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 36 TYR OH : rot 180:sc= 0.137 USER MOD Set 1.2: A 77 SER OG : rot -52:sc= 1.02 USER MOD Set 1.3: A 81 GLN :FLIP amide:sc= -0.243 F(o=-0.29,f=0.91) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.537! C(o=-0.0046!,f=-16!) USER MOD Set 2.2: A 74 LYS NZ :NH3+ -140:sc= 0.532 (180deg=0) USER MOD Set 3.1: A 38 ASN : amide:sc= -0.48 K(o=-0.42,f=-6.8!) USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= 0.0646 USER MOD Set 4.1: A 2 HIS : no HD1:sc= -0.123 K(o=-0.25,f=-1.4) USER MOD Set 4.2: A 4 GLN :FLIP amide:sc= -0.126 F(o=-0.98,f=-0.25) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0782 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 63:sc= 0.332 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -154:sc= 1.29 (180deg=1.24) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.0323 F(o=-1.3!,f=-0.032) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 163:sc= 0.0137 USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00349 USER MOD Single : A 21 ASN : amide:sc= 0.333 K(o=0.33,f=-0.43) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.89! C(o=-6!,f=-2.9!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.00531 USER MOD Single : A 30 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -0.979! (180deg=-1.51!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -5.71! 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= -0.0599 F(o=-1.5,f=-0.06) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.164 (180deg=-0.568) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00476 X(o=-0.0048,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.12) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.0156 (180deg=-0.193) USER MOD Single : A 65 SER OG : rot 144:sc= -0.253 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -6.2! C(o=-8.8!,f=-6.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0.956 (180deg=0.955) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 104:sc= 1.17 USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0095) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.6 F(o=-2.3!,f=-1.6) USER MOD Single : A 89 ASN : amide:sc= -6.87! C(o=-6.9!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -3.69! C(o=-3.7!,f=-16!) 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+ -161:sc= 1.23 (180deg=0.766) USER MOD Single : A 109 LYS NZ :NH3+ -156:sc= 0.739 (180deg=0.332) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 118 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.18) USER MOD Single : A 119 THR OG1 : rot -81:sc= 0.0898! USER MOD Single : A 121 ASN : amide:sc= -3.75! C(o=-3.8!,f=-7.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 77:sc= 0.232 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.090 7.760 26.377 1.00 22.48 N ATOM 2 CA GLY A 1 -37.370 7.256 25.831 1.00 22.34 C ATOM 3 C GLY A 1 -37.883 6.055 26.599 1.00 22.10 C ATOM 4 O GLY A 1 -37.265 5.621 27.572 1.00 22.12 O ATOM 0 H1 GLY A 1 -36.199 8.756 26.655 1.00 22.48 H new ATOM 0 H2 GLY A 1 -35.821 7.196 27.209 1.00 22.48 H new ATOM 0 H3 GLY A 1 -35.349 7.682 25.652 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -38.115 8.051 25.862 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -37.236 6.986 24.784 1.00 22.34 H new ATOM 10 N HIS A 2 -39.004 5.506 26.157 1.00 21.98 N ATOM 11 CA HIS A 2 -39.606 4.360 26.822 1.00 21.88 C ATOM 12 C HIS A 2 -39.991 3.288 25.806 1.00 21.50 C ATOM 13 O HIS A 2 -40.966 2.559 25.997 1.00 21.64 O ATOM 14 CB HIS A 2 -40.825 4.790 27.655 1.00 22.32 C ATOM 15 CG HIS A 2 -41.917 5.457 26.872 1.00 22.67 C ATOM 16 ND1 HIS A 2 -43.119 4.852 26.593 1.00 22.91 N ATOM 17 CD2 HIS A 2 -41.985 6.691 26.321 1.00 22.94 C ATOM 18 CE1 HIS A 2 -43.878 5.679 25.901 1.00 23.31 C ATOM 19 NE2 HIS A 2 -43.213 6.804 25.723 1.00 23.33 N ATOM 0 H HIS A 2 -39.516 5.836 25.339 1.00 21.98 H new ATOM 0 HA HIS A 2 -38.868 3.934 27.501 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -41.237 3.911 28.151 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -40.491 5.470 28.438 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -41.214 7.447 26.348 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -44.875 5.471 25.541 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -43.556 7.624 25.222 1.00 23.33 H new ATOM 28 N MET A 3 -39.210 3.217 24.724 1.00 21.13 N ATOM 29 CA MET A 3 -39.378 2.201 23.679 1.00 20.87 C ATOM 30 C MET A 3 -40.694 2.373 22.919 1.00 20.26 C ATOM 31 O MET A 3 -41.774 2.089 23.439 1.00 20.24 O ATOM 32 CB MET A 3 -39.286 0.792 24.278 1.00 21.09 C ATOM 33 CG MET A 3 -39.477 -0.322 23.263 1.00 21.38 C ATOM 34 SD MET A 3 -39.344 -1.961 24.004 1.00 21.89 S ATOM 35 CE MET A 3 -39.658 -2.998 22.577 1.00 22.11 C ATOM 0 H MET A 3 -38.441 3.864 24.547 1.00 21.13 H new ATOM 0 HA MET A 3 -38.567 2.335 22.963 1.00 20.87 H new ATOM 0 HB2 MET A 3 -38.313 0.673 24.754 1.00 21.09 H new ATOM 0 HB3 MET A 3 -40.038 0.690 25.060 1.00 21.09 H new ATOM 0 HG2 MET A 3 -40.455 -0.217 22.793 1.00 21.38 H new ATOM 0 HG3 MET A 3 -38.732 -0.222 22.474 1.00 21.38 H new ATOM 0 HE1 MET A 3 -39.611 -4.046 22.872 1.00 22.11 H new ATOM 0 HE2 MET A 3 -40.648 -2.778 22.178 1.00 22.11 H new ATOM 0 HE3 MET A 3 -38.907 -2.802 21.812 1.00 22.11 H new ATOM 45 N GLN A 4 -40.596 2.841 21.684 1.00 19.88 N ATOM 46 CA GLN A 4 -41.766 2.995 20.831 1.00 19.37 C ATOM 47 C GLN A 4 -41.889 1.802 19.886 1.00 18.69 C ATOM 48 O GLN A 4 -42.578 0.827 20.187 1.00 18.61 O ATOM 49 CB GLN A 4 -41.681 4.294 20.024 1.00 19.44 C ATOM 50 CG GLN A 4 -41.601 5.549 20.877 1.00 19.70 C ATOM 51 CD GLN A 4 -42.824 5.758 21.752 1.00 20.20 C ATOM 52 OE1 GLN A 4 -43.984 5.324 21.279 1.00 20.59 O flip ATOM 53 NE2 GLN A 4 -42.724 6.318 22.844 1.00 20.31 N flip ATOM 0 H GLN A 4 -39.717 3.121 21.249 1.00 19.88 H new ATOM 0 HA GLN A 4 -42.650 3.039 21.467 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -40.805 4.251 19.377 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -42.554 4.364 19.375 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -40.715 5.494 21.510 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -41.476 6.415 20.227 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -41.812 6.637 23.172 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -43.553 6.463 23.421 1.00 20.31 H new ATOM 62 N VAL A 5 -41.197 1.881 18.758 1.00 18.32 N ATOM 63 CA VAL A 5 -41.202 0.816 17.764 1.00 17.78 C ATOM 64 C VAL A 5 -39.791 0.602 17.236 1.00 17.06 C ATOM 65 O VAL A 5 -38.956 1.501 17.340 1.00 16.99 O ATOM 66 CB VAL A 5 -42.145 1.130 16.577 1.00 18.09 C ATOM 67 CG1 VAL A 5 -43.597 1.150 17.028 1.00 18.26 C ATOM 68 CG2 VAL A 5 -41.772 2.454 15.925 1.00 18.37 C ATOM 0 H VAL A 5 -40.618 2.682 18.506 1.00 18.32 H new ATOM 0 HA VAL A 5 -41.568 -0.086 18.255 1.00 17.78 H new ATOM 0 HB VAL A 5 -42.028 0.338 15.837 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -44.240 1.373 16.176 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -43.864 0.176 17.439 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -43.730 1.915 17.793 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -42.448 2.653 15.094 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -41.852 3.256 16.659 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -40.748 2.402 15.555 1.00 18.37 H new ATOM 78 N ALA A 6 -39.538 -0.583 16.680 1.00 16.65 N ATOM 79 CA ALA A 6 -38.225 -0.932 16.136 1.00 16.09 C ATOM 80 C ALA A 6 -37.139 -0.816 17.203 1.00 15.56 C ATOM 81 O ALA A 6 -36.533 0.242 17.382 1.00 15.23 O ATOM 82 CB ALA A 6 -37.892 -0.063 14.927 1.00 16.02 C ATOM 0 H ALA A 6 -40.233 -1.325 16.594 1.00 16.65 H new ATOM 0 HA ALA A 6 -38.263 -1.971 15.809 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -36.912 -0.340 14.539 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -38.644 -0.213 14.153 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -37.882 0.986 15.224 1.00 16.02 H new ATOM 88 N ARG A 7 -36.889 -1.914 17.905 1.00 15.63 N ATOM 89 CA ARG A 7 -35.934 -1.921 19.010 1.00 15.34 C ATOM 90 C ARG A 7 -34.511 -1.660 18.520 1.00 14.74 C ATOM 91 O ARG A 7 -33.641 -1.264 19.299 1.00 14.45 O ATOM 92 CB ARG A 7 -36.003 -3.247 19.771 1.00 15.83 C ATOM 93 CG ARG A 7 -35.599 -4.457 18.943 1.00 16.12 C ATOM 94 CD ARG A 7 -35.844 -5.749 19.701 1.00 16.49 C ATOM 95 NE ARG A 7 -35.372 -6.920 18.966 1.00 16.78 N ATOM 96 CZ ARG A 7 -35.667 -8.176 19.299 1.00 17.15 C ATOM 97 NH1 ARG A 7 -36.456 -8.426 20.339 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -35.175 -9.182 18.586 1.00 17.53 N ATOM 0 H ARG A 7 -37.335 -2.814 17.729 1.00 15.63 H new ATOM 0 HA ARG A 7 -36.206 -1.113 19.689 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -35.356 -3.186 20.646 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -37.020 -3.392 20.136 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -36.163 -4.467 18.010 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -34.545 -4.383 18.677 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -35.341 -5.702 20.667 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -36.910 -5.854 19.901 1.00 16.49 H new ATOM 0 HE ARG A 7 -34.781 -6.767 18.149 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -36.838 -7.655 20.886 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -36.679 -9.389 20.590 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -34.572 -8.993 17.785 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -35.400 -10.144 18.839 1.00 17.53 H new ATOM 112 N SER A 8 -34.294 -1.883 17.224 1.00 14.73 N ATOM 113 CA SER A 8 -33.017 -1.608 16.576 1.00 14.36 C ATOM 114 C SER A 8 -31.892 -2.439 17.196 1.00 13.83 C ATOM 115 O SER A 8 -32.142 -3.481 17.808 1.00 13.83 O ATOM 116 CB SER A 8 -32.702 -0.112 16.674 1.00 14.71 C ATOM 117 OG SER A 8 -33.802 0.666 16.226 1.00 15.09 O ATOM 0 H SER A 8 -35.002 -2.260 16.595 1.00 14.73 H new ATOM 0 HA SER A 8 -33.092 -1.889 15.526 1.00 14.36 H new ATOM 0 HB2 SER A 8 -32.464 0.147 17.706 1.00 14.71 H new ATOM 0 HB3 SER A 8 -31.820 0.118 16.076 1.00 14.71 H new ATOM 0 HG SER A 8 -34.573 0.511 16.811 1.00 15.09 H new ATOM 123 N THR A 9 -30.657 -2.004 17.009 1.00 13.57 N ATOM 124 CA THR A 9 -29.525 -2.657 17.637 1.00 13.24 C ATOM 125 C THR A 9 -29.259 -2.034 19.006 1.00 12.78 C ATOM 126 O THR A 9 -29.339 -2.712 20.035 1.00 12.86 O ATOM 127 CB THR A 9 -28.266 -2.553 16.754 1.00 13.31 C ATOM 128 OG1 THR A 9 -28.557 -3.050 15.439 1.00 13.75 O ATOM 129 CG2 THR A 9 -27.110 -3.339 17.352 1.00 13.07 C ATOM 0 H THR A 9 -30.415 -1.202 16.427 1.00 13.57 H new ATOM 0 HA THR A 9 -29.765 -3.713 17.762 1.00 13.24 H new ATOM 0 HB THR A 9 -27.974 -1.504 16.697 1.00 13.31 H new ATOM 0 HG1 THR A 9 -27.756 -2.981 14.879 1.00 13.75 H new ATOM 0 HG21 THR A 9 -26.236 -3.247 16.708 1.00 13.07 H new ATOM 0 HG22 THR A 9 -26.875 -2.945 18.341 1.00 13.07 H new ATOM 0 HG23 THR A 9 -27.389 -4.389 17.437 1.00 13.07 H new ATOM 137 N LYS A 10 -28.974 -0.737 19.012 1.00 12.51 N ATOM 138 CA LYS A 10 -28.713 -0.003 20.242 1.00 12.26 C ATOM 139 C LYS A 10 -28.800 1.496 19.954 1.00 11.57 C ATOM 140 O LYS A 10 -29.614 2.208 20.538 1.00 11.56 O ATOM 141 CB LYS A 10 -27.326 -0.377 20.798 1.00 12.85 C ATOM 142 CG LYS A 10 -27.116 -0.058 22.277 1.00 13.32 C ATOM 143 CD LYS A 10 -27.001 1.435 22.536 1.00 13.86 C ATOM 144 CE LYS A 10 -26.729 1.738 24.000 1.00 14.21 C ATOM 145 NZ LYS A 10 -26.621 3.201 24.250 1.00 14.58 N1+ ATOM 0 H LYS A 10 -28.918 -0.168 18.168 1.00 12.51 H new ATOM 0 HA LYS A 10 -29.457 -0.264 20.995 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -27.166 -1.444 20.646 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -26.566 0.145 20.218 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -27.948 -0.461 22.855 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -26.212 -0.556 22.629 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -26.199 1.849 21.925 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -27.923 1.929 22.229 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -27.530 1.323 24.612 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -25.805 1.247 24.307 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -26.029 3.367 25.089 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -26.190 3.663 23.424 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -27.569 3.596 24.412 1.00 14.58 H new ATOM 159 N GLU A 11 -27.960 1.952 19.034 1.00 11.20 N ATOM 160 CA GLU A 11 -27.954 3.344 18.598 1.00 10.71 C ATOM 161 C GLU A 11 -27.915 3.400 17.079 1.00 9.66 C ATOM 162 O GLU A 11 -27.447 2.463 16.436 1.00 9.26 O ATOM 163 CB GLU A 11 -26.745 4.082 19.180 1.00 11.05 C ATOM 164 CG GLU A 11 -26.876 4.395 20.661 1.00 11.92 C ATOM 165 CD GLU A 11 -25.586 4.898 21.273 1.00 12.59 C ATOM 166 OE1 GLU A 11 -25.052 5.924 20.800 1.00 13.16 O ATOM 167 OE2 GLU A 11 -25.102 4.276 22.242 1.00 12.70 O1- ATOM 0 H GLU A 11 -27.264 1.369 18.569 1.00 11.20 H new ATOM 0 HA GLU A 11 -28.861 3.831 18.956 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -25.851 3.478 19.023 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -26.601 5.013 18.632 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -27.655 5.144 20.801 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -27.198 3.498 21.190 1.00 11.92 H new ATOM 174 N ILE A 12 -28.422 4.477 16.503 1.00 9.40 N ATOM 175 CA ILE A 12 -28.433 4.625 15.056 1.00 8.58 C ATOM 176 C ILE A 12 -27.099 5.177 14.569 1.00 8.21 C ATOM 177 O ILE A 12 -26.920 6.388 14.430 1.00 8.57 O ATOM 178 CB ILE A 12 -29.581 5.541 14.573 1.00 8.89 C ATOM 179 CG1 ILE A 12 -30.933 4.982 15.026 1.00 9.53 C ATOM 180 CG2 ILE A 12 -29.544 5.681 13.056 1.00 8.32 C ATOM 181 CD1 ILE A 12 -32.112 5.830 14.603 1.00 10.10 C ATOM 0 H ILE A 12 -28.831 5.260 17.013 1.00 9.40 H new ATOM 0 HA ILE A 12 -28.596 3.633 14.634 1.00 8.58 H new ATOM 0 HB ILE A 12 -29.449 6.529 15.015 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -31.055 3.977 14.621 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -30.933 4.890 16.112 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -30.358 6.329 12.730 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -28.591 6.116 12.754 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -29.656 4.699 12.597 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -33.035 5.373 14.959 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -32.014 6.828 15.029 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -32.138 5.901 13.516 1.00 10.10 H new ATOM 193 N GLU A 13 -26.154 4.280 14.350 1.00 7.77 N ATOM 194 CA GLU A 13 -24.851 4.653 13.843 1.00 7.68 C ATOM 195 C GLU A 13 -24.475 3.753 12.683 1.00 6.98 C ATOM 196 O GLU A 13 -24.366 4.194 11.540 1.00 6.99 O ATOM 197 CB GLU A 13 -23.795 4.500 14.927 1.00 8.41 C ATOM 198 CG GLU A 13 -24.179 5.086 16.264 1.00 9.30 C ATOM 199 CD GLU A 13 -23.079 4.923 17.283 1.00 10.20 C ATOM 200 OE1 GLU A 13 -22.791 3.772 17.669 1.00 10.61 O ATOM 201 OE2 GLU A 13 -22.508 5.943 17.722 1.00 10.66 O1- ATOM 0 H GLU A 13 -26.269 3.281 14.518 1.00 7.77 H new ATOM 0 HA GLU A 13 -24.897 5.692 13.518 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -23.579 3.440 15.058 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -22.874 4.974 14.588 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -24.410 6.145 16.144 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -25.085 4.601 16.627 1.00 9.30 H new ATOM 208 N THR A 14 -24.289 2.485 13.005 1.00 6.67 N ATOM 209 CA THR A 14 -23.854 1.492 12.046 1.00 6.26 C ATOM 210 C THR A 14 -24.619 0.188 12.286 1.00 5.40 C ATOM 211 O THR A 14 -24.032 -0.866 12.532 1.00 5.42 O ATOM 212 CB THR A 14 -22.336 1.249 12.182 1.00 6.72 C ATOM 213 OG1 THR A 14 -21.644 2.506 12.253 1.00 7.42 O ATOM 214 CG2 THR A 14 -21.803 0.449 11.009 1.00 7.00 C ATOM 0 H THR A 14 -24.437 2.116 13.944 1.00 6.67 H new ATOM 0 HA THR A 14 -24.058 1.851 11.037 1.00 6.26 H