4.844 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.198 0.583 5.266 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.192 0.445 6.748 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.784 -1.224 7.093 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -6.105 -0.663 8.490 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.534 0.630 7.454 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -7.027 2.195 8.338 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.162 0.971 8.871 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -5.425 1.472 10.106 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.945 2.050 10.760 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -6.640 0.126 11.930 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -7.585 -0.460 10.646 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -5.904 -0.698 10.640 1.00 1.35 H new ATOM 1128 N SER A 73 -6.258 -2.650 5.286 1.00 0.10 N ATOM 1129 CA SER A 73 -5.443 -3.822 5.241 1.00 0.12 C ATOM 1130 C SER A 73 -4.668 -3.859 3.927 1.00 0.11 C ATOM 1131 O SER A 73 -3.687 -4.587 3.789 1.00 0.13 O ATOM 1132 CB SER A 73 -6.284 -5.089 5.434 1.00 0.16 C ATOM 1133 OG SER A 73 -5.473 -6.252 5.476 1.00 1.18 O ATOM 0 H SER A 73 -7.253 -2.808 5.125 1.00 0.10 H new ATOM 0 HA SER A 73 -4.728 -3.787 6.063 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.856 -5.010 6.359 1.00 0.16 H new ATOM 0 HB3 SER A 73 -7.004 -5.176 4.620 1.00 0.16 H new ATOM 0 HG SER A 73 -6.040 -7.042 5.601 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.127 -3.076 2.955 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.390 -2.850 1.741 1.00 0.08 C ATOM 1141 C LYS A 74 -3.414 -1.746 1.945 1.00 0.06 C ATOM 1142 O LYS A 74 -2.222 -1.882 1.712 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.336 -2.458 0.654 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.352 -3.512 0.403 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.363 -3.017 -0.555 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.060 -3.571 -1.897 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.511 -4.976 -2.058 1.00 1.02 N1+ ATOM 0 H LYS A 74 -6.021 -2.586 2.998 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.862 -3.764 1.468 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.836 -1.528 0.925 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.778 -2.265 -0.262 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.871 -4.407 0.008 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.833 -3.796 1.339 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.362 -3.318 -0.239 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.353 -1.927 -0.585 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.538 -2.952 -2.656 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.986 -3.517 -2.072 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -7.009 -5.412 -2.857 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.306 -5.508 -1.188 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.535 -4.993 -2.241 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.966 -0.650 2.387 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.230 0.539 2.654 1.00 0.04 C ATOM 1163 C TYR A 75 -2.049 0.249 3.547 1.00 0.05 C ATOM 1164 O TYR A 75 -0.924 0.526 3.188 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.121 1.552 3.350 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.293 2.555 4.101 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.099 2.438 5.466 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.644 3.574 3.424 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.277 3.318 6.138 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.830 4.464 4.082 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.643 4.331 5.444 1.00 0.08 C ATOM 1172 OH TYR A 75 -0.819 5.207 6.114 1.00 0.25 O ATOM 0 H TYR A 75 -4.965 -0.564 2.574 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.876 0.936 1.703 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.743 2.063 2.615 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.795 1.040 4.037 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.597 1.649 6.011 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.781 3.671 2.357 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.129 3.216 7.203 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.341 5.260 3.540 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.270 5.699 5.468 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.329 -0.333 4.705 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.340 -0.476 5.751 1.00 0.08 C ATOM 1184 C ASP A 76 -0.271 -1.402 5.255 1.00 0.09 C ATOM 1185 O ASP A 76 0.905 -1.272 5.561 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.950 -1.070 7.015 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.645 -0.246 8.250 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.538 0.491 8.717 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.509 -0.335 8.767 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.245 -0.716 4.940 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.939 0.508 5.994 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -3.030 -1.147 6.891 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.572 -2.083 7.156 1.00 0.13 H new ATOM 1194 N SER A 77 -0.738 -2.314 4.442 1.00 0.07 N ATOM 1195 CA SER A 77 0.067 -3.321 3.815 1.00 0.07 C ATOM 1196 C SER A 77 1.041 -2.643 2.885 1.00 0.06 C ATOM 1197 O SER A 77 2.260 -2.737 3.030 1.00 0.06 O ATOM 1198 CB SER A 77 -0.892 -4.222 3.037 1.00 0.08 C ATOM 1199 OG SER A 77 -0.232 -5.191 2.252 1.00 0.10 O ATOM 0 H SER A 77 -1.725 -2.375 4.192 1.00 0.07 H new ATOM 0 HA SER A 77 0.635 -3.910 4.535 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.558 -4.724 3.739 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.517 -3.605 2.391 1.00 0.08 H new ATOM 0 HG SER A 77 0.705 -4.931 2.131 1.00 0.10 H new ATOM 1205 N LEU A 78 0.456 -1.877 1.999 1.00 0.04 N ATOM 1206 CA LEU A 78 1.138 -1.191 0.947 1.00 0.04 C ATOM 1207 C LEU A 78 2.063 -0.145 1.547 1.00 0.04 C ATOM 1208 O LEU A 78 3.194 0.065 1.109 1.00 0.04 O ATOM 1209 CB LEU A 78 0.032 -0.567 0.117 1.00 0.03 C ATOM 1210 CG LEU A 78 0.435 0.109 -1.170 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.495 1.584 -0.915 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.768 -0.412 -1.656 1.00 0.04 C ATOM 0 H LEU A 78 -0.551 -1.712 1.997 1.00 0.04 H new ATOM 0 HA LEU A 78 1.764 -1.840 0.335 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.691 -1.346 -0.123 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.483 0.166 0.737 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.294 -0.105 -1.952 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.785 2.100 -1.830 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.485 1.938 -0.593 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.229 1.789 -0.135 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.038 0.090 -2.585 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.531 -0.217 -0.903 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.697 -1.486 -1.831 1.00 0.04 H new ATOM 1224 N ALA A 79 1.560 0.450 2.595 1.00 0.04 N ATOM 1225 CA ALA A 79 2.238 1.482 3.335 1.00 0.04 C ATOM 1226 C ALA A 79 3.441 0.927 4.016 1.00 0.05 C ATOM 1227 O ALA A 79 4.439 1.606 4.167 1.00 0.07 O ATOM 1228 CB ALA A 79 1.267 2.085 4.343 1.00 0.05 C ATOM 0 H ALA A 79 0.639 0.223 2.969 1.00 0.04 H new ATOM 0 HA ALA A 79 2.576 2.263 2.654 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.770 2.868 4.909 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.413 2.510 3.816 