new ATOM 0 HB THR A 14 -22.167 0.681 13.096 1.00 6.72 H new ATOM 0 HG1 THR A 14 -20.681 2.345 12.341 1.00 7.42 H new ATOM 0 HG21 THR A 14 -20.731 0.293 11.132 1.00 7.00 H new ATOM 0 HG22 THR A 14 -22.308 -0.516 10.968 1.00 7.00 H new ATOM 0 HG23 THR A 14 -21.987 0.994 10.083 1.00 7.00 H new ATOM 222 N SER A 15 -25.940 0.275 12.230 1.00 5.02 N ATOM 223 CA SER A 15 -26.796 -0.859 12.550 1.00 4.54 C ATOM 224 C SER A 15 -26.837 -1.876 11.410 1.00 3.88 C ATOM 225 O SER A 15 -27.181 -3.042 11.618 1.00 4.02 O ATOM 226 CB SER A 15 -28.203 -0.365 12.870 1.00 5.20 C ATOM 227 OG SER A 15 -28.169 0.599 13.910 1.00 6.06 O ATOM 0 H SER A 15 -26.444 1.121 11.965 1.00 5.02 H new ATOM 0 HA SER A 15 -26.379 -1.363 13.422 1.00 4.54 H new ATOM 0 HB2 SER A 15 -28.653 0.070 11.978 1.00 5.20 H new ATOM 0 HB3 SER A 15 -28.831 -1.205 13.166 1.00 5.20 H new ATOM 0 HG SER A 15 -29.080 0.906 14.101 1.00 6.06 H new ATOM 233 N GLN A 16 -26.485 -1.443 10.211 1.00 3.65 N ATOM 234 CA GLN A 16 -26.463 -2.339 9.068 1.00 3.49 C ATOM 235 C GLN A 16 -25.133 -2.206 8.330 1.00 2.88 C ATOM 236 O GLN A 16 -25.072 -2.221 7.099 1.00 3.21 O ATOM 237 CB GLN A 16 -27.658 -2.055 8.155 1.00 4.06 C ATOM 238 CG GLN A 16 -27.854 -3.085 7.051 1.00 4.50 C ATOM 239 CD GLN A 16 -29.158 -2.910 6.293 1.00 5.43 C ATOM 240 OE1 GLN A 16 -30.194 -2.449 6.976 1.00 5.86 O flip ATOM 241 NE2 GLN A 16 -29.235 -3.207 5.103 1.00 6.06 N flip ATOM 0 H GLN A 16 -26.212 -0.482 10.005 1.00 3.65 H new ATOM 0 HA GLN A 16 -26.550 -3.371 9.408 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -28.563 -2.011 8.761 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -27.530 -1.072 7.702 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -27.022 -3.019 6.350 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -27.826 -4.084 7.486 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -28.414 -3.559 4.611 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -30.120 -3.101 4.607 1.00 6.06 H new ATOM 250 N SER A 17 -24.067 -2.068 9.116 1.00 2.48 N ATOM 251 CA SER A 17 -22.706 -1.952 8.594 1.00 2.00 C ATOM 252 C SER A 17 -22.548 -0.755 7.661 1.00 1.45 C ATOM 253 O SER A 17 -23.415 0.115 7.584 1.00 1.99 O ATOM 254 CB SER A 17 -22.309 -3.227 7.861 1.00 2.29 C ATOM 255 OG SER A 17 -22.493 -4.367 8.685 1.00 2.91 O ATOM 0 H SER A 17 -24.122 -2.033 10.134 1.00 2.48 H new ATOM 0 HA SER A 17 -22.048 -1.799 9.449 1.00 2.00 H new ATOM 0 HB2 SER A 17 -22.905 -3.330 6.954 1.00 2.29 H new ATOM 0 HB3 SER A 17 -21.266 -3.163 7.551 1.00 2.29 H new ATOM 0 HG SER A 17 -22.233 -5.173 8.191 1.00 2.91 H new ATOM 261 N THR A 18 -21.419 -0.720 6.970 1.00 1.04 N ATOM 262 CA THR A 18 -21.089 0.366 6.072 1.00 0.58 C ATOM 263 C THR A 18 -20.405 -0.167 4.831 1.00 0.63 C ATOM 264 O THR A 18 -19.897 -1.284 4.833 1.00 1.40 O ATOM 265 CB THR A 18 -20.171 1.375 6.767 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.058 0.700 7.373 1.00 1.44 O ATOM 267 CG2 THR A 18 -20.942 2.135 7.821 1.00 1.26 C ATOM 0 H THR A 18 -20.706 -1.448 7.019 1.00 1.04 H new ATOM 0 HA THR A 18 -22.015 0.865 5.786 1.00 0.58 H new ATOM 0 HB THR A 18 -19.796 2.076 6.022 1.00 0.91 H new ATOM 0 HG1 THR A 18 -18.351 1.349 7.572 1.00 1.44 H new ATOM 0 HG21 THR A 18 -20.281 2.850 8.310 1.00 1.26 H new ATOM 0 HG22 THR A 18 -21.770 2.667 7.353 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.332 1.436 8.561 1.00 1.26 H new ATOM 275 N THR A 19 -20.412 0.610 3.766 1.00 0.61 N ATOM 276 CA THR A 19 -19.690 0.237 2.566 1.00 0.56 C ATOM 277 C THR A 19 -19.140 1.466 1.873 1.00 0.64 C ATOM 278 O THR A 19 -19.762 2.530 1.861 1.00 1.25 O ATOM 279 CB THR A 19 -20.561 -0.572 1.585 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.154 -1.690 2.260 1.00 0.66 O ATOM 281 CG2 THR A 19 -19.721 -1.076 0.420 1.00 0.66 C ATOM 0 H THR A 19 -20.907 1.500 3.707 1.00 0.61 H new ATOM 0 HA THR A 19 -18.866 -0.404 2.879 1.00 0.56 H new ATOM 0 HB THR A 19 -21.346 0.081 1.204 1.00 0.63 H new ATOM 0 HG1 THR A 19 -21.707 -2.197 1.629 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.351 -1.645 -0.263 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.286 -0.228 -0.109 1.00 0.66 H new ATOM 0 HG23 THR A 19 -18.923 -1.716 0.797 1.00 0.66 H new ATOM 289 N ALA A 20 -17.956 1.301 1.320 1.00 0.26 N ATOM 290 CA ALA A 20 -17.224 2.380 0.712 1.00 0.22 C ATOM 291 C ALA A 20 -17.798 2.779 -0.616 1.00 0.24 C ATOM 292 O ALA A 20 -18.693 2.139 -1.169 1.00 0.39 O ATOM 293 CB ALA A 20 -15.787 2.001 0.530 1.00 0.31 C ATOM 0 H ALA A 20 -17.475 0.403 1.282 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.303 3.232 1.387 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.248 2.829 0.069 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.344 1.776 1.500 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.721 1.123 -0.112 1.00 0.31 H new ATOM 299 N ASN A 21 -17.219 3.826 -1.120 1.00 0.23 N ATOM 300 CA ASN A 21 -17.641 4.453 -2.331 1.00 0.24 C ATOM 301 C ASN A 21 -16.557 4.237 -3.353 1.00 0.25 C ATOM 302 O ASN A 21 -15.400 4.101 -2.997 1.00 0.26 O ATOM 303 CB ASN A 21 -17.831 5.932 -2.026 1.00 0.27 C ATOM 304 CG ASN A 21 -18.854 6.131 -0.911 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.017 6.446 -1.173 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.443 5.893 0.337 1.00 0.35 N ATOM 0 H ASN A 21 -16.416 4.280 -0.685 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.575 4.045 -2.719 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.878 6.372 -1.733 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.161 6.453 -2.925 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.100 5.970 1.114 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.472 5.635 0.514 1.00 0.35 H new ATOM 313 N GLN A 22 -16.905 4.178 -4.611 1.00 0.34 N ATOM 314 CA GLN A 22 -15.906 3.941 -5.635 1.00 0.40 C ATOM 315 C GLN A 22 -15.099 5.195 -5.898 1.00 0.42 C ATOM 316 O GLN A 22 -14.086 5.155 -6.584 1.00 0.48 O ATOM 317 CB GLN A 22 -16.553 3.444 -6.915 1.00 0.51 C ATOM 318 CG GLN A 22 -16.486 1.937 -7.098 1.00 0.51 C ATOM 319 CD GLN A 22 -16.661 1.188 -5.799 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.565 1.019 -5.091 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.762 0.791 -5.421 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.859 4.288 -4.955 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.228 3.168 -5.273 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.598 3.755 -6.926 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -16.069 3.925 -7.765 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -17.259 1.625 -7.800 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.526 1.670 -7.541 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.586 0.943 -6.002 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -17.851 0.309 -4.526 1.00 0.38 H new ATOM 330 N SER A 23 -15.538 6.302 -5.340 1.00 0.41 N ATOM 331 CA SER A 23 -14.747 7.501 -5.350 1.00 0.47 C ATOM 332 C SER A 23 -13.746 7.425 -4.217 1.00 0.41 C ATOM 333 O SER A 23 -12.761 8.164 -4.172 1.00 0.49 O ATOM 334 CB SER A 23 -15.640 8.736 -5.226 1.00 0.52 C ATOM 335 OG SER A 23 -16.546 8.595 -4.145 1.00 1.36 O ATOM 0 H SER A 23 -16.441 6.391 -4.874 1.00 0.41 H new ATOM 0 HA SER A 23 -14.212 7.588 -6.296 1.00 0.47 H new ATOM 0 HB2 SER A 23 -15.024 9.623 -5.077 1.00 0.52 H new ATOM 0 HB3 SER A 23 -16.193 8.885 -6.153 1.00 0.52 H new ATOM 0 HG SER A 23 -17.107 9.396 -4.082 1.00 1.36 H new ATOM 341 N ASP A 24 -14.003 6.482 -3.325 1.00 0.31 N ATOM 342 CA ASP A 24 -13.128 6.204 -2.223 1.00 0.34 C ATOM 343 C ASP A 24 -12.178 5.113 -2.624 1.00 0.35 C ATOM 344 O ASP A 24 -10.966 5.198 -2.452 1.00 0.53 O ATOM 345 CB ASP A 24 -13.914 5.709 -1.023 1.00 0.36 C ATOM 346 CG ASP A 24 -14.901 6.715 -0.483 1.00 0.86 C ATOM 347 OD1 ASP A 24 -15.849 6.293 0.209 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.738 7.925 -0.745 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.833 5.890 -3.355 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.600 7.121 -1.962 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.450 4.802 -1.301 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.216 5.437 -0.231 1.00 0.36 H new ATOM 353 N VAL A 25 -12.776 4.097 -3.205 1.00 0.22 N ATOM 354 CA VAL A 25 -12.130 2.833 -3.408 1.00 0.20 C ATOM 355 C VAL A 25 -11.255 2.817 -4.648 1.00 0.22 C ATOM 356 O VAL A 25 -10.111 2.382 -4.597 1.00 0.23 O ATOM 357 CB VAL A 25 -13.175 1.708 -3.483 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.550 0.407 -3.944 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.857 1.527 -2.145 1.00 0.85 C ATOM 0 H VAL A 25 -13.735 4.132 -3.551 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.476 2.669 -2.552 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.925 1.996 -4.219 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.314 -0.369 -3.987 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.115 0.543 -4.934 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.770 0.110 -3.243 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.593 0.727 -2.217 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.114 1.270 -1.390 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.356 2.454 -1.862 1.00 0.85 H new ATOM 369 N ASP A 26 -11.809 3.279 -5.748 1.00 0.25 N ATOM 370 CA ASP A 26 -11.126 3.246 -7.039 1.00 0.27 C ATOM 371 C ASP A 26 -9.756 3.917 -6.986 1.00 0.23 C ATOM 372 O ASP A 26 -8.756 3.278 -7.262 1.00 0.22 O ATOM 373 CB ASP A 26 -11.977 3.900 -8.124 1.00 0.32 C ATOM 374 CG ASP A 26 -11.315 3.862 -9.486 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.326 2.790 -10.126 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.789 4.907 -9.925 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.743 3.689 -5.781 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.975 2.195 -7.284 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.941 3.394 -8.179 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.176 4.936 -7.850 1.00 0.32 H new ATOM 381 N ASP A 27 -9.713 5.196 -6.612 1.00 0.22 N ATOM 382 CA ASP A 27 -8.453 5.942 -6.561 1.00 0.21 C ATOM 383 C ASP A 27 -7.565 5.366 -5.500 1.00 0.16 C ATOM 384 O ASP A 27 -6.348 5.354 -5.648 1.00 0.16 O ATOM 385 CB ASP A 27 -8.653 7.429 -6.256 1.00 0.24 C ATOM 386 CG ASP A 27 -9.107 8.231 -7.460 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.328 8.444 -7.614 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.243 8.667 -8.251 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.534 5.737 -6.340 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.002 5.854 -7.549 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.390 7.534 -5.459 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.718 7.845 -5.882 1.00 0.24 H new ATOM 393 N PHE A 28 -8.182 4.903 -4.419 1.00 0.13 N ATOM 394 CA PHE A 28 -7.447 4.209 -3.390 1.00 0.10 C ATOM 395 C PHE A 28 -6.690 3.096 -4.042 1.00 0.10 C ATOM 396 O PHE A 28 -5.476 3.102 -4.113 1.00 0.09 O ATOM 397 CB PHE A 28 -8.358 3.602 -2.320 1.00 0.09 C ATOM 398 CG PHE A 28 -7.604 2.729 -1.375 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.898 3.290 -0.340 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.569 1.357 -1.540 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.170 2.509 0.515 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.844 0.572 -0.687 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.138 1.141 0.340 1.00 0.08 C ATOM 0 H PHE A 28 -9.182 4.999 -4.241 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.793 4.929 -2.898 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.847 4.402 -1.764 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.145 3.021 -2.801 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.918 4.361 -0.199 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.119 0.901 -2.350 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.621 2.963 1.326 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.828 -0.499 -0.823 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.559 0.522 1.009 1.00 0.08 H new ATOM 413 N ASN A 29 -7.468 2.195 -4.585 1.00 0.12 N ATOM 414 CA ASN A 29 -6.974 0.982 -5.204 1.00 0.13 C ATOM 415 C ASN A 29 -6.054 1.282 -6.341 1.00 0.13 C ATOM 416 O ASN A 29 -5.112 0.553 -6.599 1.00 0.14 O ATOM 417 CB ASN A 29 -8.149 0.175 -5.724 1.00 0.19 C ATOM 418 CG ASN A 29 -8.672 -0.777 -4.699 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.289 -1.935 -4.672 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.529 -0.286 -3.830 1.00 0.23 N ATOM 0 H ASN A 29 -8.484 2.282 -4.612 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.420 0.420 -4.452 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.946 0.852 -6.030 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.843 -0.380 -6.611 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.904 -0.881 -3.091 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.819 0.690 -3.895 1.00 0.23 H new ATOM 427 N THR A 30 -6.331 2.357 -7.010 1.00 0.13 N ATOM 428 CA THR A 30 -5.589 2.715 -8.167 1.00 0.14 C ATOM 429 C THR A 30 -4.227 3.238 -7.799 1.00 0.12 C ATOM 430 O THR A 30 -3.219 2.796 -8.338 1.00 0.12 O ATOM 431 CB THR A 30 -6.331 3.774 -8.965 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.498 3.216 -9.583 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.422 4.380 -10.002 1.00 0.17 C ATOM 0 H THR A 30 -7.078 3.007 -6.766 1.00 0.13 H new ATOM 0 HA THR A 30 -5.469 1.817 -8.772 1.00 0.14 H new ATOM 0 HB THR A 30 -6.650 4.561 -8.281 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.169 3.020 -8.897 1.00 0.20 H new ATOM 0 HG21 THR A 30 -5.967 5.137 -10.566 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.565 4.841 -9.510 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.075 3.601 -10.681 1.00 0.17 H new ATOM 441 N LEU A 31 -4.207 4.168 -6.868 1.00 0.12 N ATOM 442 CA LEU A 31 -2.980 4.763 -6.427 1.00 0.12 C ATOM 443 C LEU A 31 -2.193 3.692 -5.726 1.00 0.11 C ATOM 444 O LEU A 31 -0.991 3.596 -5.852 1.00 0.12 O ATOM 445 CB LEU A 31 -3.300 5.923 -5.496 1.00 0.14 C ATOM 446 CG LEU A 31 -2.196 6.965 -5.340 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.724 7.419 -6.709 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.718 8.146 -4.554 1.00 0.53 C ATOM 0 H LEU A 31 -5.041 4.526 -6.402 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.395 5.157 -7.258 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.197 6.422 -5.861 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.537 5.521 -4.511 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.356 6.524 -4.803 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.936 8.163 -6.594 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.337 6.563 -7.263 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.559 7.857 -7.255 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.927 8.888 -4.444 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.562 8.590 -5.082 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.042 7.812 -3.568 1.00 0.53 H new ATOM 460 N TYR A 32 -2.944 2.845 -5.069 1.00 0.09 N ATOM 461 CA TYR A 32 -2.446 1.685 -4.360 1.00 0.07 C ATOM 462 C TYR A 32 -1.781 0.718 -5.317 1.00 0.08 C ATOM 463 O TYR A 32 -0.663 0.270 -5.090 1.00 0.08 O ATOM 464 CB TYR A 32 -3.655 1.061 -3.717 1.00 0.07 C ATOM 465 CG TYR A 32 -3.483 -0.313 -3.148 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.998 -0.509 -1.871 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.864 -1.415 -3.891 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.892 -1.773 -1.338 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.759 -2.687 -3.371 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.274 -2.863 -2.092 1.00 0.08 C ATOM 471 OH TYR A 32 -3.176 -4.133 -1.568 1.00 0.15 O ATOM 0 H TYR A 32 -3.957 2.945 -5.009 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.692 1.953 -3.620 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.993 1.720 -2.917 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.453 1.024 -4.458 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.697 0.344 -1.280 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.248 -1.277 -4.891 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.512 -1.911 -0.336 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -4.055 -3.541 -3.962 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.487 -4.785 -2.230 1.00 0.15 H new ATOM 481 N ASP A 33 -2.480 0.438 -6.404 1.00 0.10 N ATOM 482 CA ASP A 33 -1.984 -0.434 -7.452 1.00 0.11 C ATOM 483 C ASP A 33 -0.789 0.209 -8.088 1.00 0.09 C ATOM 484 O ASP A 33 0.095 -0.442 -8.640 1.00 0.11 O ATOM 485 CB ASP A 33 -3.049 -0.641 -8.521 1.00 0.16 C ATOM 486 CG ASP A 33 -3.725 -1.994 -8.412 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.453 -2.229 -7.423 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.532 -2.832 -9.318 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.412 0.812 -6.584 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.721 -1.398 -7.017 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.800 0.145 -8.438 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.594 -0.544 -9.507 1.00 0.16 H new ATOM 493 N ALA A 34 -0.799 1.510 -7.979 1.00 0.08 N ATOM 494 CA ALA A 34 0.184 2.361 -8.590 1.00 0.09 C ATOM 495 C ALA A 34 1.493 2.323 -7.829 1.00 0.08 C ATOM 496 O ALA A 34 2.566 2.432 -8.422 1.00 0.09 O ATOM 497 CB ALA A 34 -0.350 3.760 -8.626 1.00 0.10 C ATOM 0 H ALA A 34 -1.508 2.019 -7.450 1.00 0.08 H new ATOM 0 HA ALA A 34 0.382 2.007 -9.602 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.386 4.419 -9.088 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.272 3.783 -9.207 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.553 4.098 -7.610 1.00 0.10 H new ATOM 503 N PHE A 35 1.400 2.165 -6.504 1.00 0.06 N ATOM 504 CA PHE A 35 2.583 2.040 -5.663 1.00 0.06 C ATOM 505 C PHE A 35 3.345 0.826 -6.065 1.00 0.06 C ATOM 506 O PHE A 35 4.497 0.665 -5.732 1.00 0.08 O ATOM 507 CB PHE A 35 2.216 1.858 -4.212 1.00 0.05 C ATOM 508 CG PHE A 35 1.802 3.096 -3.526 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.656 3.746 -2.666 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.552 3.598 -3.736 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.256 4.893 -2.030 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.137 4.743 -3.116 1.00 0.06 C ATOM 513 CZ PHE A 35 0.993 5.396 -2.259 1.00 0.06 C ATOM 0 H PHE A 35 0.516 2.121 -5.997 1.00 0.06 H new ATOM 0 HA PHE A 35 3.166 2.953 -5.786 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.406 1.132 -4.143 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.070 1.434 -3.685 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.646 3.351 -2.491 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.122 3.082 -4.404 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.927 5.400 -1.353 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.854 5.132 -3.297 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.675 6.303 -1.766 1.00 0.06 H new ATOM 523 N TYR A 36 2.655 -0.051 -6.731 1.00 0.06 N ATOM 524 CA TYR A 36 3.249 -1.241 -7.232 1.00 0.06 C ATOM 525 C TYR A 36 3.622 -1.045 -8.672 1.00 0.08 C ATOM 526 O TYR A 36 2.837 -0.573 -9.494 1.00 0.11 O ATOM 527 CB TYR A 36 2.310 -2.417 -7.091 1.00 0.07 C ATOM 528 CG TYR A 36 1.872 -2.690 -5.683 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.736 -3.284 -4.782 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.589 -2.385 -5.266 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.328 -3.572 -3.496 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.173 -2.661 -3.984 1.00 0.08 C ATOM 533 CZ TYR A 36 1.042 -3.257 -3.103 1.00 0.07 C ATOM 534 OH TYR A 36 0.623 -3.545 -1.827 1.00 0.11 O ATOM 0 H TYR A 36 1.661 0.045 -6.940 1.00 0.06 H new ATOM 0 HA TYR A 36 4.145 -1.456 -6.650 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.428 -2.239 -7.706 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.799 -3.307 -7.486 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.743 -3.526 -5.089 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.098 -1.922 -5.959 1.00 0.07 H new ATOM 0 HE1 TYR A 36 3.009 -4.041 -2.801 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.830 -2.411 -3.672 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.307 -3.257 -1.715 1.00 0.11 H new ATOM 544 N THR A 37 4.848 -1.384 -8.944 1.00 0.08 N ATOM 545 CA THR A 37 5.397 -1.279 -10.290 1.00 0.11 C ATOM 546 C THR A 37 4.661 -2.219 -11.241 1.00 0.14 C ATOM 547 O THR A 37 4.686 -2.047 -12.462 1.00 0.17 O ATOM 548 CB THR A 37 6.904 -1.601 -10.318 1.00 0.12 C ATOM 549 OG1 THR A 37 7.109 -3.018 -10.352 1.00 0.14 O ATOM 550 CG2 THR A 37 7.575 -1.055 -9.088 1.00 0.11 C ATOM 0 H THR A 37 5.505 -1.742 -8.250 1.00 0.08 H new ATOM 0 HA THR A 37 5.260 -0.248 -10.615 1.00 0.11 H new ATOM 0 HB THR A 37 7.331 -1.143 -11.210 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.070 -3.209 -10.371 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.639 -1.289 -9.120 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.442 0.026 -9.051 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.131 -1.506 -8.201 1.00 0.11 H new ATOM 558 N ASN A 38 4.016 -3.222 -10.661 1.00 0.15 N ATOM 559 CA ASN A 38 3.229 -4.183 -11.414 1.00 0.26 C ATOM 560 C ASN A 38 1.983 -4.549 -10.622 1.00 0.29 C ATOM 561 O ASN A 38 1.923 -4.327 -9.413 1.00 0.71 O ATOM 562 CB ASN A 38 4.062 -5.437 -11.723 1.00 0.38 C ATOM 563 CG ASN A 38 4.621 -6.130 -10.484 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.029 -6.111 -9.407 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.774 -6.755 -10.633 1.00 0.99 N ATOM 0 H ASN A 38 4.025 -3.390 -9.655 1.00 0.15 H new ATOM 0 HA ASN A 38 2.930 -3.736 -12.362 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.444 -6.145 -12.275 1.00 0.38 H new ATOM 0 HB3 ASN A 38 4.889 -5.160 -12.376 1.00 0.38 H new ATOM 0 HD21 ASN A 38 6.197 -7.240 -9.842 1.00 0.99 H new ATOM 0 HD22 ASN A 38 6.242 -6.753 -11.539 1.00 0.99 H new ATOM 572 N SER A 39 0.991 -5.113 -11.294 1.00 0.33 N ATOM 573 CA SER A 39 -0.244 -5.495 -10.628 1.00 0.28 C ATOM 574 C SER A 39 -0.083 -6.796 -9.861 1.00 0.22 C ATOM 575 O SER A 39 -1.018 -7.259 -9.210 1.00 0.24 O ATOM 576 CB SER A 39 -1.382 -5.612 -11.629 1.00 0.35 C ATOM 577 OG SER A 39 -0.947 -6.237 -12.824 1.00 0.36 O ATOM 0 H SER A 39 1.016 -5.315 -12.293 1.00 0.33 H new ATOM 0 HA SER A 39 -0.486 -4.710 -9.912 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.198 -6.186 -11.191 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.775 -4.621 -11.855 1.00 0.35 H new ATOM 0 HG SER A 39 -1.697 -6.302 -13.451 1.00 0.36 H new ATOM 583 N ASN A 40 1.103 -7.390 -9.936 1.00 0.20 N ATOM 584 CA ASN A 40 1.421 -8.526 -9.086 1.00 0.20 C ATOM 585 C ASN A 40 1.696 -8.024 -7.684 1.00 0.16 C ATOM 586 O ASN A 40 1.658 -8.777 -6.712 1.00 0.18 O ATOM 587 CB ASN A 40 2.621 -9.321 -9.599 1.00 0.26 C ATOM 588 CG ASN A 40 2.387 -9.917 -10.974 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.860 -11.022 -11.103 1.00 1.09 O ATOM 590 ND2 ASN A 40 2.803 -9.207 -12.009 1.00 1.15 N ATOM 0 H ASN A 40 1.851 -7.106 -10.569 1.00 0.20 H new ATOM 0 HA ASN A 40 0.567 -9.203 -9.092 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.494 -8.670 -9.634 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.849 -10.121 -8.895 1.00 0.26 H new ATOM 0 HD21 ASN A 40 2.692 -9.571 -12.955 1.00 1.15 H new ATOM 0 HD22 ASN A 40 3.235 -8.295 -11.861 1.00 1.15 H new ATOM 597 N LYS A 41 1.955 -6.707 -7.612 1.00 0.13 N ATOM 598 CA LYS A 41 2.153 -6.000 -6.368 1.00 0.11 C ATOM 599 C LYS A 41 3.230 -6.657 -5.548 1.00 0.11 C ATOM 600 O LYS A 41 3.148 -6.772 -4.329 1.00 0.12 O ATOM 601 CB LYS A 41 0.820 -5.889 -5.675 1.00 0.11 C ATOM 602 CG LYS A 41 -0.226 -5.393 -6.641 1.00 0.13 C ATOM 603 CD LYS A 41 -1.604 -5.572 -6.097 1.00 0.17 C ATOM 604 CE LYS A 41 -2.262 -4.244 -5.899 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.744 -4.358 -5.889 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.030 -6.110 -8.436 1.00 0.13 H new ATOM 0 HA LYS A 41 2.517 -4.987 -6.539 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.527 -6.860 -5.276 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.897 -5.207 -4.828 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.053 -4.338 -6.856 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.134 -5.930 -7.585 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.196 -6.180 -6.781 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.561 -6.109 -5.149 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.925 -3.808 -4.959 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.955 -3.564 -6.694 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.137 -3.852 -6.708 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.015 -5.361 -5.939 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.118 -3.941 -5.013 1.00 0.66 H new ATOM 619 N THR A 42 4.257 -7.052 -6.277 1.00 0.11 N ATOM 620 CA THR A 42 5.422 -7.703 -5.732 1.00 0.12 C ATOM 621 C THR A 42 6.583 -6.728 -5.705 1.00 0.10 C ATOM 622 O THR A 42 7.660 -7.013 -5.184 1.00 0.13 O ATOM 623 CB THR A 42 5.774 -8.909 -6.602 1.00 0.16 C ATOM 624 OG1 THR A 42 5.918 -8.496 -7.972 1.00 0.18 O ATOM 625 CG2 THR A 42 4.671 -9.932 -6.495 1.00 0.21 C ATOM 0 H THR A 42 4.300 -6.924 -7.288 1.00 0.11 H new ATOM 0 HA THR A 42 5.216 -8.037 -4.715 1.00 0.12 H new ATOM 0 HB THR A 42 6.714 -9.343 -6.261 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.145 -9.272 -8.526 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.915 -10.796 -7.113 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.566 -10.247 -5.457 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.734 -9.494 -6.838 1.00 0.21 H new ATOM 633 N ALA A 43 6.316 -5.554 -6.244 1.00 0.09 N ATOM 634 CA ALA A 43 7.323 -4.539 -6.439 1.00 0.09 C ATOM 635 C ALA A 43 6.677 -3.178 -6.366 1.00 0.07 C ATOM 636 O ALA A 43 5.531 -3.010 -6.770 1.00 0.09 O ATOM 637 CB ALA A 43 8.004 -4.733 -7.774 1.00 0.10 C ATOM 0 H ALA A 43 5.386 -5.280 -6.560 1.00 0.09 H new ATOM 0 HA ALA A 43 8.078 -4.618 -5.657 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.762 -3.962 -7.911 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.476 -5.715 -7.802 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.266 -4.662 -8.573 1.00 0.10 H new ATOM 643 N LEU A 44 7.406 -2.217 -5.842 1.00 0.06 N ATOM 644 CA LEU A 44 6.854 -0.916 -5.564 1.00 0.06 C ATOM 645 C LEU A 44 7.571 0.235 -6.246 1.00 0.08 C ATOM 646 O LEU A 44 8.799 0.276 -6.342 1.00 0.09 O ATOM 647 CB LEU A 44 6.853 -0.718 -4.075 1.00 0.06 C ATOM 648 CG LEU A 44 5.829 -1.564 -3.365 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.479 -2.462 -2.352 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.870 -0.671 -2.682 1.00 0.05 C ATOM 0 H LEU A 44 8.392 -2.317 -5.599 1.00 0.06 H new ATOM 0 HA LEU A 44 5.845 -0.900 -5.976 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.843 -0.952 -3.683 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.663 0.332 -3.855 1.00 0.06 H new ATOM 0 HG LEU A 44 5.318 -2.189 -4.097 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.716 -3.061 -1.855 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.189 -3.121 -2.852 1.00 0.05 H new ATOM 0 HD13 LEU A 44 7.004 -1.857 -1.613 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.122 -1.270 -2.163 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.401 -0.050 -1.961 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.379 -0.034 -3.418 1.00 0.05 H new ATOM 662 N LYS A 45 6.756 1.166 -6.709 1.00 0.10 N ATOM 663 CA LYS A 45 7.197 2.384 -7.315 1.00 0.12 C ATOM 664 C LYS A 45 7.411 3.409 -6.253 1.00 0.12 C ATOM 665 O LYS A 45 6.570 3.618 -5.384 1.00 0.14 O ATOM 666 CB LYS A 45 6.162 2.916 -8.283 1.00 0.15 C ATOM 667 CG LYS A 45 6.378 2.493 -9.713 1.00 0.26 C ATOM 668 CD LYS A 45 7.635 3.099 -10.309 1.00 1.23 C ATOM 669 CE LYS A 45 7.709 2.832 -11.802 1.00 1.55 C ATOM 670 NZ LYS A 45 8.899 3.464 -12.424 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.740 1.081 -6.667 1.00 0.10 H new ATOM 0 HA LYS A 45 8.121 2.180 -7.856 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.175 2.582 -7.962 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.161 4.005 -8.234 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.443 1.406 -9.762 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.516 2.788 -10.311 1.00 0.26 H new ATOM 0 HD2 LYS A 45 7.647 4.174 -10.126 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.514 2.682 -9.817 1.00 1.23 H new ATOM 0 HE2 LYS A 45 7.738 1.756 -11.976 1.00 1.55 H new ATOM 0 HE3 LYS A 45 6.806 3.209 -12.282 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 8.910 3.256 -13.443 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 8.860 4.493 -12.281 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 9.762 3.086 -11.985 1.00 1.95 H new ATOM 684 N ASN A 46 8.500 4.083 -6.383 1.00 0.15 N ATOM 685 CA ASN A 46 8.981 4.943 -5.319 1.00 0.15 C ATOM 686 C ASN A 46 8.392 6.340 -5.401 1.00 0.14 C ATOM 687 O ASN A 46 8.294 7.044 -4.397 1.00 0.17 O ATOM 688 CB ASN A 46 10.490 4.980 -5.329 1.00 0.22 C ATOM 689 CG ASN A 46 11.012 3.613 -5.087 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.003 2.773 -5.979 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.454 3.376 -3.880 1.00 0.54 N ATOM 0 H ASN A 46 9.089 4.066 -7.215 1.00 0.15 H new ATOM 0 HA ASN A 46 8.647 4.523 -4.370 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.850 5.356 -6.287 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.854 5.663 -4.561 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.816 2.453 -3.641 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.437 4.114 -3.177 1.00 0.54 H new ATOM 698 N SER A 47 7.984 6.732 -6.598 1.00 0.14 N ATOM 699 CA SER A 47 7.339 8.021 -6.797 1.00 0.16 C ATOM 700 C SER A 47 5.972 8.033 -6.114 1.00 0.13 C ATOM 701 O SER A 47 5.474 9.080 -5.696 1.00 0.17 O ATOM 702 CB SER A 47 7.195 8.308 -8.296 1.00 0.21 C ATOM 703 OG SER A 47 6.678 9.608 -8.528 1.00 1.32 O ATOM 0 H SER A 47 8.088 6.176 -7.447 1.00 0.14 H new ATOM 0 HA SER A 47 7.955 8.802 -6.351 1.00 0.16 H new ATOM 0 HB2 SER A 47 8.166 8.209 -8.782 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.536 7.567 -8.748 1.00 0.21 H new ATOM 0 HG SER A 47 6.599 9.761 -9.493 1.00 1.32 H new ATOM 709 N GLN A 48 5.379 6.852 -5.982 1.00 0.10 N ATOM 710 CA GLN A 48 4.074 6.704 -5.373 1.00 0.10 C ATOM 711 C GLN A 48 4.127 6.926 -3.876 1.00 0.09 C ATOM 712 O GLN A 48 3.126 7.274 -3.272 1.00 0.10 O ATOM 713 CB GLN A 48 3.565 5.313 -5.665 1.00 0.13 C ATOM 714 CG GLN A 48 3.613 4.957 -7.139 1.00 0.15 C ATOM 715 CD GLN A 48 2.671 5.787 -7.987 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.529 6.157 -7.428 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.960 6.075 -9.147 1.00 0.49 N flip ATOM 0 H GLN A 48 5.794 5.974 -6.296 1.00 0.10 H new ATOM 0 HA GLN A 48 3.404 7.455 -5.791 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.158 4.591 -5.104 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.538 5.227 -5.310 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.631 5.089 -7.505 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.365 3.902 -7.259 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.850 5.771 -9.541 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.309 6.618 -9.715 1.00 0.49 H new ATOM 726 N PHE A 49 5.299 6.743 -3.287 1.00 0.09 N ATOM 727 CA PHE A 49 5.462 6.830 -1.839 1.00 0.09 C ATOM 728 C PHE A 49 4.969 8.162 -1.284 1.00 0.11 C ATOM 729 O PHE A 49 4.582 8.253 -0.121 1.00 0.13 O ATOM 730 CB PHE A 49 6.919 6.654 -1.433 1.00 0.09 C ATOM 731 CG PHE A 49 7.497 5.295 -1.676 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.702 