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.922 1.308 5.026 1.00 0.05 H new ATOM 1234 N THR A 80 3.354 -0.315 4.379 1.00 0.05 N ATOM 1235 CA THR A 80 4.437 -0.985 5.030 1.00 0.05 C ATOM 1236 C THR A 80 5.477 -1.416 4.020 1.00 0.05 C ATOM 1237 O THR A 80 6.662 -1.360 4.287 1.00 0.05 O ATOM 1238 CB THR A 80 3.911 -2.206 5.745 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.026 -1.807 6.803 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.049 -3.039 6.299 1.00 0.07 C ATOM 0 H THR A 80 2.528 -0.895 4.232 1.00 0.05 H new ATOM 0 HA THR A 80 4.896 -0.299 5.742 1.00 0.05 H new ATOM 0 HB THR A 80 3.361 -2.817 5.029 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.097 -1.908 6.508 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.645 -3.913 6.810 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.695 -3.362 5.482 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.627 -2.442 7.004 1.00 0.07 H new ATOM 1248 N GLN A 81 5.018 -1.835 2.856 1.00 0.05 N ATOM 1249 CA GLN A 81 5.859 -2.294 1.823 1.00 0.05 C ATOM 1250 C GLN A 81 6.671 -1.168 1.323 1.00 0.05 C ATOM 1251 O GLN A 81 7.858 -1.311 1.063 1.00 0.05 O ATOM 1252 CB GLN A 81 4.980 -2.875 0.749 1.00 0.05 C ATOM 1253 CG GLN A 81 4.340 -4.121 1.276 1.00 0.05 C ATOM 1254 CD GLN A 81 3.059 -4.499 0.625 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.204 -5.035 1.449 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.837 -4.289 -0.560 1.00 0.07 N flip ATOM 0 H GLN A 81 4.026 -1.857 2.620 1.00 0.05 H new ATOM 0 HA GLN A 81 6.549 -3.062 2.172 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.218 -2.154 0.454 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.568 -3.099 -0.141 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.043 -4.946 1.164 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.163 -3.995 2.344 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.556 -3.865 -1.146 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.933 -4.538 -0.961 1.00 0.07 H new ATOM 1265 N ILE A 82 6.041 -0.026 1.224 1.00 0.04 N ATOM 1266 CA ILE A 82 6.792 1.116 0.869 1.00 0.04 C ATOM 1267 C ILE A 82 7.620 1.571 2.067 1.00 0.05 C ATOM 1268 O ILE A 82 8.797 1.787 1.918 1.00 0.05 O ATOM 1269 CB ILE A 82 5.960 2.299 0.307 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.221 3.051 1.374 1.00 0.05 C ATOM 1271 CG2 ILE A 82 4.970 1.878 -0.749 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.963 4.277 1.800 1.00 0.06 C ATOM 0 H ILE A 82 5.044 0.122 1.381 1.00 0.04 H new ATOM 0 HA ILE A 82 7.435 0.808 0.044 1.00 0.04 H new ATOM 0 HB ILE A 82 6.704 2.955 -0.146 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.235 3.332 1.005 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.065 2.402 2.236 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.420 2.751 -1.101 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.501 1.422 -1.585 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.272 1.156 -0.326 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.396 4.795 2.574 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.939 3.993 2.194 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.095 4.938 0.944 1.00 0.06 H new ATOM 1284 N LYS A 83 7.001 1.709 3.254 1.00 0.05 N ATOM 1285 CA LYS A 83 7.713 2.099 4.471 1.00 0.05 C ATOM 1286 C LYS A 83 8.933 1.254 4.729 1.00 0.05 C ATOM 1287 O LYS A 83 9.911 1.723 5.286 1.00 0.06 O ATOM 1288 CB LYS A 83 6.779 1.997 5.662 1.00 0.06 C ATOM 1289 CG LYS A 83 6.469 3.336 6.267 1.00 0.10 C ATOM 1290 CD LYS A 83 5.839 4.238 5.237 1.00 0.12 C ATOM 1291 CE LYS A 83 5.941 5.665 5.664 1.00 0.20 C ATOM 1292 NZ LYS A 83 5.329 6.609 4.695 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.002 1.553 3.390 1.00 0.05 H new ATOM 0 HA LYS A 83 8.049 3.126 4.328 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.850 1.519 5.351 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.230 1.356 6.419 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.795 3.213 7.115 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.383 3.791 6.650 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.333 4.103 4.275 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.792 3.967 5.098 1.00 0.12 H new ATOM 0 HE2 LYS A 83 5.456 5.783 6.633 1.00 0.20 H new ATOM 0 HE3 LYS A 83 6.991 5.923 5.799 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.723 7.560 4.841 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 5.535 6.294 3.726 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 4.299 6.635 4.839 1.00 0.95 H new ATOM 1306 N ALA A 84 8.843 0.011 4.354 1.00 0.05 N ATOM 1307 CA ALA A 84 9.940 -0.901 4.398 1.00 0.05 C ATOM 1308 C ALA A 84 11.002 -0.471 3.464 1.00 0.04 C ATOM 1309 O ALA A 84 12.178 -0.406 3.805 1.00 0.05 O ATOM 1310 CB ALA A 84 9.436 -2.206 3.931 1.00 0.05 C ATOM 0 H ALA A 84 7.981 -0.403 4.001 1.00 0.05 H new ATOM 0 HA ALA A 84 10.345 -0.947 5.409 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.245 -2.936 3.949 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.631 -2.541 4.586 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.059 -2.107 2.913 1.00 0.05 H new ATOM 1316 N ILE A 85 10.561 -0.195 2.267 1.00 0.04 N ATOM 1317 CA ILE A 85 11.431 0.251 1.255 1.00 0.04 C ATOM 1318 C ILE A 85 12.079 1.505 1.722 1.00 0.04 C ATOM 1319 O ILE A 85 13.281 1.654 1.660 1.00 0.05 O ATOM 1320 CB ILE A 85 10.671 0.497 -0.047 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.264 -0.838 -0.626 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.498 1.327 -1.004 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.308 -0.741 -1.780 1.00 0.04 C ATOM 0 H ILE A 85 9.585 -0.278 1.982 1.00 0.04 H new ATOM 0 HA ILE A 85 12.184 -0.511 1.055 1.00 0.04 H new ATOM 0 HB ILE A 85 9.767 1.076 0.144 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.159 -1.368 -0.953 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.807 -1.439 0.160 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.936 1.489 -1.924 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.729 2.289 -0.546 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.425 0.802 -1.233 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.066 -1.742 -2.137 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.395 -0.241 -1.455 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.768 -0.169 -2.586 1.00 0.04 H new ATOM 1335 N GLN A 86 11.254 2.355 2.280 1.00 0.04 N ATOM 1336 CA GLN A 86 11.676 3.592 2.800 1.00 0.05 C ATOM 1337 C GLN A 86 12.687 3.333 3.848 1.00 0.05 C ATOM 1338 O GLN A 86 13.750 3.861 3.791 1.00 0.07 O ATOM 1339 CB GLN A 86 10.512 4.322 3.414 1.00 0.06 C ATOM 1340 CG GLN A 86 9.373 4.462 2.453 1.00 0.06 C ATOM 1341 CD GLN A 86 8.905 5.875 2.282 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.499 6.543 1.329 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.019 6.354 2.993 1.00 0.08 N flip ATOM 0 H GLN A 86 10.253 2.185 2.378 1.00 0.04 H new ATOM 0 HA GLN A 86 12.094 4.202 1.999 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.175 3.787 4.302 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.835 5.310 3.741 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.676 4.068 1.483 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.539 3.851 2.799 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.589 5.787 3.723 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.716 7.318 2.851 1.00 0.08 H new ATOM 1352 N ASP A 87 12.327 2.449 4.759 1.00 0.05 N ATOM 1353 CA ASP A 87 13.171 2.090 5.890 1.00 0.06 C ATOM 1354 C ASP A 87 14.556 1.791 5.424 1.00 0.06 C ATOM 1355 O ASP A 87 15.516 2.417 5.830 1.00 0.08 O ATOM 1356 CB