4.968 -1.106 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.842 4.348 -2.440 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.256 3.729 -1.278 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.398 3.092 -2.627 1.00 0.11 C ATOM 736 CZ PHE A 49 8.607 2.783 -2.040 1.00 0.07 C ATOM 0 H PHE A 49 6.159 6.531 -3.792 1.00 0.09 H new ATOM 0 HA PHE A 49 4.859 6.023 -1.422 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.519 7.387 -1.973 1.00 0.09 H new ATOM 0 HB3 PHE A 49 7.013 6.885 -0.372 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.223 5.703 -0.510 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.892 4.588 -2.894 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.203 3.493 -0.816 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.886 2.357 -3.231 1.00 0.11 H new ATOM 0 HZ PHE A 49 9.043 1.804 -2.177 1.00 0.07 H new ATOM 746 N ASP A 50 4.974 9.187 -2.123 1.00 0.11 N ATOM 747 CA ASP A 50 4.556 10.518 -1.706 1.00 0.15 C ATOM 748 C ASP A 50 3.050 10.525 -1.528 1.00 0.15 C ATOM 749 O ASP A 50 2.491 11.265 -0.722 1.00 0.20 O ATOM 750 CB ASP A 50 4.967 11.547 -2.756 1.00 0.19 C ATOM 751 CG ASP A 50 4.726 12.976 -2.308 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.615 13.498 -2.534 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.656 13.589 -1.744 1.00 0.36 O1- ATOM 0 H ASP A 50 5.264 9.123 -3.099 1.00 0.11 H new ATOM 0 HA ASP A 50 5.037 10.777 -0.763 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.024 11.418 -2.990 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.412 11.361 -3.676 1.00 0.19 H new ATOM 758 N LYS A 51 2.417 9.634 -2.266 1.00 0.11 N ATOM 759 CA LYS A 51 0.982 9.486 -2.264 1.00 0.11 C ATOM 760 C LYS A 51 0.578 8.438 -1.259 1.00 0.10 C ATOM 761 O LYS A 51 -0.545 7.985 -1.271 1.00 0.11 O ATOM 762 CB LYS A 51 0.507 9.072 -3.643 1.00 0.13 C ATOM 763 CG LYS A 51 1.530 9.329 -4.711 1.00 0.14 C ATOM 764 CD LYS A 51 0.930 9.294 -6.077 1.00 0.49 C ATOM 765 CE LYS A 51 1.849 9.933 -7.093 1.00 0.45 C ATOM 766 NZ LYS A 51 2.046 11.384 -6.841 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.895 8.985 -2.891 1.00 0.11 H new ATOM 0 HA LYS A 51 0.527 10.439 -1.995 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.257 8.011 -3.633 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.408 9.613 -3.885 1.00 0.13 H new ATOM 0 HG2 LYS A 51 1.994 10.301 -4.543 1.00 0.14 H new ATOM 0 HG3 LYS A 51 2.321 8.582 -4.643 1.00 0.14 H new ATOM 0 HD2 LYS A 51 0.729 8.261 -6.363 1.00 0.49 H new ATOM 0 HD3 LYS A 51 -0.027 9.815 -6.070 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.815 9.429 -7.074 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.436 9.793 -8.092 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 2.334 11.854 -7.723 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 1.156 11.801 -6.502 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 2.786 11.514 -6.122 1.00 1.47 H new ATOM 780 N LEU A 52 1.514 7.991 -0.435 1.00 0.09 N ATOM 781 CA LEU A 52 1.184 7.035 0.600 1.00 0.08 C ATOM 782 C LEU A 52 0.292 7.684 1.645 1.00 0.09 C ATOM 783 O LEU A 52 -0.652 7.070 2.136 1.00 0.09 O ATOM 784 CB LEU A 52 2.442 6.487 1.248 1.00 0.08 C ATOM 785 CG LEU A 52 2.321 5.098 1.837 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.480 5.172 3.327 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.007 4.428 1.454 1.00 0.08 C ATOM 0 H LEU A 52 2.494 8.273 -0.465 1.00 0.09 H new ATOM 0 HA LEU A 52 0.647 6.204 0.143 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.239 6.479 0.504 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.750 7.172 2.038 1.00 0.08 H new ATOM 0 HG LEU A 52 3.116 4.478 1.422 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.393 4.172 3.752 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.459 5.585 3.568 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.703 5.813 3.744 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.963 3.434 1.898 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.173 5.027 1.820 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.944 4.344 0.369 1.00 0.08 H new ATOM 799 N SER A 53 0.581 8.933 1.969 1.00 0.10 N ATOM 800 CA SER A 53 -0.290 9.700 2.839 1.00 0.11 C ATOM 801 C SER A 53 -1.598 9.977 2.103 1.00 0.11 C ATOM 802 O SER A 53 -2.637 10.231 2.709 1.00 0.13 O ATOM 803 CB SER A 53 0.393 11.004 3.256 1.00 0.14 C ATOM 804 OG SER A 53 -0.299 11.636 4.322 1.00 1.25 O ATOM 0 H SER A 53 1.408 9.434 1.644 1.00 0.10 H new ATOM 0 HA SER A 53 -0.503 9.134 3.746 1.00 0.11 H new ATOM 0 HB2 SER A 53 1.419 10.798 3.559 1.00 0.14 H new ATOM 0 HB3 SER A 53 0.442 11.679 2.402 1.00 0.14 H new ATOM 0 HG SER A 53 0.163 12.465 4.566 1.00 1.25 H new ATOM 810 N GLN A 54 -1.530 9.897 0.781 1.00 0.10 N ATOM 811 CA GLN A 54 -2.688 10.029 -0.066 1.00 0.11 C ATOM 812 C GLN A 54 -3.458 8.712 -0.115 1.00 0.09 C ATOM 813 O GLN A 54 -4.672 8.695 -0.142 1.00 0.10 O ATOM 814 CB GLN A 54 -2.251 10.434 -1.452 1.00 0.12 C ATOM 815 CG GLN A 54 -3.393 10.579 -2.425 1.00 0.17 C ATOM 816 CD GLN A 54 -3.372 11.877 -3.192 1.00 0.69 C ATOM 817 OE1 GLN A 54 -3.908 12.890 -2.748 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.787 11.837 -4.368 1.00 0.70 N ATOM 0 H GLN A 54 -0.661 9.738 0.272 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.347 10.797 0.340 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.713 11.380 -1.393 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.550 9.692 -1.835 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.365 9.749 -3.131 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.335 10.503 -1.881 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.355 10.972 -4.694 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.765 12.671 -4.955 1.00 0.70 H new ATOM 827 N LEU A 55 -2.723 7.615 -0.121 1.00 0.08 N ATOM 828 CA LEU A 55 -3.277 6.282 -0.055 1.00 0.07 C ATOM 829 C LEU A 55 -3.917 6.105 1.298 1.00 0.07 C ATOM 830 O LEU A 55 -4.876 5.358 1.470 1.00 0.08 O ATOM 831 CB LEU A 55 -2.142 5.285 -0.262 1.00 0.06 C ATOM 832 CG LEU A 55 -2.449 4.088 -1.149 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.041 2.953 -0.337 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.384 4.488 -2.277 1.00 0.10 C ATOM 0 H LEU A 55 -1.704 7.630 -0.173 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.032 6.120 -0.824 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.292 5.818 -0.689 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.829 4.916 0.715 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.514 3.737 -1.586 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.252 2.108 -0.993 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.332 2.647 0.432 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.965 3.286 0.134 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.593 3.620 -2.902 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.317 4.867 -1.859 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -2.914 5.265 -2.881 1.00 0.10 H new ATOM 846 N LYS A 56 -3.382 6.847 2.248 1.00 0.07 N ATOM 847 CA LYS A 56 -3.943 6.906 3.573 1.00 0.08 C ATOM 848 C LYS A 56 -5.173 7.775 3.532 1.00 0.09 C ATOM 849 O LYS A 56 -6.133 7.538 4.231 1.00 0.12 O ATOM 850 CB LYS A 56 -2.927 7.480 4.554 1.00 0.10 C ATOM 851 CG LYS A 56 -3.323 7.336 6.013 1.00 0.11 C ATOM 852 CD LYS A 56 -4.352 6.238 6.212 1.00 0.11 C ATOM 853 CE LYS A 56 -4.620 5.989 7.681 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.232 7.177 8.335 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.549 7.422 2.119 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.207 5.903 3.907 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -1.968 6.985 4.398 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.780 8.537 4.331 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.438 7.117 6.610 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.726 8.282 6.375 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.281 6.514 5.713 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.000 5.319 5.744 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.283 5.131 7.790 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.687 5.736 8.184 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.587 6.911 9.276 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.517 7.926 8.434 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -6.020 7.526 7.753 1.00 0.82 H new ATOM 868 N THR A 57 -5.116 8.762 2.676 1.00 0.09 N ATOM 869 CA THR A 57 -6.202 9.675 2.451 1.00 0.10 C ATOM 870 C THR A 57 -7.351 8.961 1.760 1.00 0.09 C ATOM 871 O THR A 57 -8.515 9.228 2.023 1.00 0.11 O ATOM 872 CB THR A 57 -5.702 10.850 1.599 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.626 12.054 2.371 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.546 11.054 0.363 1.00 0.12 C ATOM 0 H THR A 57 -4.294 8.956 2.104 1.00 0.09 H new ATOM 0 HA THR A 57 -6.566 10.055 3.405 1.00 0.10 H new ATOM 0 HB THR A 57 -4.696 10.596 1.265 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.303 12.786 1.805 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.156 11.895 -0.209 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.517 10.153 -0.250 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.576 11.261 0.655 1.00 0.12 H new ATOM 882 N LEU A 58 -6.996 8.063 0.866 1.00 0.09 N ATOM 883 CA LEU A 58 -7.944 7.261 0.153 1.00 0.09 C ATOM 884 C LEU A 58 -8.515 6.188 1.042 1.00 0.09 C ATOM 885 O LEU A 58 -9.700 5.922 1.014 1.00 0.12 O ATOM 886 CB LEU A 58 -7.227 6.697 -1.038 1.00 0.11 C ATOM 887 CG LEU A 58 -6.774 7.778 -1.990 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.554 7.323 -2.761 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.920 8.173 -2.904 1.00 0.16 C ATOM 0 H LEU A 58 -6.025 7.873 0.617 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.797 7.854 -0.177 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.363 6.124 -0.703 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -7.885 6.004 -1.563 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.483 8.664 -1.426 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.239 8.113 -3.443 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.745 7.101 -2.065 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.797 6.427 -3.331 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.587 8.953 -3.589 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.246 7.304 -3.475 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.751 8.546 -2.305 1.00 0.16 H new ATOM 901 N LEU A 59 -7.668 5.591 1.841 1.00 0.07 N ATOM 902 CA LEU A 59 -8.122 4.718 2.907 1.00 0.07 C ATOM 903 C LEU A 59 -8.957 5.531 3.889 1.00 0.09 C ATOM 904 O LEU A 59 -9.934 5.058 4.437 1.00 0.11 O ATOM 905 CB LEU A 59 -6.912 4.118 3.607 1.00 0.07 C ATOM 906 CG LEU A 59 -7.155 2.807 4.340 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.188 3.036 5.814 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.451 2.178 3.919 1.00 0.08 C ATOM 0 H LEU A 59 -6.655 5.691 1.778 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.733 3.910 2.504 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.129 3.959 2.866 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.531 4.847 4.322 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.336 2.134 4.085 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.363 2.089 6.325 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.235 3.454 6.139 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.991 3.733 6.056 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.595 1.243 4.461 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.274 2.857 4.142 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.427 1.976 2.848 1.00 0.08 H new ATOM 920 N ASP A 60 -8.550 6.762 4.089 1.00 0.09 N ATOM 921 CA ASP A 60 -9.310 7.748 4.842 1.00 0.11 C ATOM 922 C ASP A 60 -10.628 8.016 4.161 1.00 0.12 C ATOM 923 O ASP A 60 -11.572 8.516 4.761 1.00 0.16 O ATOM 924 CB ASP A 60 -8.516 9.048 4.918 1.00 0.17 C ATOM 925 CG ASP A 60 -7.726 9.214 6.206 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.360 8.188 6.823 1.00 0.66 O ATOM 927 OD2 ASP A 60 -7.465 10.367 6.620 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.665 7.119 3.729 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.494 7.363 5.845 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.828 9.092 4.073 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.203 9.888 4.814 1.00 0.17 H new ATOM 932 N LYS A 61 -10.674 7.715 2.887 1.00 0.12 N ATOM 933 CA LYS A 61 -11.898 7.805 2.152 1.00 0.14 C ATOM 934 C LYS A 61 -12.732 6.574 2.403 1.00 0.12 C ATOM 935 O LYS A 61 -13.956 6.595 2.354 1.00 0.17 O ATOM 936 CB LYS A 61 -11.618 7.980 0.672 1.00 0.19 C ATOM 937 CG LYS A 61 -10.886 9.253 0.393 1.00 0.25 C ATOM 938 CD LYS A 61 -10.978 9.659 -1.069 1.00 0.39 C ATOM 939 CE LYS A 61 -12.407 9.987 -1.484 1.00 1.20 C ATOM 940 NZ LYS A 61 -12.986 11.103 -0.689 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.870 7.405 2.341 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.455 8.679 2.490 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.030 7.136 0.311 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.558 7.973 0.121 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.294 10.049 1.016 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.838 9.136 0.671 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.342 10.526 -1.245 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -10.596 8.852 -1.694 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -12.424 10.251 -2.541 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -13.029 9.100 -1.367 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -13.870 11.424 -1.134 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -13.184 10.774 0.278 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -12.309 11.892 -0.654 1.00 1.92 H new ATOM 954 N LEU A 62 -12.035 5.524 2.756 1.00 0.10 N ATOM 955 CA LEU A 62 -12.661 4.244 3.034 1.00 0.11 C ATOM 956 C LEU A 62 -13.135 4.272 4.449 1.00 0.12 C ATOM 957 O LEU A 62 -13.985 3.490 4.861 1.00 0.14 O ATOM 958 CB LEU A 62 -11.696 3.069 2.850 1.00 0.11 C ATOM 959 CG LEU A 62 -11.492 2.589 1.418 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.688 2.945 0.600 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.251 3.162 0.792 1.00 0.11 C ATOM 0 H LEU A 62 -11.020 5.526 2.860 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.482 4.097 2.332 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.726 3.354 3.258 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.058 2.231 3.445 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.365 1.507 1.447 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.543 2.602 -0.425 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.572 2.467 1.021 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.823 4.027 0.605 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.152 2.789 -0.227 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.321 4.250 0.775 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.379 2.864 1.374 1.00 0.11 H new ATOM 973 N GLU A 63 -12.506 5.153 5.191 1.00 0.11 N ATOM 974 CA GLU A 63 -12.864 5.432 6.556 1.00 0.14 C ATOM 975 C GLU A 63 -14.367 5.544 6.731 1.00 0.16 C ATOM 976 O GLU A 63 -15.044 6.218 5.957 1.00 0.20 O ATOM 977 CB GLU A 63 -12.207 6.718 6.999 1.00 0.16 C ATOM 978 CG GLU A 63 -10.898 6.526 7.727 1.00 0.17 C ATOM 979 CD GLU A 63 -10.426 7.792 8.415 1.00 0.85 C ATOM 980 OE1 GLU A 63 -9.894 7.697 9.542 1.00 1.29 O ATOM 981 OE2 GLU A 63 -10.602 8.887 7.847 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.717 5.704 4.854 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.516 4.601 7.170 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -12.035 7.345 6.124 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.895 7.259 