ASP A 87 12.660 0.832 6.586 1.00 0.08 C ATOM 1357 CG ASP A 87 12.685 0.949 8.097 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.603 0.953 8.717 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.792 1.046 8.675 1.00 0.39 O1- ATOM 0 H ASP A 87 11.435 1.955 4.738 1.00 0.05 H new ATOM 0 HA ASP A 87 13.156 2.936 6.578 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.641 0.629 6.258 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.268 -0.020 6.281 1.00 0.08 H new ATOM 1364 N VAL A 88 14.647 0.845 4.538 1.00 0.04 N ATOM 1365 CA VAL A 88 15.925 0.359 4.132 1.00 0.04 C ATOM 1366 C VAL A 88 16.590 1.351 3.166 1.00 0.04 C ATOM 1367 O VAL A 88 17.775 1.609 3.285 1.00 0.05 O ATOM 1368 CB VAL A 88 15.821 -1.056 3.547 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.791 -1.873 4.310 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.483 -1.005 2.094 1.00 0.04 C ATOM 0 H VAL A 88 13.851 0.397 4.085 1.00 0.04 H new ATOM 0 HA VAL A 88 16.567 0.281 5.009 1.00 0.04 H new ATOM 0 HB VAL A 88 16.791 -1.542 3.652 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.730 -2.873 3.882 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.086 -1.944 5.357 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.817 -1.388 4.239 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.414 -2.019 1.701 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.527 -0.499 1.960 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.260 -0.460 1.559 1.00 0.04 H new ATOM 1380 N ASN A 89 15.805 1.958 2.264 1.00 0.05 N ATOM 1381 CA ASN A 89 16.266 3.040 1.397 1.00 0.06 C ATOM 1382 C ASN A 89 16.757 4.191 2.233 1.00 0.07 C ATOM 1383 O ASN A 89 17.646 4.946 1.845 1.00 0.09 O ATOM 1384 CB ASN A 89 15.098 3.530 0.555 1.00 0.06 C ATOM 1385 CG ASN A 89 14.751 2.595 -0.572 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.215 1.466 -0.617 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.886 3.049 -1.456 1.00 0.08 N ATOM 0 H ASN A 89 14.827 1.707 2.119 1.00 0.05 H new ATOM 0 HA ASN A 89 17.072 2.671 0.763 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.225 3.658 1.195 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.339 4.511 0.145 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.576 2.449 -2.220 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.527 4.000 -1.376 1.00 0.08 H new ATOM 1394 N ALA A 90 16.159 4.284 3.397 1.00 0.07 N ATOM 1395 CA ALA A 90 16.412 5.352 4.338 1.00 0.08 C ATOM 1396 C ALA A 90 17.751 5.146 4.991 1.00 0.09 C ATOM 1397 O ALA A 90 18.274 6.011 5.689 1.00 0.12 O ATOM 1398 CB ALA A 90 15.313 5.364 5.372 1.00 0.09 C ATOM 0 H ALA A 90 15.470 3.607 3.724 1.00 0.07 H new ATOM 0 HA ALA A 90 16.426 6.311 3.820 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.495 6.167 6.087 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.353 5.526 4.881 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.296 4.408 5.896 1.00 0.09 H new ATOM 1404 N GLN A 91 18.283 3.966 4.761 1.00 0.07 N ATOM 1405 CA GLN A 91 19.559 3.580 5.282 1.00 0.08 C ATOM 1406 C GLN A 91 20.632 3.939 4.289 1.00 0.08 C ATOM 1407 O GLN A 91 21.779 4.079 4.643 1.00 0.10 O ATOM 1408 CB GLN A 91 19.562 2.089 5.587 1.00 0.07 C ATOM 1409 CG GLN A 91 18.431 1.634 6.491 1.00 0.08 C ATOM 1410 CD GLN A 91 18.138 2.559 7.654 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.728 2.475 8.715 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.188 3.423 7.463 1.00 0.14 N ATOM 0 H GLN A 91 17.830 3.245 4.199 1.00 0.07 H new ATOM 0 HA GLN A 91 19.759 4.113 6.212 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.505 1.538 4.648 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.512 1.827 6.053 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.526 1.528 5.892 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.672 0.646 6.882 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.713 3.468 6.561 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.917 4.057 8.215 1.00 0.14 H new ATOM 1421 N PHE A 92 20.240 4.118 3.052 1.00 0.08 N ATOM 1422 CA PHE A 92 21.172 4.544 2.014 1.00 0.09 C ATOM 1423 C PHE A 92 21.095 6.019 1.784 1.00 0.11 C ATOM 1424 O PHE A 92 20.100 6.675 2.088 1.00 0.12 O ATOM 1425 CB PHE A 92 20.914 3.837 0.686 1.00 0.09 C ATOM 1426 CG PHE A 92 20.831 2.370 0.808 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.909 1.606 0.468 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.680 1.757 1.239 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.853 0.251 0.543 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.614 0.398 1.322 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.653 -0.343 1.101 1.00 0.06 C ATOM 0 H PHE A 92 19.282 3.978 2.730 1.00 0.08 H new ATOM 0 HA PHE A 92 22.165 4.276 2.375 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.984 4.211 0.259 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.711 4.091 -0.013 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.818 2.085 0.135 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.823 2.354 1.513 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.673 -0.362 0.199 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.675 -0.071 1.578 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.626 -1.398 1.331 1.00 0.06 H new ATOM 1441 N GLU A 93 22.179 6.522 1.235 1.00 0.12 N ATOM 1442 CA GLU A 93 22.289 7.902 0.878 1.00 0.14 C ATOM 1443 C GLU A 93 21.252 8.226 -0.184 1.00 0.14 C ATOM 1444 O GLU A 93 20.806 9.366 -0.324 1.00 0.16 O ATOM 1445 CB GLU A 93 23.690 8.191 0.368 1.00 0.16 C ATOM 1446 CG GLU A 93 24.781 7.769 1.342 1.00 0.17 C ATOM 1447 CD GLU A 93 26.075 8.527 1.139 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.436 9.336 2.018 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.737 8.317 0.102 1.00 0.37 O1- ATOM 0 H GLU A 93 23.012 5.971 1.026 1.00 0.12 H new ATOM 0 HA GLU A 93 22.108 8.527 1.752 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.838 7.674 -0.580 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.784 9.258 0.167 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.431 7.925 2.362 1.00 0.17 H new ATOM 0 HG3 GLU A 93 24.969 6.701 1.229 1.00 0.17 H new ATOM 1456 N LYS A 94 20.883 7.186 -0.927 1.00 0.13 N ATOM 1457 CA LYS A 94 19.803 7.242 -1.896 1.00 0.14 C ATOM 1458 C LYS A 94 19.122 5.889 -1.900 1.00 0.12 C ATOM 1459 O LYS A 94 19.778 4.863 -1.748 1.00 0.12 O ATOM 1460 CB LYS A 94 20.273 7.568 -3.317 1.00 0.21 C ATOM 1461 CG LYS A 94 21.502 8.462 -3.396 1.00 0.75 C ATOM 1462 CD LYS A 94 21.883 8.761 -4.836 1.00 1.25 C ATOM 1463 CE LYS A 94 20.797 9.557 -5.546 1.00 2.08 C ATOM 1464 NZ LYS A 94 21.138 9.818 -6.968 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.333 6.273 -0.869 1.00 0.13 H new ATOM 0 HA LYS A 94 19.130 8.047 -1.601 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.487 6.634 -3.836 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.456 8.051 -3.853 1.00 0.21 H new ATOM 0 HG2 LYS A 94 21.308 9.396 -2.869 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.338 7.978 -2.891 1.00 0.75 H new ATOM 0 HD2 LYS A 94 22.818 9.320 -4.857 1.00 1.25 H new ATOM 0 HD3 LYS A 94 22.058 7.826 -5.369 1.00 1.25 H new ATOM 0 HE2 LYS A 94 19.855 9.012 -5.493 1.00 2.08 H new ATOM 0 HE3 LYS A 94 20.646 10.505 -5.030 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 20.372 10.362 -7.414 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 22.024 10.361 -7.019 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 21.257 8.914 -7.468 1.00 2.94 H new ATOM 1478 N PRO A 95 17.808 5.895 -2.080 1.00 0.11 N ATOM 1479 CA PRO A 95 16.956 4.714 -1.994 1.00 0.09 C ATOM 1480 C PRO A 95 17.492 3.546 -2.743 1.00 0.08 C ATOM 1481 O PRO A 95 17.960 3.693 -3.874 1.00 0.10 O ATOM 1482 CB PRO A 95 15.674 5.175 -2.665 1.00 0.11 C ATOM 1483 CG PRO A 95 15.624 6.617 -2.383 1.00 0.13 C ATOM 1484 CD PRO A 95 17.049 7.077 -2.460 1.00 0.14 C ATOM 0 HA PRO A 95 16.853 4.377 -0.962 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.691 4.978 -3.737 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.804 4.659 -2.260 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.001 7.140 -3.109 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.199 6.812 -1.398 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.308 7.415 -3.463 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.239 7.911 -1.784 1.00 0.14 H new ATOM 1492 N ALA A 96 17.403 2.370 -2.155 1.00 0.06 N ATOM 1493 CA ALA A 96 17.763 1.245 -2.922 1.00 0.06 C ATOM 1494 C ALA A 96 16.725 0.161 -2.835 1.00 0.05 C ATOM 1495 O ALA A 96 17.019 -0.989 -2.550 1.00 0.05 O ATOM 1496 CB ALA A 96 19.059 0.733 -2.363 1.00 0.05 C ATOM 0 H ALA A 96 17.099 2.193 -1.198 1.00 0.06 H new ATOM 0 HA ALA A 96 17.852 1.528 -3.971 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.378 -0.142 -2.928 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.820 1.510 -2.437 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.921 0.459 -1.317 1.00 0.05 H new ATOM 1502 N ILE A 97 15.523 0.556 -3.143 1.00 0.06 N ATOM 1503 CA ILE A 97 14.499 -0.238 -3.741 1.00 0.07 C ATOM 1504 C ILE A 97 13.728 0.705 -4.571 1.00 0.08 C ATOM 1505 O ILE A 97 12.927 1.451 -4.035 1.00 0.10 O ATOM 1506 CB ILE A 97 13.578 -0.893 -2.737 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.255 -2.086 -2.134 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.236 -1.269 -3.351 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.771 -1.795 -0.768 1.00 0.05 C ATOM 0 H ILE A 97 15.215 1.513 -2.968 1.00 0.06 H new ATOM 0 HA ILE A 97 14.946 -1.060 -4.301 1.00 0.07 H new ATOM 0 HB ILE A 97 13.365 -0.170 -1.949 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.553 -2.918 -2.088 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.079 -2.399 -2.775 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.607 -1.736 -2.593 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.744 -0.372 -3.728 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.395 -1.968 -4.172 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.255 -2.685 -0.365 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.493 -0.980 -0.818 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.943 -1.507 -0.120 1.00 0.05 H new ATOM 1521 N VAL A 98 13.979 0.750 -5.813 1.00 0.09 N ATOM 1522 CA VAL A 98 13.311 1.713 -6.624 1.00 0.10 C ATOM 1523 C VAL A 98 12.763 1.047 -7.851 1.00 0.10 C ATOM 1524 O VAL A 98 13.508 0.533 -8.683 1.00 0.14 O ATOM 1525 CB VAL A 98 14.217 2.902 -6.949 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.471 3.694 -5.662 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.512 2.431 -7.581 1.00 0.11 C ATOM 0 H VAL A 98 14.636 0.142 -6.302 1.00 0.09 H new ATOM 0 HA VAL A 98 12.471 2.127 -6.066 1.00 0.10 H new ATOM 0 HB VAL A 98 13.729 3.554 -7.674 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.116 4.545 -5.880 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.522 4.051 -5.261 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.956 3.050 -4.928 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.142 3.292 -7.804 1.00 0.11 H new ATOM 0 HG22 VAL A 98 16.034 1.769 -6.890 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.292 1.893 -8.503 1.00 0.11 H new ATOM 1537 N ASP A 99 11.442 1.012 -7.903 1.00 0.09 N ATOM 1538 CA ASP A 99 10.710 0.258 -8.923 1.00 0.11 C ATOM 1539 C ASP A 99 10.724 -1.226 -8.571 1.00 0.09 C ATOM 1540 O ASP A 99 10.861 -2.094 -9.430 1.00 0.11 O ATOM 1541 CB ASP A 99 11.301 0.482 -10.321 1.00 0.14 C ATOM 1542 CG ASP A 99 10.501 -0.167 -11.435 1.00 0.31 C ATOM 1543 OD1 ASP A 99 11.101 -0.896 -12.255 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.277 0.046 -11.498 1.00 0.52 O1- ATOM 0 H ASP A 99 10.841 1.504 -7.242 1.00 0.09 H new ATOM 0 HA ASP A 99 9.681 0.617 -8.941 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.367 1.553 -10.510 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.318 0.092 -10.342 1.00 0.14 H new ATOM 1549 N GLY A 100 10.583 -1.512 -7.283 1.00 0.07 N ATOM 1550 CA GLY A 100 10.584 -2.882 -6.819 1.00 0.08 C ATOM 1551 C GLY A 100 11.916 -3.557 -7.000 1.00 0.08 C ATOM 1552 O GLY A 100 12.051 -4.751 -6.762 1.00 0.10 O ATOM 0 H GLY A 100 10.467 -0.813 -6.549 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.311 -2.904 -5.764 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.821 -3.444 -7.357 1.00 0.08 H new ATOM 1556 N VAL A 101 12.890 -2.801 -7.456 1.00 0.08 N ATOM 1557 CA VAL A 101 14.212 -3.312 -7.631 1.00 0.09 C ATOM 1558 C VAL A 101 15.200 -2.400 -6.970 1.00 0.08 C ATOM 1559 O VAL A 101 15.125 -1.183 -7.050 1.00 0.09 O ATOM 1560 CB VAL A 101 14.560 -3.517 -9.111 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.461 -2.207 -9.889 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.947 -4.135 -9.247 1.00 0.15 C ATOM 0 H VAL A 101 12.779 -1.820 -7.712 1.00 0.08 H new ATOM 0 HA VAL A 101 14.258 -4.293 -7.159 1.00 0.09 H new ATOM 0 HB VAL A 101 13.833 -4.206 -9.541 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.713 -2.385 -10.934 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.444 -1.820 -9.822 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.155 -1.480 -9.467 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.181 -4.275 -10.302 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.686 -3.473 -8.796 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.967 -5.100 -8.740 1.00 0.15 H new ATOM 1572 N LEU A 102 16.109 -3.027 -6.315 1.00 0.07 N ATOM 1573 CA LEU A 102 17.100 -2.379 -5.532 1.00 0.07 C ATOM 1574 C LEU A 102 18.072 -1.587 -6.392 1.00 0.09 C ATOM 1575 O LEU A 102 18.319 -1.904 -7.557 1.00 0.11 O ATOM 1576 CB LEU A 102 17.819 -3.472 -4.776 1.00 0.07 C ATOM 1577 CG LEU A 102 19.306 -3.257 -4.543 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.515 -2.291 -3.403 1.00 0.06 C ATOM 1579 CD2 LEU A 102 20.011 -4.565 -4.264 1.00 0.07 C ATOM 0 H LEU A 102 16.187 -4.044 -6.309 1.00 0.07 H new ATOM 0 HA LEU A 102 16.643 -1.657 -4.856 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.334 -3.595 -3.808 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.689 -4.408 -5.319 1.00 0.07 H new ATOM 0 HG LEU A 102 19.737 -2.834 -5.451 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.583 -2.143 -3.243 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.048 -1.336 -3.645 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.065 -2.695 -2.496 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.073 -4.379 -4.102 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.583 -5.026 -3.374 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.886 -5.234 -5.115 1.00 0.07 H new ATOM 1591 N ASP A 103 18.615 -0.566 -5.780 1.00 0.09 N ATOM 1592 CA ASP A 103 19.635 0.259 -6.376 1.00 0.11 C ATOM 1593 C ASP A 103 20.943 -0.158 -5.763 1.00 0.11 C ATOM 1594 O ASP A 103 21.315 0.332 -4.721 1.00 0.10 O ATOM 1595 CB ASP A 103 19.419 1.721 -6.028 1.00 0.13 C ATOM 1596 CG ASP A 103 19.811 2.679 -7.140 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.914 3.146 -7.875 1.00 0.46 O ATOM 1598 OD2 ASP A 103 21.024 2.946 -7.307 1.00 0.48 O1- ATOM 0 H ASP A 103 18.356 -0.279 -4.836 1.00 0.09 H new ATOM 0 HA ASP A 103 19.615 0.142 -7.460 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.368 1.875 -5.782 1.00 0.13 H new ATOM 0 HB3 ASP