7.648 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -11.010 5.734 8.467 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.137 6.195 7.020 1.00 0.17 H new ATOM 988 N GLY A 64 -14.883 4.870 7.741 1.00 0.18 N ATOM 989 CA GLY A 64 -16.304 4.880 7.974 1.00 0.20 C ATOM 990 C GLY A 64 -17.026 3.849 7.136 1.00 0.20 C ATOM 991 O GLY A 64 -18.225 3.643 7.296 1.00 0.26 O ATOM 0 H GLY A 64 -14.341 4.316 8.404 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.499 4.690 9.029 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.700 5.870 7.750 1.00 0.20 H new ATOM 995 N SER A 65 -16.307 3.219 6.216 1.00 0.16 N ATOM 996 CA SER A 65 -16.881 2.163 5.399 1.00 0.16 C ATOM 997 C SER A 65 -16.255 0.825 5.779 1.00 0.18 C ATOM 998 O SER A 65 -15.267 0.791 6.516 1.00 0.25 O ATOM 999 CB SER A 65 -16.649 2.482 3.925 1.00 0.19 C ATOM 1000 OG SER A 65 -16.893 3.854 3.660 1.00 0.27 O ATOM 0 H SER A 65 -15.327 3.422 6.019 1.00 0.16 H new ATOM 0 HA SER A 65 -17.955 2.097 5.573 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.624 2.231 3.651 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.303 1.866 3.308 1.00 0.19 H new ATOM 0 HG SER A 65 -16.257 4.175 2.987 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.811 -0.271 5.284 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.262 -1.591 5.571 1.00 0.22 C ATOM 1008 C ARG A 66 -14.988 -1.822 4.775 1.00 0.21 C ATOM 1009 O ARG A 66 -14.071 -2.514 5.219 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.266 -2.678 5.228 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.446 -2.821 3.740 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.115 -4.111 3.347 1.00 0.47 C ATOM 1013 NE ARG A 66 -18.038 -4.327 1.902 1.00 1.46 N ATOM 1014 CZ ARG A 66 -18.272 -5.496 1.312 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -18.649 -6.543 2.032 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -18.136 -5.614 -0.002 1.00 3.05 N ATOM 0 H ARG A 66 -17.637 -0.275 4.685 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.038 -1.633 6.637 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.932 -3.627 5.647 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.226 -2.446 5.690 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.038 -1.984 3.370 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.472 -2.761 3.255 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -17.641 -4.943 3.868 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -19.159 -4.092 3.660 1.00 0.47 H new ATOM 0 HE ARG A 66 -17.790 -3.533 1.311 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -18.761 -6.454 3.042 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -18.828 -7.438 1.576 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -17.852 -4.809 -0.560 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -18.315 -6.510 -0.455 1.00 3.05 H new ATOM 1030 N GLU A 67 -14.946 -1.217 3.596 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.827 -1.325 2.692 1.00 0.18 C ATOM 1032 C GLU A 67 -12.572 -0.899 3.370 1.00 0.15 C ATOM 1033 O GLU A 67 -11.519 -1.467 3.167 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.095 -0.446 1.506 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.722 -1.179 0.370 1.00 0.33 C ATOM 1036 CD GLU A 67 -16.152 -1.588 0.648 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -16.653 -2.518 -0.016 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -16.782 -0.979 1.534 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.702 -0.631 3.243 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.705 -2.360 2.373 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -14.748 0.373 1.808 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.158 -0.000 1.171 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -14.696 -0.550 -0.520 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.132 -2.068 0.149 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.738 0.106 4.182 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.686 0.634 5.028 1.00 0.13 C ATOM 1047 C HIS A 68 -10.850 -0.438 5.643 1.00 0.14 C ATOM 1048 O HIS A 68 -9.666 -0.328 5.677 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.274 1.411 6.164 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.242 2.198 6.866 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.570 3.250 6.424 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.746 1.921 8.116 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.684 3.613 7.380 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.800 2.797 8.390 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.626 0.598 4.282 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.070 1.256 4.379 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.050 2.078 5.788 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.753 0.728 6.865 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.698 3.707 5.521 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.075 1.122 8.764 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.995 4.442 7.317 1.00 0.17 H new ATOM 1063 N THR A 69 -11.494 -1.431 6.166 1.00 0.15 N ATOM 1064 CA THR A 69 -10.817 -2.532 6.820 1.00 0.16 C ATOM 1065 C THR A 69 -9.851 -3.204 5.881 1.00 0.15 C ATOM 1066 O THR A 69 -8.658 -3.349 6.136 1.00 0.15 O ATOM 1067 CB THR A 69 -11.841 -3.571 7.190 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.765 -3.065 8.164 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.166 -4.832 7.669 1.00 0.21 C ATOM 0 H THR A 69 -12.511 -1.513 6.158 1.00 0.15 H new ATOM 0 HA THR A 69 -10.288 -2.138 7.688 1.00 0.16 H new ATOM 0 HB THR A 69 -12.416 -3.817 6.298 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.420 -3.759 8.385 1.00 0.22 H new ATOM 0 HG21 THR A 69 -11.922 -5.572 7.932 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.531 -5.228 6.877 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.557 -4.608 8.545 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.429 -3.563 4.780 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.816 -4.326 3.747 1.00 0.16 C ATOM 1079 C LEU A 70 -8.737 -3.500 3.163 1.00 0.13 C ATOM 1080 O LEU A 70 -7.614 -3.931 2.966 1.00 0.12 O ATOM 1081 CB LEU A 70 -10.935 -4.660 2.746 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.555 -5.015 1.313 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.438 -3.764 0.463 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.283 -5.843 1.282 1.00 0.21 C ATOM 0 H LEU A 70 -11.396 -3.316 4.568 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.361 -5.257 4.086 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.504 -5.496 3.153 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.609 -3.804 2.707 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.349 -5.626 0.884 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.166 -4.040 -0.556 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.394 -3.240 0.454 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.670 -3.112 0.879 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.031 -6.085 0.249 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.468 -5.275 1.731 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.435 -6.765 1.843 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.098 -2.286 2.992 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.298 -1.340 2.323 1.00 0.09 C ATOM 1098 C ALA A 71 -7.302 -0.712 3.265 1.00 0.07 C ATOM 1099 O ALA A 71 -6.340 -0.128 2.836 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.210 -0.330 1.707 1.00 0.10 C ATOM 0 H ALA A 71 -9.987 -1.913 3.325 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.709 -1.819 1.541 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.620 0.419 1.180 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.880 -0.825 1.004 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.797 0.154 2.487 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.545 -0.827 4.550 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.583 -0.475 5.542 1.00 0.09 C ATOM 1108 C LYS A 72 -5.596 -1.571 5.558 1.00 0.10 C ATOM 1109 O LYS A 72 -4.414 -1.379 5.758 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.231 -0.382 6.891 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.279 0.075 7.949 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.975 0.980 8.926 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.316 0.958 10.296 1.00 0.22 C ATOM 1114 NZ LYS A 72 -4.910 1.443 10.258 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.427 -1.172 4.929 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.128 0.490 5.319 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.073 0.309 6.840 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.635 -1.357 7.165 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.867 -0.787 8.473 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.441 0.600 7.491 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.973 1.999 8.540 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.018 0.677 9.021 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.892 1.577 10.983 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.336 -0.058 10.689 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -4.500 1.393 11.212 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -4.355 0.848 9.610 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -4.891 2.428 9.925 1.00 1.35 H new ATOM 1128 N SER A 73 -6.120 -2.743 5.321 1.00 0.10 N ATOM 1129 CA SER A 73 -5.286 -3.898 5.247 1.00 0.12 C ATOM 1130 C SER A 73 -4.534 -3.904 3.914 1.00 0.11 C ATOM 1131 O SER A 73 -3.540 -4.601 3.757 1.00 0.13 O ATOM 1132 CB SER A 73 -6.101 -5.183 5.441 1.00 0.16 C ATOM 1133 OG SER A 73 -5.260 -6.306 5.655 1.00 1.18 O ATOM 0 H SER A 73 -7.115 -2.917 5.177 1.00 0.10 H new ATOM 0 HA SER A 73 -4.556 -3.861 6.056 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.773 -5.064 6.291 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.724 -5.356 4.563 1.00 0.16 H new ATOM 0 HG SER A 73 -5.810 -7.108 5.776 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.029 -3.125 2.954 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.326 -2.869 1.722 1.00 0.08 C ATOM 1141 C LYS A 74 -3.352 -1.761 1.920 1.00 0.06 C ATOM 1142 O LYS A 74 -2.162 -1.889 1.675 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.313 -2.466 0.675 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.324 -3.534 0.475 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.370 -3.114 -0.479 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.125 -3.853 -1.727 1.00 0.22 C ATOM 1147 NZ LYS A 74 -8.117 -3.581 -2.793 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.933 -2.657 3.020 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.795 -3.769 1.413 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.807 -1.540 0.970 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.796 -2.267 -0.263 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.835 -4.436 0.107 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.782 -3.787 1.431 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.363 -3.335 -0.087 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.327 -2.039 -0.651 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -6.131 -3.601 -2.097 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -7.123 -4.921 -1.510 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -8.346 -4.466 -3.289 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -8.982 -3.188 -2.370 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -7.721 -2.898 -3.470 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.906 -0.675 2.380 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.179 0.520 2.653 1.00 0.04 C ATOM 1163 C TYR A 75 -1.996 0.239 3.542 1.00 0.05 C ATOM 1164 O TYR A 75 -0.873 0.516 3.177 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.074 1.522 3.360 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.248 2.539 4.106 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.053 2.431 5.472 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.597 3.559 3.424 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.233 3.317 6.141 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.786 4.455 4.080 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.602 4.331 5.443 1.00 0.08 C ATOM 1172 OH TYR A 75 -0.773 5.207 6.111 1.00 0.25 O ATOM 0 H TYR A 75 -4.904 -0.600 2.579 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.833 0.922 1.701 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.710 2.026 2.632 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.734 1.002 4.054 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.548 1.644 6.021 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.731 3.650 2.356 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.084 3.219 7.206 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.297 5.249 3.534 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.407 5.859 5.477 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.270 -0.336 4.704 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.283 -0.457 5.751 1.00 0.08 C ATOM 1184 C ASP A 76 -0.211 -1.394 5.275 1.00 0.09 C ATOM 1185 O ASP A 76 0.957 -1.289 5.620 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.902 -1.010 7.033 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.757 -0.070 8.214 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.786 0.435 8.707 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.609 0.188 8.643 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.181 -0.728 4.941 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.874 0.529 5.972 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.960 -1.210 6.862 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.432 -1.964 7.275 1.00 0.13 H new ATOM 1194 N SER A 77 -0.665 -2.292 4.433 1.00 0.07 N ATOM 1195 CA SER A 77 0.146 -3.293 3.809 1.00 0.07 C ATOM 1196 C SER A 77 1.102 -2.610 2.864 1.00 0.06 C ATOM 1197 O SER A 77 2.322 -2.695 2.992 1.00 0.06 O ATOM 1198 CB SER A 77 -0.807 -4.209 3.043 1.00 0.08 C ATOM 1199 OG SER A 77 -0.147 -5.207 2.301 1.00 0.10 O ATOM 0 H SER A 77 -1.646 -2.342 4.158 1.00 0.07 H new ATOM 0 HA SER A 77 0.726 -3.869 4.530 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.490 -4.683 3.749 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.414 -3.606 2.368 1.00 0.08 H new ATOM 0 HG SER A 77 0.535 -4.794 1.731 1.00 0.10 H new ATOM 1205 N LEU A 78 0.499 -1.858 1.974 1.00 0.04 N ATOM 1206 CA LEU A 78 1.166 -1.173 0.912 1.00 0.04 C ATOM 1207 C LEU A 78 2.088 -0.118 1.500 1.00 0.04 C ATOM 1208 O LEU A 78 3.212 0.100 1.052 1.00 0.04 O ATOM 1209 CB LEU A 78 0.050 -0.565 0.078 1.00 0.03 C ATOM 1210 CG LEU A 78 0.447 0.120 -1.207 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.504 1.595 -0.947 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.781 -0.394 -1.702 1.00 0.04 C ATOM 0 H LEU A 78 -0.510 -1.706 1.977 1.00 0.04 H new ATOM 0 HA LEU A 78 1.792 -1.821 0.299 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.660 -1.356 -0.165 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.479 0.159 0.698 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.286 -0.093 -1.985 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.789 2.115 -1.862 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.475 1.945 -0.621 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.240 1.799 -0.169 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.046 0.115 -2.629 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.547 -0.201 -0.951 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.713 -1.467 -1.883 1.00 0.04 H new ATOM 1224 N ALA A 79 1.591 0.476 2.556 1.00 0.04 N ATOM 1225 CA ALA A 79 2.275 1.503 3.298 1.00 0.04 C ATOM 1226 C ALA A 79 3.485 0.939 3.963 1.00 0.05 C ATOM 1227 O ALA A 79 4.498 1.597 4.067 1.00 0.07 