A 103 19.995 1.961 -5.134 1.00 0.13 H new ATOM 1603 N THR A 104 21.623 -1.050 -6.411 1.00 0.12 N ATOM 1604 CA THR A 104 22.871 -1.609 -5.902 1.00 0.14 C ATOM 1605 C THR A 104 23.943 -0.562 -5.896 1.00 0.16 C ATOM 1606 O THR A 104 25.002 -0.706 -5.285 1.00 0.19 O ATOM 1607 CB THR A 104 23.311 -2.789 -6.752 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.069 -2.351 -7.891 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.078 -3.503 -7.223 1.00 0.16 C ATOM 0 H THR A 104 21.340 -1.425 -7.316 1.00 0.12 H new ATOM 0 HA THR A 104 22.702 -1.953 -4.882 1.00 0.14 H new ATOM 0 HB THR A 104 23.945 -3.447 -6.158 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.342 -3.129 -8.421 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.364 -4.357 -7.837 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.507 -3.851 -6.362 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.466 -2.821 -7.813 1.00 0.16 H new ATOM 1617 N ASN A 105 23.623 0.504 -6.577 1.00 0.16 N ATOM 1618 CA ASN A 105 24.512 1.630 -6.702 1.00 0.20 C ATOM 1619 C ASN A 105 24.339 2.542 -5.519 1.00 0.19 C ATOM 1620 O ASN A 105 25.047 3.535 -5.350 1.00 0.26 O ATOM 1621 CB ASN A 105 24.207 2.388 -7.972 1.00 0.26 C ATOM 1622 CG ASN A 105 25.415 3.122 -8.517 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.648 4.293 -8.205 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.194 2.437 -9.328 1.00 0.90 N ATOM 0 H ASN A 105 22.734 0.618 -7.064 1.00 0.16 H new ATOM 0 HA ASN A 105 25.540 1.271 -6.738 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.838 1.693 -8.726 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.408 3.104 -7.780 1.00 0.26 H new ATOM 0 HD21 ASN A 105 27.027 2.873 -9.724 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.965 1.471 -9.560 1.00 0.90 H new ATOM 1631 N ALA A 106 23.377 2.177 -4.711 1.00 0.14 N ATOM 1632 CA ALA A 106 23.036 2.948 -3.518 1.00 0.13 C ATOM 1633 C ALA A 106 24.123 2.862 -2.483 1.00 0.14 C ATOM 1634 O ALA A 106 25.078 2.090 -2.596 1.00 0.20 O ATOM 1635 CB ALA A 106 21.713 2.509 -2.926 1.00 0.10 C ATOM 0 H ALA A 106 22.805 1.344 -4.850 1.00 0.14 H new ATOM 0 HA ALA A 106 22.938 3.988 -3.830 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.495 3.106 -2.041 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.921 2.648 -3.662 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.770 1.456 -2.649 1.00 0.10 H new ATOM 1641 N LYS A 107 23.949 3.658 -1.467 1.00 0.13 N ATOM 1642 CA LYS A 107 24.982 3.898 -0.503 1.00 0.14 C ATOM 1643 C LYS A 107 24.473 3.727 0.892 1.00 0.12 C ATOM 1644 O LYS A 107 23.943 4.664 1.465 1.00 0.12 O ATOM 1645 CB LYS A 107 25.497 5.307 -0.666 1.00 0.17 C ATOM 1646 CG LYS A 107 26.639 5.419 -1.629 1.00 0.25 C ATOM 1647 CD LYS A 107 27.837 4.657 -1.095 1.00 0.80 C ATOM 1648 CE LYS A 107 28.293 5.222 0.243 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.517 4.548 0.745 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.081 4.161 -1.284 1.00 0.13 H new ATOM 0 HA LYS A 107 25.780 3.175 -0.672 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.682 5.946 -1.006 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.814 5.684 0.306 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.347 5.022 -2.601 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.900 6.467 -1.778 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.581 3.604 -0.980 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.655 4.709 -1.813 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.484 6.290 0.139 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.493 5.111 0.975 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.792 4.963 1.658 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.328 3.533 0.869 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.289 4.675 0.060 1.00 1.99 H new ATOM 1663 N ALA A 108 24.646 2.552 1.446 1.00 0.11 N ATOM 1664 CA ALA A 108 24.175 2.298 2.788 1.00 0.10 C ATOM 1665 C ALA A 108 24.919 3.211 3.753 1.00 0.11 C ATOM 1666 O ALA A 108 26.086 2.980 4.079 1.00 0.13 O ATOM 1667 CB ALA A 108 24.343 0.829 3.142 1.00 0.10 C ATOM 0 H ALA A 108 25.105 1.761 0.994 1.00 0.11 H new ATOM 0 HA ALA A 108 23.110 2.518 2.860 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.983 0.656 4.156 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.770 0.219 2.444 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.397 0.558 3.080 1.00 0.10 H new ATOM 1673 N LYS A 109 24.231 4.284 4.137 1.00 0.11 N ATOM 1674 CA LYS A 109 24.754 5.321 5.012 1.00 0.13 C ATOM 1675 C LYS A 109 25.454 4.769 6.251 1.00 0.15 C ATOM 1676 O LYS A 109 25.285 3.610 6.625 1.00 0.14 O ATOM 1677 CB LYS A 109 23.602 6.213 5.465 1.00 0.14 C ATOM 1678 CG LYS A 109 23.236 7.259 4.441 1.00 0.15 C ATOM 1679 CD LYS A 109 22.113 8.163 4.917 1.00 0.17 C ATOM 1680 CE LYS A 109 20.787 7.443 4.884 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.664 8.309 5.324 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.271 4.457 3.839 1.00 0.11 H new ATOM 0 HA LYS A 109 25.497 5.876 4.438 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.729 5.594 5.674 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.875 6.705 6.399 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.114 7.863 4.212 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.937 6.768 3.515 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.321 8.503 5.931 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.064 9.051 4.287 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.594 7.088 3.872 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.838 6.563 5.526 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.848 7.717 5.577 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 19.958 8.865 6.152 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.398 8.952 4.551 1.00 0.26 H new ATOM 1695 N SER A 110 26.201 5.639 6.914 1.00 0.19 N ATOM 1696 CA SER A 110 26.781 5.331 8.215 1.00 0.22 C ATOM 1697 C SER A 110 25.695 5.339 9.273 1.00 0.23 C ATOM 1698 O SER A 110 25.945 5.138 10.462 1.00 0.26 O ATOM 1699 CB SER A 110 27.863 6.344 8.561 1.00 0.27 C ATOM 1700 OG SER A 110 28.881 6.354 7.570 1.00 0.29 O ATOM 0 H SER A 110 26.422 6.573 6.569 1.00 0.19 H new ATOM 0 HA SER A 110 27.234 4.340 8.179 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.423 7.338 8.647 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.296 6.103 9.532 1.00 0.27 H new ATOM 0 HG SER A 110 29.565 7.013 7.811 1.00 0.29 H new ATOM 1706 N ASP A 111 24.492 5.582 8.808 1.00 0.21 N ATOM 1707 CA ASP A 111 23.330 5.669 9.644 1.00 0.23 C ATOM 1708 C ASP A 111 22.434 4.477 9.354 1.00 0.19 C ATOM 1709 O ASP A 111 21.518 4.166 10.115 1.00 0.21 O ATOM 1710 CB ASP A 111 22.611 6.984 9.354 1.00 0.28 C ATOM 1711 CG ASP A 111 21.343 7.167 10.161 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.244 7.061 9.585 1.00 1.51 O ATOM 1713 OD2 ASP A 111 21.439 7.399 11.383 1.00 0.70 O1- ATOM 0 H ASP A 111 24.296 5.727 7.818 1.00 0.21 H new ATOM 0 HA ASP A 111 23.604 5.651 10.699 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.288 7.813 9.562 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.367 7.030 8.293 1.00 0.28 H new ATOM 1718 N ALA A 112 22.713 3.817 8.224 1.00 0.14 N ATOM 1719 CA ALA A 112 22.015 2.608 7.842 1.00 0.11 C ATOM 1720 C ALA A 112 22.029 1.577 8.946 1.00 0.12 C ATOM 1721 O ALA A 112 23.067 1.057 9.354 1.00 0.15 O ATOM 1722 CB ALA A 112 22.603 2.008 6.580 1.00 0.10 C ATOM 0 H ALA A 112 23.427 4.113 7.559 1.00 0.14 H new ATOM 0 HA ALA A 112 20.981 2.894 7.651 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.057 1.101 6.320 