O ATOM 1228 CB ALA A 79 1.318 2.099 4.321 1.00 0.05 C ATOM 0 H ALA A 79 0.671 0.250 2.934 1.00 0.04 H new ATOM 0 HA ALA A 79 2.604 2.291 2.620 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.829 2.878 4.887 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.458 2.529 3.807 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.981 1.318 5.002 1.00 0.05 H new ATOM 1234 N THR A 80 3.382 -0.291 4.363 1.00 0.05 N ATOM 1235 CA THR A 80 4.479 -0.968 4.988 1.00 0.05 C ATOM 1236 C THR A 80 5.507 -1.377 3.956 1.00 0.05 C ATOM 1237 O THR A 80 6.693 -1.315 4.208 1.00 0.05 O ATOM 1238 CB THR A 80 3.979 -2.203 5.695 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.137 -1.834 6.795 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.139 -3.042 6.195 1.00 0.07 C ATOM 0 H THR A 80 2.537 -0.854 4.266 1.00 0.05 H new ATOM 0 HA THR A 80 4.940 -0.288 5.705 1.00 0.05 H new ATOM 0 HB THR A 80 3.403 -2.795 4.984 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.199 -1.981 6.553 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.756 -3.928 6.702 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.758 -3.346 5.351 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.738 -2.456 6.892 1.00 0.07 H new ATOM 1248 N GLN A 81 5.040 -1.778 2.788 1.00 0.05 N ATOM 1249 CA GLN A 81 5.873 -2.236 1.748 1.00 0.05 C ATOM 1250 C GLN A 81 6.692 -1.115 1.254 1.00 0.05 C ATOM 1251 O GLN A 81 7.878 -1.264 0.993 1.00 0.05 O ATOM 1252 CB GLN A 81 4.984 -2.804 0.673 1.00 0.05 C ATOM 1253 CG GLN A 81 4.345 -4.048 1.198 1.00 0.05 C ATOM 1254 CD GLN A 81 3.073 -4.441 0.546 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.226 -4.982 1.374 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.851 -4.245 -0.642 1.00 0.07 N flip ATOM 0 H GLN A 81 4.047 -1.786 2.554 1.00 0.05 H new ATOM 0 HA GLN A 81 6.558 -3.012 2.088 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.223 -2.078 0.388 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.565 -3.025 -0.222 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.054 -4.870 1.095 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.160 -3.918 2.264 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.565 -3.815 -1.230 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.952 -4.511 -1.044 1.00 0.07 H new ATOM 1265 N ILE A 82 6.071 0.031 1.161 1.00 0.04 N ATOM 1266 CA ILE A 82 6.826 1.169 0.800 1.00 0.04 C ATOM 1267 C ILE A 82 7.645 1.635 1.997 1.00 0.05 C ATOM 1268 O ILE A 82 8.818 1.880 1.848 1.00 0.05 O ATOM 1269 CB ILE A 82 6.001 2.351 0.227 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.259 3.112 1.287 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.014 1.928 -0.828 1.00 0.05 C ATOM 1272 CD1 ILE A 82 6.007 4.333 1.728 1.00 0.06 C ATOM 0 H ILE A 82 5.077 0.186 1.327 1.00 0.04 H new ATOM 0 HA ILE A 82 7.470 0.849 -0.019 1.00 0.04 H new ATOM 0 HB ILE A 82 6.750 3.000 -0.227 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.280 3.404 0.906 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.086 2.463 2.145 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.469 2.801 -1.188 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.546 1.464 -1.659 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.311 1.212 -0.402 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.434 4.853 2.495 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.975 4.040 2.134 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.157 4.995 0.876 1.00 0.06 H new ATOM 1284 N LYS A 83 7.024 1.748 3.184 1.00 0.05 N ATOM 1285 CA LYS A 83 7.727 2.177 4.401 1.00 0.05 C ATOM 1286 C LYS A 83 8.941 1.330 4.682 1.00 0.05 C ATOM 1287 O LYS A 83 9.911 1.792 5.262 1.00 0.06 O ATOM 1288 CB LYS A 83 6.795 2.113 5.599 1.00 0.06 C ATOM 1289 CG LYS A 83 6.444 3.478 6.129 1.00 0.10 C ATOM 1290 CD LYS A 83 5.681 4.251 5.088 1.00 0.12 C ATOM 1291 CE LYS A 83 5.716 5.730 5.357 1.00 0.20 C ATOM 1292 NZ LYS A 83 5.096 6.089 6.661 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.034 1.547 3.324 1.00 0.05 H new ATOM 0 HA LYS A 83 8.055 3.203 4.233 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.881 1.590 5.317 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.265 1.529 6.390 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.846 3.383 7.035 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.352 4.016 6.401 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.103 4.050 4.103 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.646 3.909 5.067 1.00 0.12 H new ATOM 0 HE2 LYS A 83 6.750 6.074 5.344 1.00 0.20 H new ATOM 0 HE3 LYS A 83 5.196 6.254 4.555 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.100 7.123 6.775 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 4.116 5.742 6.687 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 5.638 5.654 7.435 1.00 0.95 H new ATOM 1306 N ALA A 84 8.850 0.090 4.296 1.00 0.05 N ATOM 1307 CA ALA A 84 9.942 -0.828 4.353 1.00 0.05 C ATOM 1308 C ALA A 84 11.006 -0.408 3.417 1.00 0.04 C ATOM 1309 O ALA A 84 12.184 -0.346 3.758 1.00 0.05 O ATOM 1310 CB ALA A 84 9.438 -2.141 3.901 1.00 0.05 C ATOM 0 H ALA A 84 7.992 -0.317 3.924 1.00 0.05 H new ATOM 0 HA ALA A 84 10.342 -0.868 5.366 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.247 -2.871 3.931 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.631 -2.466 4.557 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.064 -2.056 2.881 1.00 0.05 H new ATOM 1316 N ILE A 85 10.567 -0.129 2.219 1.00 0.04 N ATOM 1317 CA ILE A 85 11.442 0.305 1.207 1.00 0.04 C ATOM 1318 C ILE A 85 12.095 1.562 1.667 1.00 0.04 C ATOM 1319 O ILE A 85 13.293 1.713 1.586 1.00 0.05 O ATOM 1320 CB ILE A 85 10.686 0.543 -0.099 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.279 -0.795 -0.671 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.520 1.364 -1.058 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.313 -0.706 -1.818 1.00 0.04 C ATOM 0 H ILE A 85 9.590 -0.202 1.935 1.00 0.04 H new ATOM 0 HA ILE A 85 12.194 -0.461 1.015 1.00 0.04 H new ATOM 0 HB ILE A 85 9.782 1.124 0.084 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.173 -1.322 -1.004 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.831 -1.395 0.121 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.963 1.522 -1.981 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.752 2.328 -0.605 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.447 0.835 -1.279 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.072 -1.709 -2.170 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.401 -0.209 -1.488 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.764 -0.135 -2.630 1.00 0.04 H new ATOM 1335 N GLN A 86 11.277 2.413 2.236 1.00 0.04 N ATOM 1336 CA GLN A 86 11.708 3.651 2.749 1.00 0.05 C ATOM 1337 C GLN A 86 12.703 3.395 3.812 1.00 0.05 C ATOM 1338 O GLN A 86 13.757 3.944 3.784 1.00 0.07 O ATOM 1339 CB GLN A 86 10.547 4.399 3.346 1.00 0.06 C ATOM 1340 CG GLN A 86 9.420 4.550 2.376 1.00 0.06 C ATOM 1341 CD GLN A 86 8.981 5.970 2.191 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.595 6.620 1.240 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.106 6.477 2.894 1.00 0.08 N flip ATOM 0 H GLN A 86 10.278 2.243 2.348 1.00 0.04 H new ATOM 0 HA GLN A 86 12.141 4.246 1.945 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.194 3.873 4.233 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.880 5.385 3.672 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.723 4.143 1.412 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.572 3.957 2.720 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.656 5.926 3.625 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.831 7.448 2.745 1.00 0.08 H new ATOM 1352 N ASP A 87 12.335 2.510 4.719 1.00 0.05 N ATOM 1353 CA ASP A 87 13.174 2.155 5.856 1.00 0.06 C ATOM 1354 C ASP A 87 14.556 1.849 5.396 1.00 0.06 C ATOM 1355 O ASP A 87 15.520 2.450 5.824 1.00 0.08 O ATOM 1356 CB ASP A 87 12.677 0.902 6.570 1.00 0.08 C ATOM 1357 CG ASP A 87 12.802 1.011 8.078 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.778 1.256 8.753 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.927 0.865 8.600 1.00 0.39 O1- ATOM 0 H ASP A 87 11.444 2.014 4.691 1.00 0.05 H new ATOM 0 HA ASP A 87 13.145 3.009 6.533 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.634 0.725 6.306 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.245 0.039 6.222 1.00 0.08 H new ATOM 1364 N VAL A 88 14.642 0.909 4.506 1.00 0.04 N ATOM 1365 CA VAL A 88 15.920 0.422 4.098 1.00 0.04 C ATOM 1366 C VAL A 88 16.583 1.407 3.123 1.00 0.04 C ATOM 1367 O VAL A 88 17.767 1.664 3.238 1.00 0.05 O ATOM 1368 CB VAL A 88 15.815 -0.998 3.532 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.776 -1.798 4.299 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.486 -0.967 2.076 1.00 0.04 C ATOM 0 H VAL A 88 13.844 0.466 4.050 1.00 0.04 H new ATOM 0 HA VAL A 88 16.568 0.354 4.972 1.00 0.04 H new ATOM 0 HB VAL A 88 16.783 -1.485 3.649 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.713 -2.804 3.885 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.063 -1.855 5.349 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.805 -1.310 4.214 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.417 -1.987 1.697 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.532 -0.460 1.929 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.268 -0.432 1.538 1.00 0.04 H new ATOM 1380 N ASN A 89 15.800 2.011 2.214 1.00 0.05 N ATOM 1381 CA ASN A 89 16.271 3.092 1.350 1.00 0.06 C ATOM 1382 C ASN A 89 16.751 4.246 2.192 1.00 0.07 C ATOM 1383 O ASN A 89 17.607 5.033 1.789 1.00 0.09 O ATOM 1384 CB ASN A 89 15.123 3.580 0.477 1.00 0.06 C ATOM 1385 CG ASN A 89 14.785 2.630 -0.642 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.254 1.503 -0.673 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.922 3.070 -1.538 1.00 0.08 N ATOM 0 H ASN A 89 14.823 1.759 2.062 1.00 0.05 H new ATOM 0 HA ASN A 89 17.086 2.719 0.730 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.240 3.729 1.098 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.383 4.551 0.055 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.620 2.460 -2.298 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.557 4.020 -1.471 1.00 0.08 H new ATOM 1394 N ALA A 90 16.183 4.313 3.378 1.00 0.07 N ATOM 1395 CA ALA A 90 16.452 5.369 4.327 1.00 0.08 C ATOM 1396 C ALA A 90 17.802 5.157 4.953 1.00 0.09 C ATOM 1397 O ALA A 90 18.334 6.011 5.662 1.00 0.12 O ATOM 1398 CB ALA A 90 15.377 5.376 5.388 1.00 0.09 C ATOM 0 H ALA A 90 15.511 3.623 3.714 1.00 0.07 H new ATOM 0 HA ALA A 90 16.452 6.331 3.814 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.578 6.172 6.105 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.406 5.545 4.921 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.369 4.416 5.904 1.00 0.09 H new ATOM 1404 N GLN A 91 18.336 3.987 4.687 1.00 0.07 N ATOM 1405 CA GLN A 91 19.617 3.597 5.190 1.00 0.08 C ATOM 1406 C GLN A 91 20.679 3.923 4.185 1.00 0.08 C ATOM 1407 O GLN A 91 21.835 3.987 4.512 1.00 0.10 O ATOM 1408 CB GLN A 91 19.602 2.112 5.530 1.00 0.07 C ATOM 1409 CG GLN A 91 18.472 1.756 6.454 1.00 0.08 C ATOM 1410 CD GLN A 91 18.274 2.802 7.521 1.00 0.11 C ATOM 1411 OE1 GLN A 91 19.212 3.339 8.097 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.047 3.156 7.709 1.00 0.14 N ATOM 0 H GLN A 91 17.883 3.279 4.110 1.00 0.07 H new ATOM 0 HA GLN A 91 19.841 4.150 6.102 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.516 1.531 4.612 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.549 1.837 5.994 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.553 1.644 5.879 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.674 0.793 6.922 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.297 2.681 7.208 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.828 3.911 8.359 1.00 0.14 H new ATOM 1421 N PHE A 92 20.270 4.146 2.963 1.00 0.08 N ATOM 1422 CA PHE A 92 21.198 4.553 1.918 1.00 0.09 C ATOM 1423 C PHE A 92 21.113 6.023 1.648 1.00 0.11 C ATOM 1424 O PHE A 92 20.110 6.679 1.923 1.00 0.12 O ATOM 1425 CB PHE A 92 20.947 3.803 0.614 1.00 0.09 C ATOM 1426 CG PHE A 92 20.855 2.343 0.789 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.935 1.529 0.557 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.682 1.792 1.222 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.839 0.183 0.760 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.576 0.453 1.421 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.656 -0.354 1.195 1.00 0.06 C ATOM 0 H PHE A 92 19.301 4.055 2.658 1.00 0.08 H new ATOM 0 HA PHE A 92 22.194 4.309 2.286 1.00 0.09 H new ATOM 0 HB2 PHE A 92 20.022 4.167 0.166 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.751 4.028 -0.087 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.865 1.956 0.212 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.830 2.429 1.408 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.691 -0.456 0.579 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.642 0.027 1.757 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.576 -1.418 1.360 1.00 0.06 H new ATOM 1441 N GLU A 93 22.203 6.516 1.103 1.00 0.12 N ATOM 1442 CA GLU A 93 22.316 7.884 0.700 1.00 0.14 C ATOM 1443 C GLU A 93 21.303 8.166 -0.403 1.00 0.14 C ATOM 1444 O GLU A 93 20.855 9.294 -0.597 1.00 0.16 O ATOM 1445 CB GLU A 93 23.729 8.160 0.213 1.00 0.16 C ATOM 1446 CG GLU A 93 24.811 7.788 1.224 1.00 0.17 C ATOM 1447 CD GLU A 93 26.091 8.573 1.011 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.258 9.638 1.644 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.947 8.122 0.223 1.00 0.37 O1- ATOM 0 H GLU A 93 23.042 5.963 0.929 1.00 0.12 H new ATOM 0 HA GLU A 93 22.109 8.539 1.547 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.900 7.606 -0.710 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.820 9.219 -0.030 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.440 7.969 2.233 1.00 0.17 H new ATOM 0 HG3 GLU A 93 25.024 6.722 1.149 1.00 0.17 H new ATOM 1456 N LYS A 94 20.959 7.102 -1.121 1.00 0.13 N ATOM 1457 CA LYS A 94 19.921 7.131 -2.135 1.00 0.14 C ATOM 1458 C LYS A 94 19.200 5.801 -2.086 1.00 0.12 C ATOM 1459 O LYS A 94 19.821 4.767 -1.864 1.00 0.12 O ATOM 1460 CB LYS A 94 20.475 7.363 -3.547 1.00 0.21 C ATOM 1461 CG LYS A 94 21.927 7.823 -3.596 1.00 0.75 C ATOM 1462 CD LYS A 94 22.450 7.922 -5.025 1.00 1.25 C ATOM 1463 CE LYS A 94 21.776 9.036 -5.810 1.00 2.08 C ATOM 1464 NZ LYS A 94 22.311 9.143 -7.196 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.399 6.189 -1.011 1.00 0.13 H new ATOM 0 HA LYS A 94 19.252 7.965 -1.924 1.00 0.14 H new ATOM 0 HB2 LYS A 94 20.382 6.437 -4.115 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.856 8.107 -4.047 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.015 8.795 -3.110 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.547 7.126 -3.031 1.00 0.75 H new ATOM 0 HD2 LYS A 94 23.526 8.095 -5.005 1.00 1.25 H new ATOM 0 HD3 LYS A 94 22.289 6.972 -5.535 1.00 1.25 H new ATOM 0 HE2 LYS A 94 20.702 8.854 -5.849 1.00 2.08 H new ATOM 0 HE3 LYS A 94 21.920 9.984 -5.291 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 21.825 9.914 -7.697 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 23.331 9.342 -7.160 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 22.151 8.248 -7.700 1.00 2.94 H new ATOM 1478 N PRO A 95 17.888 5.829 -2.292 1.00 0.11 N ATOM 1479 CA PRO A 95 17.009 4.669 -2.156 1.00 0.09 C ATOM 1480 C PRO A 95 17.520 3.465 -2.867 1.00 0.08 C ATOM 1481 O PRO A 95 17.992 3.565 -4.000 1.00 0.10 O ATOM 1482 CB PRO A 95 15.729 5.134 -2.828 1.00 0.11 C ATOM 1483 CG PRO A 95 15.717 6.587 -2.592 1.00 0.13 C ATOM 1484 CD PRO A 95 17.152 7.010 -2.734 1.00 0.14 C ATOM 0 HA PRO A 95 16.904 4.369 -1.113 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.729 4.902 -3.893 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.852 4.651 -2.396 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.080 7.100 -3.313 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.331 6.824 -1.601 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.395 7.275 -3.763 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.379 7.881 -2.119 1.00 0.14 H new ATOM 1492 N ALA A 96 17.413 2.311 -2.240 1.00 0.06 N ATOM 1493 CA ALA A 96 17.773 1.158 -2.966 1.00 0.06 C ATOM 1494 C ALA A 96 16.720 0.091 -2.860 1.00 0.05 C ATOM 1495 O ALA A 96 16.994 -1.056 -2.539 1.00 0.05 O ATOM 1496 CB ALA A 96 19.055 0.651 -2.370 1.00 0.05 C ATOM 0 H ALA A 96 17.095 2.169 -1.281 1.00 0.06 H new ATOM 0 HA ALA A 96 17.883 1.405 -4.022 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.374 -0.245 -2.902 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.825 1.418 -2.456 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.898 0.412 -1.318 1.00 0.05 H new ATOM 1502 N ILE A 97 15.528 0.496 -3.194 1.00 0.06 N ATOM 1503 CA ILE A 97 14.496 -0.300 -3.777 1.00 0.07 C ATOM 1504 C ILE A 97 13.741 0.630 -4.640 1.00 0.08 C ATOM 1505 O ILE A 97 12.949 1.398 -4.127 1.00 0.10 O ATOM 1506 CB ILE A 97 13.558 -0.914 -2.764 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.210 -2.101 -2.126 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.216 -1.280 -3.382 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.711 -1.789 -0.759 1.00 0.05 C ATOM 0 H ILE A 97 15.235 1.463 -3.054 1.00 0.06 H new ATOM 0 HA ILE A 97 14.937 -1.142 -4.310 1.00 0.07 H new ATOM 0 HB ILE A 97 13.351 -0.171 -1.994 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.496 -2.923 -2.073 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.039 -2.439 -2.748 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.572 -1.718 -2.620 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.744 -0.384 -3.784 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.370 -2.001 -4.185 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.177 -2.677 -0.331 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.445 -0.985 -0.815 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.878 -1.477 -0.129 1.00 0.05 H new ATOM 1521 N VAL A 98 13.990 0.638 -5.883 1.00 0.09 N ATOM 1522 CA VAL A 98 13.313 1.582 -6.717 1.00 0.10 C ATOM 1523 C VAL A 98 12.766 0.899 -7.935 1.00 0.10 C ATOM 1524 O VAL A 98 13.504 0.319 -8.730 1.00 0.14 O ATOM 1525 CB VAL A 98 14.201 2.779 -7.064 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.468 3.579 -5.787 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.493 2.325 -7.713 1.00 0.11 C ATOM 0 H VAL A 98 14.646 0.018 -6.358 1.00 0.09 H new ATOM 0 HA VAL A 98 12.470 1.990 -6.159 1.00 0.10 H new ATOM 0 HB VAL A 98 13.691 3.417 -7.786 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.100 4.436 -6.020 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.522 3.928 -5.372 1.00 0.10 H new ATOM 0 HG13 VAL A 98 14.972 2.944 -5.058 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.106 3.194 -7.950 1.00 0.11 H new ATOM 0 HG22 VAL A 98 16.036 1.674 -7.027 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.268 1.779 -8.629 1.00 0.11 H new ATOM 1537 N ASP A 99 11.448 0.936 -8.024 1.00 0.09 N ATOM 1538 CA ASP A 99 10.705 0.183 -9.033 1.00 0.11 C ATOM 1539 C ASP A 99 10.701 -1.296 -8.656 1.00 0.09 C ATOM 1540 O ASP A 99 10.803 -2.180 -9.503 1.00 0.11 O ATOM 1541 CB ASP A 99 11.304 0.380 -10.433 1.00 0.14 C ATOM 1542 CG ASP A 99 10.468 -0.210 -11.558 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.879 -1.237 -12.143 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.411 0.364 -11.884 1.00 0.52 O1- ATOM 0 H ASP A 99 10.858 1.487 -7.401 1.00 0.09 H new ATOM 0 HA ASP A 99 9.681 0.555 -9.062 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.434 1.447 -10.613 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.296 -0.071 -10.458 1.00 0.14 H new ATOM 1549 N GLY A 100 10.588 -1.560 -7.360 1.00 0.07 N ATOM 1550 CA GLY A 100 10.580 -2.924 -6.876 1.00 0.08 C ATOM 1551 C GLY A 100 11.918 -3.599 -6.999 1.00 0.08 C ATOM 1552 O GLY A 100 12.047 -4.784 -6.706 1.00 0.10 O ATOM 0 H GLY A 100 10.501 -0.849 -6.634 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.270 -2.931 -5.831 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.838 -3.497 -7.432 1.00 0.08 H new ATOM 1556 N VAL A 101 12.906 -2.866 -7.463 1.00 0.08 N ATOM 1557 CA VAL A 101 14.226 -3.406 -7.602 1.00 0.09 C ATOM 1558 C VAL A 101 15.230 -2.501 -6.949 1.00 0.08 C ATOM 1559 O VAL A 101 15.200 -1.284 -7.077 1.00 0.09 O ATOM 1560 CB VAL A 101 14.594 -3.666 -9.070 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.574 -2.376 -9.882 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.950 -4.356 -9.159 1.00 0.15 C ATOM 0 H VAL A 101 12.812 -1.892 -7.749 1.00 0.08 H new ATOM 0 HA VAL A 101 14.241 -4.372 -7.097 1.00 0.09 H new ATOM 0 HB VAL A 101 13.843 -4.329 -9.500 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.839 -2.593 -10.917 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.576 -1.939 -9.847 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.293 -1.672 -9.464 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.199 -4.535 -10.205 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.712 -3.720 -8.708 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.910 -5.307 -8.628 1.00 0.15 H new ATOM 1572 N LEU A 102 16.105 -3.138 -6.251 1.00 0.07 N ATOM 1573 CA LEU A 102 17.106 -2.499 -5.471 1.00 0.07 C ATOM 1574 C LEU A 102 18.119 -1.774 -6.337 1.00 0.09 C ATOM 1575 O LEU A 102 18.367 -2.132 -7.488 1.00 0.11 O ATOM 1576 CB LEU A 102 17.785 -3.587 -4.668 1.00 0.07 C ATOM 1577 CG LEU A 102 19.280 -3.404 -4.424 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.510 -2.414 -3.304 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.963 -4.721 -4.119 1.00 0.07 C ATOM 0 H LEU A 102 16.144 -4.156 -6.206 1.00 0.07 H new ATOM 0 HA LEU A 102 16.656 -1.744 -4.827 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.286 -3.663 -3.702 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.634 -4.537 -5.180 1.00 0.07 H new ATOM 0 HG LEU A 102 19.721 -3.012 -5.340 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.581 -2.292 -3.140 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.073 -1.452 -3.573 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.043 -2.783 -2.391 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.026 -4.549 -3.951 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.521 -5.162 -3.225 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.834 -5.401 -4.961 1.00 0.07 H new ATOM 1591 N ASP A 103 18.701 -0.765 -5.743 1.00 0.09 N ATOM 1592 CA ASP A 103 19.765 -0.010 -6.346 1.00 0.11 C ATOM 1593 C ASP A 103 21.044 -0.406 -5.668 1.00 0.11 C ATOM 1594 O ASP A 103 21.393 0.145 -4.649 1.00 0.10 O ATOM 1595 CB ASP A 103 19.576 1.473 -6.110 1.00 0.13 C ATOM 1596 CG ASP A 103 19.835 2.300 -7.348 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.860 2.746 -7.984 1.00 0.46 O ATOM 1598 OD2 ASP A 103 21.018 2.509 -7.696 1.00 0.48 O1- ATOM 0 H ASP A 103 18.444 -0.440 -4.811 1.00 0.09 H new ATOM 0 HA ASP A 103 19.779 -0.209 -7.418 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.559 1.654 -5.764 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.246 1.798 -5.314 1.00 0.13 H new ATOM 1603 N THR A 104 21.735 -1.346 -6.241 1.00 0.12 N ATOM 1604 CA THR A 104 22.971 -1.873 -5.671 1.00 0.14 C ATOM 1605 C THR A 104 24.044 -0.822 -5.703 1.00 0.16 C ATOM 1606 O THR A 104 25.095 -0.927 -5.064 1.00 0.19 O ATOM 1607 CB THR A 104 23.430 -3.095 -6.449 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.223 -2.710 -7.582 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.211 -3.827 -6.935 1.00 0.16 C ATOM 0 H THR A 104 21.468 -1.782 -7.124 1.00 0.12 H new ATOM 0 HA THR A 104 22.781 -2.160 -4.637 1.00 0.14 H new ATOM 0 HB THR A 104 24.036 -3.727 -5.800 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.510 -3.511 -8.068 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.517 -4.709 -7.497 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.605 -4.132 -6.082 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.626 -3.171 -7.579 1.00 0.16 H new ATOM 1617 N ASN A 105 23.734 0.197 -6.454 1.00 0.16 N ATOM 1618 CA ASN A 105 24.611 1.321 -6.638 1.00 0.20 C ATOM 1619 C ASN A 105 24.414 2.305 -5.515 1.00 0.19 C ATOM 1620 O ASN A 105 25.100 3.322 -5.413 1.00 0.26 O ATOM 1621 CB ASN A 105 24.307 1.986 -7.961 1.00 0.26 C ATOM 1622 CG ASN A 105 25.531 2.596 -8.604 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.815 3.783 -8.440 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.271 1.785 -9.332 1.00 0.90 N ATOM 0 H ASN A 105 22.853 0.272 -6.963 1.00 0.16 H new ATOM 0 HA ASN A 105 25.646 0.979 -6.636 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.873 1.252 -8.640 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.557 2.762 -7.809 1.00 0.26 H new ATOM 0 HD21 ASN A 105 27.115 2.134 -9.785 1.00 0.90 H new ATOM 0 HD22 ASN A 105 26.000 0.808 -9.442 1.00 0.90 H new ATOM 1631 N ALA A 106 23.457 1.975 -4.684 1.00 0.14 N ATOM 1632 CA ALA A 106 23.115 2.806 -3.533 1.00 0.13 C ATOM 1633 C ALA A 106 24.204 2.771 -2.496 1.00 0.14 C ATOM 1634 O ALA A 106 25.197 2.055 -2.617 1.00 0.20 O ATOM 1635 CB ALA A 106 21.794 2.389 -2.920 1.00 0.10 C ATOM 0 H ALA A 106 22.891 1.132 -4.776 1.00 0.14 H new ATOM 0 HA ALA A 106 23.013 3.830 -3.894 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.571 3.029 -2.066 1.00 0.10 H new ATOM 0 HB2 ALA A 106 21.002 2.486 -3.662 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.857 1.352 -2.590 1.00 0.10 H new ATOM 1641 N LYS A 107 23.996 3.552 -1.474 1.00 0.13 N ATOM 1642 CA LYS A 107 25.018 3.816 -0.504 1.00 0.14 C ATOM 1643 C LYS A 107 24.496 3.690 0.890 1.00 0.12 C ATOM 1644 O LYS A 107 23.939 4.636 1.415 1.00 0.12 O ATOM 1645 CB LYS A 107 25.534 5.221 -0.695 1.00 0.17 C ATOM 1646 CG LYS A 107 26.684 5.322 -1.654 1.00 0.25 C ATOM 1647 CD LYS A 107 27.852 4.495 -1.172 1.00 0.80 C ATOM 1648 CE LYS A 107 28.373 5.056 0.131 1.00 1.20 C ATOM 1649 NZ LYS A 107 28.993 6.395 -0.039 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.111 4.024 -1.291 1.00 0.13 H new ATOM 0 HA LYS A 107 25.813 3.084 -0.647 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.720 5.851 -1.052 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.844 5.618 0.272 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.372 4.981 -2.641 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.987 6.364 -1.758 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.544 3.459 -1.035 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.644 4.496 -1.921 1.00 0.80 H new ATOM 0 HE2 LYS A 107 27.554 5.126 0.847 1.00 1.20 H new ATOM 0 HE3 LYS A 107 29.107 4.369 0.552 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.607 6.599 0.775 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.559 6.407 -0.912 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 28.247 7.118 -0.100 1.00 1.99 H new ATOM 1663 N ALA A 108 24.693 2.547 1.498 1.00 0.11 N ATOM 1664 CA ALA A 108 24.202 2.345 2.841 1.00 0.10 C ATOM 1665 C ALA A 108 24.932 3.287 3.789 1.00 0.11 C ATOM 1666 O ALA A 108 26.091 3.069 4.141 1.00 0.13 O ATOM 1667 CB ALA A 108 24.353 0.888 3.249 1.00 0.10 C ATOM 0 H ALA A 108 25.184 1.750 1.092 1.00 0.11 H new ATOM 0 HA ALA A 108 23.138 2.576 2.886 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.978 0.754 4.264 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.784 0.258 2.565 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.405 0.607 3.211 1.00 0.10 H new ATOM 1673 N LYS A 109 24.241 4.378 4.113 1.00 0.11 N ATOM 1674 CA LYS A 109 24.716 5.420 5.009 1.00 0.13 C ATOM 1675 C LYS A 109 25.382 4.869 6.269 1.00 0.15 C ATOM 1676 O LYS A 109 25.174 3.720 6.651 1.00 0.14 O ATOM 1677 CB LYS A 109 23.533 6.286 5.426 1.00 0.14 C ATOM 1678 CG LYS A 109 23.207 7.346 4.407 1.00 0.15 C ATOM 1679 CD LYS A 109 22.090 8.265 4.865 1.00 0.17 C ATOM 1680 CE LYS A 109 20.747 7.577 4.759 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.629 8.456 5.195 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.307 4.563 3.746 1.00 0.11 H new ATOM 0 HA LYS A 109 25.467 5.993 4.466 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.659 5.653 5.579 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.754 6.761 6.382 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.100 7.937 4.204 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.920 6.869 3.470 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.266 8.571 5.896 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.088 9.171 4.259 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.581 7.265 3.728 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.755 6.673 5.368 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.824 7.870 5.495 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 19.943 9.047 5.991 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.338 9.066 4.404 1.00 0.26 H new ATOM 1695 N SER A 110 26.132 5.724 6.948 1.00 0.19 N ATOM 1696 CA SER A 110 26.735 5.375 8.227 1.00 0.22 C ATOM 1697 C SER A 110 25.671 5.350 9.312 1.00 0.23 C ATOM 1698 O SER A 110 25.952 5.100 10.486 1.00 0.26 O ATOM 1699 CB SER A 110 27.823 6.376 8.595 1.00 0.27 C ATOM 1700 OG SER A 110 28.758 6.525 7.537 1.00 0.29 O ATOM 0 H SER A 110 26.339 6.672 6.632 1.00 0.19 H new ATOM 0 HA SER A 110 27.184 4.386 8.140 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.371 7.341 8.824 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.338 6.043 9.496 1.00 0.27 H new ATOM 0 HG SER A 110 29.445 7.174 7.797 1.00 0.29 H new ATOM 1706 N ASP A 111 24.452 5.633 8.900 1.00 0.21 N ATOM 1707 CA ASP A 111 23.322 5.652 9.788 1.00 0.23 C ATOM 1708 C ASP A 111 22.404 4.496 9.444 1.00 0.19 C ATOM 1709 O ASP A 111 21.480 4.185 10.197 1.00 0.21 O ATOM 1710 CB ASP A 111 22.564 6.974 9.678 1.00 0.28 C ATOM 1711 CG ASP A 111 23.354 8.153 10.209 1.00 0.77 C ATOM 1712 OD1 ASP A 111 23.853 8.953 9.392 1.00 1.51 O ATOM 1713 OD2 ASP A 111 23.489 8.279 11.445 1.00 0.70 O1- ATOM 0 H ASP A 111 24.223 5.857 7.932 1.00 0.21 H new ATOM 0 HA ASP A 111 23.675 5.552 10.814 1.00 0.23 H new ATOM 0 HB2 ASP A 111 22.309 7.155 8.634 1.00 0.28 H new ATOM 0 HB3 ASP A 111 21.625 6.895 10.227 1.00 0.28 H new ATOM 1718 N ALA A 112 22.649 3.885 8.276 1.00 0.14 N ATOM 1719 CA ALA A 112 21.943 2.681 7.869 1.00 0.11 C ATOM 1720 C ALA A 112 21.878 1.668 8.981 1.00 0.12 C ATOM 1721 O ALA A 112 22.878 1.091 9.412 1.00 0.15 O ATOM 1722 CB ALA A 112 22.581 2.054 6.646 1.00 0.10 C ATOM 0 H ALA A 112 23.337 4.214 7.599 1.00 0.14 H new ATOM 0 HA ALA A 112 20.926 2.985 7.620 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.029 1.156 6.368 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.559 2.764 5.819 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.615 1.790 6.870 1.00 0.10 H new ATOM 1728 N LYS A 113 20.670 1.477 9.417 1.00 0.11 N ATOM 1729 CA LYS A 113 20.347 0.550 10.457 1.00 0.13 C ATOM 1730 C LYS A 113 19.132 -0.237 10.027 1.00 0.12 C ATOM 1731 O LYS A 113 18.002 0.245 10.089 1.00 0.13 O ATOM 1732 CB LYS A 113 20.082 1.319 11.728 1.00 0.15 C ATOM 1733 CG LYS A 113 20.522 0.592 12.981 1.00 0.24 C ATOM 1734 CD LYS A 113 20.274 1.420 14.233 1.00 0.34 C ATOM 1735 CE LYS A 113 18.789 1.653 14.473 1.00 1.46 C ATOM 1736 NZ LYS A 113 18.544 2.469 15.690 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.860 1.976 9.049 1.00 0.11 H new ATOM 0 HA LYS A 113 21.168 -0.143 10.642 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.596 2.279 11.676 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.015 1.532 11.798 1.00 0.15 H new ATOM 0 HG2 LYS A 113 19.986 -0.354 13.059 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.583 