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.523 2.727 5.764 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.652 1.764 6.748 1.00 0.10 H new ATOM 1728 N LYS A 113 20.843 1.315 9.399 1.00 0.11 N ATOM 1729 CA LYS A 113 20.563 0.348 10.417 1.00 0.13 C ATOM 1730 C LYS A 113 19.338 -0.432 9.998 1.00 0.12 C ATOM 1731 O LYS A 113 18.205 0.035 10.124 1.00 0.13 O ATOM 1732 CB LYS A 113 20.316 1.062 11.722 1.00 0.15 C ATOM 1733 CG LYS A 113 20.960 0.369 12.907 1.00 0.24 C ATOM 1734 CD LYS A 113 20.797 1.163 14.197 1.00 0.34 C ATOM 1735 CE LYS A 113 19.336 1.413 14.548 1.00 1.46 C ATOM 1736 NZ LYS A 113 18.618 0.160 14.896 1.00 2.22 N1+ ATOM 0 H LYS A 113 20.007 1.789 9.056 1.00 0.11 H new ATOM 0 HA LYS A 113 21.403 -0.334 10.549 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.699 2.080 11.651 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.242 1.137 11.891 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.517 -0.619 13.032 1.00 0.24 H new ATOM 0 HG3 LYS A 113 22.021 0.220 12.706 1.00 0.24 H new ATOM 0 HD2 LYS A 113 21.277 0.624 15.014 1.00 0.34 H new ATOM 0 HD3 LYS A 113 21.312 2.118 14.099 1.00 0.34 H new ATOM 0 HE2 LYS A 113 19.280 2.107 15.387 1.00 1.46 H new ATOM 0 HE3 LYS A 113 18.839 1.892 13.705 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 17.637 0.384 15.160 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 18.618 -0.480 14.076 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 19.095 -0.303 15.696 1.00 2.22 H new ATOM 1750 N PHE A 114 19.573 -1.612 9.494 1.00 0.11 N ATOM 1751 CA PHE A 114 18.546 -2.349 8.797 1.00 0.10 C ATOM 1752 C PHE A 114 17.714 -3.223 9.703 1.00 0.12 C ATOM 1753 O PHE A 114 18.106 -3.574 10.817 1.00 0.15 O ATOM 1754 CB PHE A 114 19.168 -3.186 7.704 1.00 0.08 C ATOM 1755 CG PHE A 114 19.656 -2.357 6.576 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.931 -1.835 6.602 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.843 -2.104 5.493 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.389 -1.070 5.567 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.295 -1.338 4.451 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.552 -0.817 4.479 1.00 0.06 C ATOM 0 H PHE A 114 20.472 -2.090 9.552 1.00 0.11 H new ATOM 0 HA PHE A 114 17.868 -1.610 8.370 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.997 -3.761 8.116 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.435 -3.903 7.335 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.573 -2.032 7.447 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.843 -2.512 5.465 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.390 -0.665 5.590 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.652 -1.147 3.605 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.902 -0.208 3.659 1.00 0.06 H new ATOM 1770 N THR A 115 16.545 -3.534 9.197 1.00 0.12 N ATOM 1771 CA THR A 115 15.626 -4.446 9.811 1.00 0.13 C ATOM 1772 C THR A 115 15.190 -5.443 8.767 1.00 0.13 C ATOM 1773 O THR A 115 14.980 -5.081 7.607 1.00 0.13 O ATOM 1774 CB THR A 115 14.412 -3.696 10.391 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.161 -2.509 9.625 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.654 -3.322 11.843 1.00 0.20 C ATOM 0 H THR A 115 16.202 -3.144 8.319 1.00 0.12 H new ATOM 0 HA THR A 115 16.112 -4.961 10.640 1.00 0.13 H new ATOM 0 HB THR A 115 13.545 -4.354 10.340 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.387 -2.037 9.997 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.784 -2.793 12.232 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.821 -4.226 12.429 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.531 -2.678 11.912 1.00 0.20 H new ATOM 1784 N ASP A 116 15.129 -6.697 9.162 1.00 0.16 N ATOM 1785 CA ASP A 116 14.675 -7.764 8.292 1.00 0.18 C ATOM 1786 C ASP A 116 13.191 -7.641 8.090 1.00 0.17 C ATOM 1787 O ASP A 116 12.399 -8.458 8.559 1.00 0.23 O ATOM 1788 CB ASP A 116 15.024 -9.116 8.894 1.00 0.24 C ATOM 1789 CG ASP A 116 16.449 -9.531 8.608 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.336 -9.232 9.432 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.691 -10.160 7.555 1.00 0.88 O1- ATOM 0 H ASP A 116 15.393 -7.007 10.097 1.00 0.16 H new ATOM 0 HA ASP A 116 15.174 -7.684 7.326 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.870 -9.080 9.972 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.344 -9.871 8.500 1.00 0.24 H new ATOM 1796 N ILE A 117 12.844 -6.593 7.393 1.00 0.14 N ATOM 1797 CA ILE A 117 11.478 -6.189 7.238 1.00 0.13 C ATOM 1798 C ILE A 117 10.695 -7.155 6.401 1.00 0.15 C ATOM 1799 O ILE A 117 11.057 -7.470 5.267 1.00 0.18 O ATOM 1800 CB ILE A 117 11.381 -4.786 6.639 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.989 -3.812 7.627 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.931 -4.417 6.322 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.739 -2.364 7.287 1.00 0.12 C ATOM 0 H ILE A 117 13.512 -5.990 6.912 1.00 0.14 H new ATOM 0 HA ILE A 117 11.042 -6.179 8.237 1.00 0.13 H new ATOM 0 HB ILE A 117 11.926 -4.748 5.696 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.587 -4.017 8.619 1.00 0.12 H new ATOM 0 HG13 ILE A 117 13.064 -3.983 7.677 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.895 -3.414 5.897 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.523 -5.129 5.605 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.340 -4.445 7.237 1.00 0.12 H new ATOM 0 HD11 ILE A 117 12.205 -1.728 8.040 1.00 0.12 H new ATOM 0 HD12 ILE A 117 12.166 -2.141 6.309 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.666 -2.175 7.266 1.00 0.12 H new ATOM 1815 N LYS A 118 9.654 -7.666 7.004 1.00 0.14 N ATOM 1816 CA LYS A 118 8.657 -8.384 6.268 1.00 0.16 C ATOM 1817 C LYS A 118 7.378 -7.618 6.227 1.00 0.14 C ATOM 1818 O LYS A 118 6.637 -7.512 7.207 1.00 0.22 O ATOM 1819 CB LYS A 118 8.429 -9.758 6.837 1.00 0.23 C ATOM 1820 CG LYS A 118 9.666 -10.591 6.754 1.00 0.30 C ATOM 1821 CD LYS A 118 9.913 -11.125 5.349 1.00 0.38 C ATOM 1822 CE LYS A 118 10.895 -12.285 5.348 1.00 1.10 C ATOM 1823 NZ LYS A 118 10.367 -13.459 6.093 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.478 -7.596 8.006 1.00 0.14 H new ATOM 0 HA LYS A 118 9.026 -8.504 5.249 1.00 0.16 H new ATOM 0 HB2 LYS A 118 8.112 -9.676 7.877 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.620 -10.249 6.295 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.523 -9.996 7.070 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.585 -11.427 7.449 1.00 0.30 H new ATOM 0 HD2 LYS A 118 8.968 -11.449 4.912 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.297 -10.323 4.718 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.113 -12.575 4.320 1.00 1.10 H new ATOM 0 HE3 LYS A 118 11.836 -11.965 5.795 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 10.843 -14.323 5.762 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 10.545 -13.333 7.110 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 9.344 -13.543 5.928 1.00 1.87 H new ATOM 1837 N THR A 119 7.152 -7.086 5.070 1.00 0.10 N ATOM 1838 CA THR A 119 5.945 -6.388 4.749 1.00 0.09 C ATOM 1839 C THR A 119 4.844 -7.386 4.544 1.00 0.12 C ATOM 1840 O THR A 119 3.656 -7.062 4.609 1.00 0.16 O ATOM 1841 CB THR A 119 6.162 -5.635 3.451 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.422 -6.560 2.391 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.339 -4.732 3.600 1.00 0.06 C ATOM 0 H THR A 119 7.819 -7.125 4.299 1.00 0.10 H new ATOM 0 HA THR A 119 5.681 -5.701 5.553 1.00 0.09 H new ATOM 0 HB THR A 119 5.269 -5.055 3.219 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.318 -6.942 2.502 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.500 -4.188 2.669 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.154 -4.024 4.407 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.224 -5.324 3.832 1.00 0.06 H new ATOM 1851 N GLY A 120 5.266 -8.614 4.301 1.00 0.13 N ATOM 1852 CA GLY A 120 4.345 -9.611 3.860 1.00 0.14 C ATOM 1853 C GLY A 120 4.431 -9.791 2.360 1.00 0.13 C ATOM 1854 O GLY A 120 3.973 -10.795 1.810 1.00 0.18 O ATOM 0 H GLY A 120 6.231 -8.929 4.404 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.559 -10.557 4.358 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.331 -9.326 4.140 1.00 0.14 H new ATOM 1858 N ASN A 121 5.020 -8.803 1.695 1.00 0.10 N ATOM 1859 CA ASN A 121 5.283 -8.883 0.272 1.00 0.10 C ATOM 1860 C ASN A 121 6.673 -9.438 0.087 1.00 0.16 C ATOM 1861 O ASN A 121 7.637 -8.699 0.036 1.00 0.30 O ATOM 1862 CB ASN A 121 5.190 -7.494 -0.363 1.00 0.11 C ATOM 1863 CG ASN A 121 5.239 -7.528 -1.871 1.00 0.16 C ATOM 1864 OD1 ASN A 121 4.982 -8.556 -2.498 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.532 -6.385 -2.461 1.00 0.13 N ATOM 0 H ASN A 121 5.325 -7.931 2.128 1.00 0.10 H new ATOM 0 HA ASN A 121 4.547 -9.527 -0.209 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.262 -7.018 -0.046 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.008 -6.876 0.007 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.552 -6.327 -3.479 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.738 -5.559 -1.899 1.00 0.13 H new ATOM 1872 N THR A 122 6.748 -10.754 -0.012 1.00 0.15 N ATOM 1873 CA THR A 122 8.006 -11.472 -0.049 1.00 0.16 C ATOM 1874 C THR A 122 8.966 -10.944 -1.087 1.00 0.12 C ATOM 1875 O THR A 122 10.071 -10.600 -0.754 1.00 0.11 O ATOM 1876 CB THR A 122 7.753 -12.939 -0.321 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.842 -13.464 0.653 1.00 0.26 O ATOM 1878 CG2 THR A 122 9.051 -13.719 -0.303 1.00 0.19 C ATOM 0 H THR A 122 5.928 -11.358 -0.069 1.00 0.15 H new ATOM 0 HA THR A 122 8.469 -11.328 0.927 1.00 0.16 H new ATOM 0 HB THR A 122 7.311 -13.039 -1.312 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.680 -14.413 0.471 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.846 -14.771 -0.501 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.720 -13.329 -1.070 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.522 -13.619 0.675 1.00 0.19 H new ATOM 1886 N GLU A 123 8.553 -10.894 -2.335 1.00 0.14 N ATOM 1887 CA GLU A 123 9.406 -10.386 -3.399 1.00 0.14 C ATOM 1888 C GLU A 123 9.943 -9.024 -3.043 1.00 0.11 C ATOM 1889 O GLU A 123 11.084 -8.704 -3.341 1.00 0.15 O ATOM 1890 CB GLU A 123 8.614 -10.305 -4.679 1.00 0.21 C ATOM 1891 CG GLU A 123 7.884 -11.592 -4.983 1.00 0.30 C ATOM 1892 CD GLU A 123 8.436 -12.298 -6.202 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.553 -12.846 -6.121 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.749 -12.318 -7.245 1.00 1.46 O1- ATOM 0 H GLU A 123 7.630 -11.199 -2.643 1.00 0.14 H new ATOM 0 HA GLU A 123 10.248 -11.065 -3.531 1.00 0.14 H new ATOM 0 HB2 GLU A 123 7.894 -9.490 -4.607 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.285 -10.066 -5.504 1.00 0.21 H new ATOM 0 HG2 GLU A 123 7.951 -12.256 -4.121 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.827 -11.378 -5.139 1.00 0.30 H new ATOM 1901 N LEU A 124 9.125 -8.255 -2.352 1.00 0.09 N ATOM 1902 CA LEU A 124 9.529 -6.961 -1.872 1.00 0.07 C ATOM 1903 C LEU A 124 10.485 -7.143 -0.733 1.00 0.08 C ATOM 1904 O LEU A 124 11.507 -6.496 -0.675 1.00 0.08 O ATOM 1905 CB LEU A 124 8.345 -6.188 -1.362 1.00 0.07 C ATOM 1906 CG LEU A 124 8.714 -5.061 -0.432 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.443 -3.996 -1.192 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.491 -4.524 0.235 1.00 0.05 C ATOM 0 H LEU A 124 8.168 -8.513 -2.112 1.00 0.09 H new ATOM 0 HA LEU A 124 9.992 -6.416 -2.695 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.794 -5.782 -2.210 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.672 -6.871 -0.843 1.00 0.07 H new ATOM 0 HG LEU A 124 9.378 -5.433 0.348 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.708 -3.183 -0.516 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.350 -4.416 -1.628 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.803 -3.613 -1.987 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.769 -3.710 0.905 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.798 -4.152 -0.520 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.011 -5.317 0.808 1.00 0.05 H new ATOM 1920 N ASP A 125 10.125 -8.036 0.165 1.00 0.09 N ATOM 1921 CA ASP A 125 10.923 -8.353 1.320 1.00 0.12 C ATOM 1922 C ASP A 125 12.299 -8.797 0.867 1.00 0.12 C ATOM 1923 O ASP A 125 13.306 -8.557 1.531 1.00 0.19 O ATOM 1924 CB ASP A 125 10.222 -9.450 2.127 1.00 0.21 C ATOM 1925 CG ASP A 125 8.950 -8.968 2.812 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.072 -9.810 3.101 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.810 -7.750 3.051 1.00 1.21 O1- ATOM 0 H ASP A 125 9.256 -8.567 0.108 1.00 0.09 H new ATOM 0 HA ASP A 125 11.038 -7.477 1.958 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.978 -10.281 1.464 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.910 -9.834 2.880 1.00 0.21 H new ATOM 1932 N LYS A 126 12.317 -9.427 -0.295 1.00 0.10 N ATOM 1933 CA LYS A 126 13.533 -9.858 -0.934 1.00 0.10 C ATOM 1934 C LYS A 126 14.234 -8.729 -1.674 1.00 0.11 C ATOM 1935 O LYS A 126 15.397 -8.862 -2.036 1.00 0.17 O ATOM 1936 CB LYS A 126 13.201 -11.001 -1.889 1.00 0.11 C ATOM 1937 CG LYS A 126 12.359 -12.079 -1.241 1.00 0.13 C ATOM 1938 CD LYS A 126 12.265 -13.340 -2.090 1.00 0.18 C ATOM 1939 CE LYS A 126 13.630 -13.897 -2.456 1.00 0.62 C ATOM 1940 NZ LYS A 126 13.519 -15.155 -3.236 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.473 -9.653 -0.822 1.00 0.10 H new ATOM 0 HA LYS A 126 14.226 -10.195 -0.163 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.671 -10.603 -2.755 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.127 -11.442 -2.257 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.783 -12.331 -0.269 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.356 -11.692 -1.060 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.700 -14.098 -1.548 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.709 -13.120 -3.002 1.00 0.18 H new ATOM 0 HE2 LYS A 126 14.181 -13.157 -3.036 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.203 -14.082 -1.547 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 14.471 -15.505 -3.467 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 13.015 -15.869 -2.673 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 12.994 -14.973 -4.115 1.00 1.29 H new ATOM 1954 N VAL A 127 13.546 -7.628 -1.910 1.00 0.08 N ATOM 1955 CA VAL A 127 14.182 -6.474 -2.503 1.00 0.07 C ATOM 1956 C VAL A 127 14.582 -5.511 -1.403 1.00 0.06 C ATOM 1957 O VAL A 127 15.564 -4.783 -1.514 1.00 0.06 O ATOM 1958 CB VAL A 127 13.282 -5.748 -3.505 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.061 -4.636 -4.178 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.741 -6.705 -4.548 1.00 0.09 C ATOM 0 H VAL A 127 12.554 -7.511 -1.701 1.00 0.08 H new ATOM 0 HA VAL A 127 15.054 -6.829 -3.052 1.00 0.07 H new ATOM 0 HB VAL A 127 12.436 -5.325 -2.963 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.417 -4.121 -4.891 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.408 -3.928 -3.425 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.918 -5.058 -4.702 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.105 -6.161 -5.246 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.570 -7.159 -5.091 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.158 -7.485 -4.058 1.00 0.09 H new ATOM 1970 N LEU A 128 13.808 -5.537 -0.334 1.00 0.06 N ATOM 1971 CA LEU A 128 14.134 -4.810 0.871 1.00 0.05 C ATOM 1972 C LEU A 128 15.510 -5.260 1.278 1.00 0.06 C ATOM 1973 O LEU A 128 16.427 -4.488 1.532 1.00 0.06 O ATOM 1974 CB LEU A 128 13.173 -5.198 1.980 1.00 0.06 C ATOM 1975 CG LEU A 128 11.716 -4.917 1.699 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.876 -5.218 2.926 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.532 -3.481 1.258 1.00 0.06 C ATOM 0 H LEU A 128 12.936 -6.064 -0.280 1.00 0.06 H new ATOM 0 HA LEU A 128 14.077 -3.735 0.701 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.288 -6.263 2.182 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.460 -4.668 2.889 1.00 0.06 H new ATOM 0 HG LEU A 128 11.383 -5.566 0.890 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.828 -5.011 2.709 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.990 -6.268 3.196 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.206 -4.592 3.755 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.477 -3.294 1.059 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.877 -2.811 2.046 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.109 -3.302 0.351 1.00 0.06 H new ATOM 1989 N ASP A 129 15.588 -6.575 1.256 1.00 0.06 N ATOM 1990 CA ASP A 129 16.774 -7.358 1.568 1.00 0.07 C ATOM 1991 C ASP A 129 17.939 -6.957 0.725 1.00 0.07 C ATOM 1992 O ASP A 129 19.055 -6.782 1.195 1.00 0.07 O ATOM 1993 CB ASP A 129 16.471 -8.777 1.175 1.00 0.10 C ATOM 1994 CG ASP A 129 17.131 -9.816 2.054 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.167 -10.380 1.656 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.617 -10.056 3.170 1.00 0.35 O1- ATOM 0 H ASP A 129 14.789 -7.158 1.008 1.00 0.06 H new ATOM 0 HA ASP A 129 17.013 -7.219 2.622 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.392 -8.927 1.201 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.790 -8.933 0.144 1.00 0.10 H new ATOM 2001 N LYS A 130 17.634 -6.911 -0.545 1.00 0.07 N ATOM 2002 CA LYS A 130 18.537 -6.534 -1.596 1.00 0.07 C ATOM 2003 C LYS A 130 19.315 -5.320 -1.198 1.00 0.06 C ATOM 2004 O LYS A 130 20.532 -5.264 -1.325 1.00 0.07 O ATOM 2005 CB LYS A 130 17.647 -6.262 -2.781 1.00 0.08 C ATOM 2006 CG LYS A 130 17.738 -7.263 -3.904 1.00 0.12 C ATOM 2007 CD LYS A 130 18.028 -8.646 -3.389 1.00 0.15 C ATOM 2008 CE LYS A 130 17.698 -9.712 -4.421 1.00 1.00 C ATOM 2009 NZ LYS A 130 16.239 -9.784 -4.704 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.703 -7.147 -0.889 1.00 0.07 H new ATOM 0 HA LYS A 130 19.275 -7.304 -1.819 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.614 -6.222 -2.436 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.889 -5.276 -3.176 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.802 -7.271 -4.462 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.521 -6.961 -4.599 1.00 0.12 H new ATOM 0 HD2 LYS A 130 19.080 -8.719 -3.115 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.449 -8.825 -2.483 1.00 0.15 H new ATOM 0 HE2 LYS A 130 18.236 -9.500 -5.345 1.00 1.00 H new ATOM 0 HE3 LYS A 130 18.046 -10.681 -4.064 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 15.981 -10.761 -4.952 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 15.707 -9.489 -3.861 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 16.008 -9.153 -5.498 1.00 1.66 H new ATOM 2023 N ALA A 131 18.597 -4.390 -0.649 1.00 0.06 N ATOM 2024 CA ALA A 131 19.180 -3.157 -0.199 1.00 0.05 C ATOM 2025 C ALA A 131 20.053 -3.414 0.997 1.00 0.05 C ATOM 2026 O ALA A 131 21.207 -3.024 1.040 1.00 0.05 O ATOM 2027 CB ALA A 131 18.098 -2.192 0.166 1.00 0.04 C ATOM 0 H ALA A 131 17.591 -4.461 -0.499 1.00 0.06 H new ATOM 0 HA ALA A 131 19.785 -2.733 -1.000 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.544 -1.258 0.507 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.473 -1.999 -0.706 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.487 -2.615 0.964 1.00 0.04 H new ATOM 2033 N ILE A 132 19.486 -4.081 1.974 1.00 0.05 N ATOM 2034 CA ILE A 132 20.216 -4.484 3.155 1.00 0.06 C ATOM 2035 C ILE A 132 21.472 -5.245 2.795 1.00 0.08 C ATOM 2036 O ILE A 132 22.412 -5.337 3.581 1.00 0.09 O ATOM 2037 CB ILE A 132 19.349 -5.381 4.024 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.924 -4.846 3.971 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.879 -5.443 5.449 1.00 0.08 C ATOM 2040 CD1 ILE A 132 17.005 -5.298 5.081 1.00 0.07 C ATOM 0 H ILE A 132 18.505 -4.360 1.974 1.00 0.05 H new ATOM 0 HA ILE A 132 20.488 -3.576 3.694 1.00 0.06 H new ATOM 0 HB ILE A 132 19.368 -6.404 3.649 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.965 -3.757 3.981 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.482 -5.139 3.019 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.239 -6.092 6.047 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.894 -5.840 5.443 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.884 -4.441 5.879 1.00 0.08 H new ATOM 0 HD11 ILE A 132 16.019 -4.855 4.940 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.921 -6.385 5.064 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.411 -4.981 6.041 1.00 0.07 H new ATOM 2052 N SER A 133 21.478 -5.785 1.597 1.00 0.08 N ATOM 2053 CA SER A 133 22.593 -6.556 1.135 1.00 0.10 C ATOM 2054 C SER A 133 23.694 -5.623 0.633 1.00 0.08 C ATOM 2055 O SER A 133 24.861 -6.005 0.520 1.00 0.11 O ATOM 2056 CB SER A 133 22.119 -7.536 0.071 1.00 0.13 C ATOM 2057 OG SER A 133 23.152 -7.912 -0.827 1.00 1.33 O ATOM 0 H SER A 133 20.714 -5.699 0.926 1.00 0.08 H new ATOM 0 HA SER A 133 23.020 -7.140 1.950 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.722 -8.428 0.556 1.00 0.13 H new ATOM 0 HB3 SER A 133 21.300 -7.087 -0.491 1.00 0.13 H new ATOM 0 HG SER A 133 22.797 -8.542 -1.488 1.00 1.33 H new ATOM 2063 N LEU A 134 23.293 -4.392 0.349 1.00 0.08 N ATOM 2064 CA LEU A 134 24.210 -3.298 0.083 1.00 0.08 C ATOM 2065 C LEU A 134 24.738 -2.779 1.413 1.00 0.08 C ATOM 2066 O LEU A 134 25.863 -2.284 1.507 1.00 0.10 O ATOM 2067 CB LEU A 134 23.490 -2.167 -0.641 1.00 0.07 C ATOM 2068 CG LEU A 134 23.279 -2.278 -2.146 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.653 -3.588 -2.559 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.418 -1.116 -2.575 1.00 0.08 C ATOM 0 H LEU A 134 22.310 -4.124 0.297 1.00 0.08 H new ATOM 0 HA LEU A 134 25.027 -3.654 -0.545 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.510 -2.049 -0.178 1.00 0.07 H new ATOM 0 HB3 LEU A 134 24.045 -1.248 -0.452 1.00 0.07 H new ATOM 0 HG LEU A 134 24.251 -2.250 -2.639 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.528 -3.606 -3.642 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.298 -4.412 -2.254 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.680 -3.693 -2.080 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.248 -1.167 -3.650 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.462 -1.160 -2.054 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.921 -0.181 -2.331 1.00 0.08 H new ATOM 2082 N GLY A 135 23.895 -2.894 2.441 1.00 0.09 N ATOM 2083 CA GLY A 135 24.272 -2.476 3.776 1.00 0.12 C ATOM 2084 C GLY A 135 25.050 -3.544 4.519 1.00 0.27 C ATOM 2085 O GLY A 135 24.931 -3.617 5.759 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.786 -4.314 3.867 1.00 1.19 O ATOM 0 H GLY A 135 22.951 -3.273 2.367 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.874 -1.570 3.713 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.375 -2.224 4.342 1.00 0.12 H new TER 2090 GLY A 135