0.352 12.908 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.706 0.913 15.096 1.00 0.34 H new ATOM 0 HD3 LYS A 113 20.782 2.380 14.140 1.00 0.34 H new ATOM 0 HE2 LYS A 113 18.356 2.154 13.607 1.00 1.46 H new ATOM 0 HE3 LYS A 113 18.283 0.693 14.572 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 17.521 2.604 15.817 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 18.934 1.980 16.520 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 19.005 3.395 15.586 1.00 2.22 H new ATOM 1750 N PHE A 114 19.383 -1.437 9.567 1.00 0.11 N ATOM 1751 CA PHE A 114 18.381 -2.205 8.860 1.00 0.10 C ATOM 1752 C PHE A 114 17.526 -3.063 9.762 1.00 0.12 C ATOM 1753 O PHE A 114 17.894 -3.400 10.886 1.00 0.15 O ATOM 1754 CB PHE A 114 19.041 -3.071 7.812 1.00 0.08 C ATOM 1755 CG PHE A 114 19.570 -2.275 6.681 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.847 -1.760 6.735 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.793 -2.041 5.567 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.344 -1.021 5.698 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.285 -1.302 4.523 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.546 -0.805 4.568 1.00 0.06 C ATOM 0 H PHE A 114 20.281 -1.910 9.669 1.00 0.11 H new ATOM 0 HA PHE A 114 17.713 -1.481 8.394 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.854 -3.635 8.269 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.320 -3.798 7.437 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.461 -1.942 7.605 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.791 -2.442 5.517 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.341 -0.608 5.750 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.665 -1.114 3.659 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.935 -0.242 3.732 1.00 0.06 H new ATOM 1770 N THR A 115 16.371 -3.388 9.226 1.00 0.12 N ATOM 1771 CA THR A 115 15.438 -4.298 9.827 1.00 0.13 C ATOM 1772 C THR A 115 14.995 -5.278 8.770 1.00 0.13 C ATOM 1773 O THR A 115 14.759 -4.892 7.623 1.00 0.13 O ATOM 1774 CB THR A 115 14.229 -3.543 10.414 1.00 0.15 C ATOM 1775 OG1 THR A 115 13.909 -2.411 9.591 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.520 -3.074 11.828 1.00 0.20 C ATOM 0 H THR A 115 16.051 -3.012 8.333 1.00 0.12 H new ATOM 0 HA THR A 115 15.916 -4.827 10.652 1.00 0.13 H new ATOM 0 HB THR A 115 13.381 -4.227 10.439 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.139 -1.938 9.970 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.653 -2.544 12.221 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.736 -3.935 12.460 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.381 -2.405 11.820 1.00 0.20 H new ATOM 1784 N ASP A 116 14.956 -6.546 9.132 1.00 0.16 N ATOM 1785 CA ASP A 116 14.496 -7.588 8.235 1.00 0.18 C ATOM 1786 C ASP A 116 13.004 -7.477 8.082 1.00 0.17 C ATOM 1787 O ASP A 116 12.230 -8.315 8.550 1.00 0.23 O ATOM 1788 CB ASP A 116 14.886 -8.957 8.767 1.00 0.24 C ATOM 1789 CG ASP A 116 16.306 -9.349 8.408 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.193 -9.257 9.287 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.548 -9.735 7.244 1.00 0.88 O1- ATOM 0 H ASP A 116 15.241 -6.882 10.052 1.00 0.16 H new ATOM 0 HA ASP A 116 14.967 -7.466 7.259 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.776 -8.964 9.851 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.198 -9.704 8.372 1.00 0.24 H new ATOM 1796 N ILE A 117 12.629 -6.412 7.423 1.00 0.14 N ATOM 1797 CA ILE A 117 11.259 -5.994 7.342 1.00 0.13 C ATOM 1798 C ILE A 117 10.418 -6.937 6.541 1.00 0.15 C ATOM 1799 O ILE A 117 10.696 -7.223 5.378 1.00 0.18 O ATOM 1800 CB ILE A 117 11.141 -4.588 6.763 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.760 -3.617 7.746 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.684 -4.237 6.478 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.498 -2.169 7.421 1.00 0.12 C ATOM 0 H ILE A 117 13.277 -5.804 6.922 1.00 0.14 H new ATOM 0 HA ILE A 117 10.883 -5.994 8.365 1.00 0.13 H new ATOM 0 HB ILE A 117 11.671 -4.531 5.812 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.376 -3.831 8.743 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.837 -3.783 7.777 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.626 -3.230 6.066 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.272 -4.947 5.760 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.111 -4.284 7.404 1.00 0.12 H new ATOM 0 HD11 ILE A 117 11.973 -1.536 8.170 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.907 -1.937 6.438 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.424 -1.985 7.419 1.00 0.12 H new ATOM 1815 N LYS A 118 9.411 -7.449 7.193 1.00 0.14 N ATOM 1816 CA LYS A 118 8.385 -8.163 6.504 1.00 0.16 C ATOM 1817 C LYS A 118 7.180 -7.312 6.293 1.00 0.14 C ATOM 1818 O LYS A 118 6.479 -6.915 7.224 1.00 0.22 O ATOM 1819 CB LYS A 118 8.028 -9.433 7.224 1.00 0.23 C ATOM 1820 CG LYS A 118 9.180 -10.371 7.175 1.00 0.30 C ATOM 1821 CD LYS A 118 9.361 -10.937 5.780 1.00 0.38 C ATOM 1822 CE LYS A 118 8.439 -12.114 5.517 1.00 1.10 C ATOM 1823 NZ LYS A 118 8.385 -12.449 4.072 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.283 -7.382 8.203 1.00 0.14 H new ATOM 0 HA LYS A 118 8.776 -8.434 5.523 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.766 -9.215 8.259 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.153 -9.891 6.764 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.089 -9.853 7.482 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.022 -11.184 7.884 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.169 -10.156 5.045 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.396 -11.252 5.648 1.00 0.38 H new ATOM 0 HE2 LYS A 118 8.784 -12.981 6.080 1.00 1.10 H new ATOM 0 HE3 LYS A 118 7.437 -11.880 5.875 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 7.659 -13.176 3.911 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 8.147 -11.596 3.527 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 9.311 -12.810 3.764 1.00 1.87 H new ATOM 1837 N THR A 119 6.974 -7.028 5.048 1.00 0.10 N ATOM 1838 CA THR A 119 5.816 -6.320 4.605 1.00 0.09 C ATOM 1839 C THR A 119 4.732 -7.313 4.326 1.00 0.12 C ATOM 1840 O THR A 119 3.549 -6.978 4.242 1.00 0.16 O ATOM 1841 CB THR A 119 6.142 -5.588 3.318 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.434 -6.532 2.282 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.335 -4.718 3.531 1.00 0.06 C ATOM 0 H THR A 119 7.616 -7.285 4.298 1.00 0.10 H new ATOM 0 HA THR A 119 5.499 -5.608 5.367 1.00 0.09 H new ATOM 0 HB THR A 119 5.285 -4.981 3.027 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.359 -6.842 2.373 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.571 -4.191 2.606 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.122 -3.994 4.317 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.186 -5.333 3.825 1.00 0.06 H new ATOM 1851 N GLY A 120 5.160 -8.553 4.182 1.00 0.13 N ATOM 1852 CA GLY A 120 4.263 -9.560 3.723 1.00 0.14 C ATOM 1853 C GLY A 120 4.360 -9.738 2.224 1.00 0.13 C ATOM 1854 O GLY A 120 3.871 -10.725 1.673 1.00 0.18 O ATOM 0 H GLY A 120 6.110 -8.870 4.376 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.488 -10.504 4.219 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.242 -9.292 3.995 1.00 0.14 H new ATOM 1858 N ASN A 121 4.997 -8.777 1.562 1.00 0.10 N ATOM 1859 CA ASN A 121 5.206 -8.850 0.129 1.00 0.10 C ATOM 1860 C ASN A 121 6.557 -9.468 -0.152 1.00 0.16 C ATOM 1861 O ASN A 121 7.537 -8.758 -0.262 1.00 0.30 O ATOM 1862 CB ASN A 121 5.143 -7.450 -0.491 1.00 0.11 C ATOM 1863 CG ASN A 121 5.190 -7.467 -1.998 1.00 0.16 C ATOM 1864 OD1 ASN A 121 4.886 -8.473 -2.638 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.534 -6.330 -2.576 1.00 0.13 N ATOM 0 H ASN A 121 5.377 -7.938 2.001 1.00 0.10 H new ATOM 0 HA ASN A 121 4.421 -9.465 -0.312 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.226 -6.957 -0.168 1.00 0.11 H new ATOM 0 HB3 ASN A 121 5.975 -6.855 -0.114 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.555 -6.261 -3.593 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.778 -5.521 -2.005 1.00 0.13 H new ATOM 1872 N THR A 122 6.600 -10.790 -0.232 1.00 0.15 N ATOM 1873 CA THR A 122 7.853 -11.534 -0.257 1.00 0.16 C ATOM 1874 C THR A 122 8.876 -10.953 -1.198 1.00 0.12 C ATOM 1875 O THR A 122 9.958 -10.612 -0.768 1.00 0.11 O ATOM 1876 CB THR A 122 7.608 -12.972 -0.661 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.606 -13.562 0.179 1.00 0.26 O ATOM 1878 CG2 THR A 122 8.894 -13.770 -0.584 1.00 0.19 C ATOM 0 H THR A 122 5.768 -11.378 -0.281 1.00 0.15 H new ATOM 0 HA THR A 122 8.250 -11.472 0.756 1.00 0.16 H new ATOM 0 HB THR A 122 7.252 -12.986 -1.691 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.456 -14.491 -0.094 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.700 -14.802 -0.878 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.633 -13.334 -1.256 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.275 -13.749 0.437 1.00 0.19 H new ATOM 1886 N GLU A 123 8.536 -10.857 -2.469 1.00 0.14 N ATOM 1887 CA GLU A 123 9.441 -10.326 -3.471 1.00 0.14 C ATOM 1888 C GLU A 123 9.987 -8.993 -3.036 1.00 0.11 C ATOM 1889 O GLU A 123 11.159 -8.707 -3.224 1.00 0.15 O ATOM 1890 CB GLU A 123 8.702 -10.179 -4.780 1.00 0.21 C ATOM 1891 CG GLU A 123 7.951 -11.431 -5.156 1.00 0.30 C ATOM 1892 CD GLU A 123 8.534 -12.115 -6.368 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.561 -12.811 -6.226 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.967 -11.966 -7.467 1.00 1.46 O1- ATOM 0 H GLU A 123 7.628 -11.144 -2.835 1.00 0.14 H new ATOM 0 HA GLU A 123 10.277 -11.014 -3.597 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.003 -9.346 -4.708 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.412 -9.932 -5.570 1.00 0.21 H new ATOM 0 HG2 GLU A 123 7.960 -12.123 -4.314 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.908 -11.180 -5.351 1.00 0.30 H new ATOM 1901 N LEU A 124 9.137 -8.209 -2.403 1.00 0.09 N ATOM 1902 CA LEU A 124 9.542 -6.937 -1.866 1.00 0.07 C ATOM 1903 C LEU A 124 10.433 -7.164 -0.683 1.00 0.08 C ATOM 1904 O LEU A 124 11.462 -6.541 -0.561 1.00 0.08 O ATOM 1905 CB LEU A 124 8.351 -6.152 -1.398 1.00 0.07 C ATOM 1906 CG LEU A 124 8.718 -5.015 -0.478 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.460 -3.966 -1.245 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.495 -4.458 0.172 1.00 0.05 C ATOM 0 H LEU A 124 8.155 -8.438 -2.250 1.00 0.09 H new ATOM 0 HA LEU A 124 10.059 -6.385 -2.650 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.822 -5.755 -2.264 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.662 -6.821 -0.883 1.00 0.07 H new ATOM 0 HG LEU A 124 9.371 -5.384 0.313 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.724 -3.146 -0.578 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.368 -4.397 -1.666 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.829 -3.590 -2.051 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.776 -3.638 0.833 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.812 -4.089 -0.593 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.003 -5.239 0.751 1.00 0.05 H new ATOM 1920 N ASP A 125 10.010 -8.070 0.175 1.00 0.09 N ATOM 1921 CA ASP A 125 10.750 -8.442 1.358 1.00 0.12 C ATOM 1922 C ASP A 125 12.148 -8.867 0.946 1.00 0.12 C ATOM 1923 O ASP A 125 13.125 -8.668 1.666 1.00 0.19 O ATOM 1924 CB ASP A 125 10.017 -9.588 2.070 1.00 0.21 C ATOM 1925 CG ASP A 125 8.733 -9.156 2.765 1.00 0.97 C ATOM 1926 OD1 ASP A 125 7.868 -10.013 3.042 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.586 -7.942 3.035 1.00 1.21 O1- ATOM 0 H ASP A 125 9.130 -8.574 0.066 1.00 0.09 H new ATOM 0 HA ASP A 125 10.826 -7.599 2.045 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.782 -10.365 1.342 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.686 -10.033 2.806 1.00 0.21 H new ATOM 1932 N LYS A 126 12.216 -9.446 -0.240 1.00 0.10 N ATOM 1933 CA LYS A 126 13.462 -9.843 -0.845 1.00 0.10 C ATOM 1934 C LYS A 126 14.200 -8.684 -1.495 1.00 0.11 C ATOM 1935 O LYS A 126 15.410 -8.751 -1.670 1.00 0.17 O ATOM 1936 CB LYS A 126 13.180 -10.938 -1.869 1.00 0.11 C ATOM 1937 CG LYS A 126 12.300 -12.042 -1.320 1.00 0.13 C ATOM 1938 CD LYS A 126 12.258 -13.264 -2.229 1.00 0.18 C ATOM 1939 CE LYS A 126 13.644 -13.831 -2.497 1.00 0.62 C ATOM 1940 NZ LYS A 126 13.594 -15.034 -3.369 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.396 -9.653 -0.811 1.00 0.10 H new ATOM 0 HA LYS A 126 14.117 -10.215 -0.057 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.700 -10.497 -2.743 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.124 -11.366 -2.206 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.665 -12.338 -0.337 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.288 -11.661 -1.183 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.635 -14.033 -1.772 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.789 -12.995 -3.175 1.00 0.18 H new ATOM 0 HE2 LYS A 126 14.263 -13.067 -2.968 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.120 -14.089 -1.551 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 14.559 -15.389 -3.527 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 13.024 -15.773 -2.909 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.164 -14.783 -4.282 1.00 1.29 H new ATOM 1954 N VAL A 127 13.503 -7.617 -1.828 1.00 0.08 N ATOM 1955 CA VAL A 127 14.153 -6.476 -2.427 1.00 0.07 C ATOM 1956 C VAL A 127 14.527 -5.496 -1.336 1.00 0.06 C ATOM 1957 O VAL A 127 15.500 -4.754 -1.441 1.00 0.06 O ATOM 1958 CB VAL A 127 13.280 -5.769 -3.466 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.073 -4.672 -4.141 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.763 -6.745 -4.502 1.00 0.09 C ATOM 0 H VAL A 127 12.497 -7.518 -1.695 1.00 0.08 H new ATOM 0 HA VAL A 127 15.037 -6.841 -2.949 1.00 0.07 H new ATOM 0 HB VAL A 127 12.422 -5.335 -2.952 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.447 -4.172 -4.880 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.402 -3.949 -3.395 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.943 -5.104 -4.636 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.146 -6.214 -5.227 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.604 -7.211 -5.015 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.166 -7.514 -4.012 1.00 0.09 H new ATOM 1970 N LEU A 128 13.743 -5.524 -0.276 1.00 0.06 N ATOM 1971 CA LEU A 128 14.051 -4.792 0.929 1.00 0.05 C ATOM 1972 C LEU A 128 15.419 -5.241 1.356 1.00 0.06 C ATOM 1973 O LEU A 128 16.336 -4.467 1.612 1.00 0.06 O ATOM 1974 CB LEU A 128 13.076 -5.180 2.025 1.00 0.06 C ATOM 1975 CG LEU A 128 11.623 -4.901 1.725 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.765 -5.225 2.932 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.441 -3.459 1.302 1.00 0.06 C ATOM 0 H LEU A 128 12.874 -6.057 -0.230 1.00 0.06 H new ATOM 0 HA LEU A 128 13.995 -3.717 0.755 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.190 -6.245 2.229 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.350 -4.649 2.937 1.00 0.06 H new ATOM 0 HG LEU A 128 11.305 -5.539 0.901 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.720 -5.019 2.701 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.879 -6.278 3.188 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.078 -4.611 3.776 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.388 -3.272 1.089 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.771 -2.800 2.105 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.032 -3.265 0.407 1.00 0.06 H new ATOM 1989 N ASP A 129 15.496 -6.555 1.348 1.00 0.06 N ATOM 1990 CA ASP A 129 16.673 -7.328 1.704 1.00 0.07 C ATOM 1991 C ASP A 129 17.847 -6.961 0.861 1.00 0.07 C ATOM 1992 O ASP A 129 18.962 -6.787 1.333 1.00 0.07 O ATOM 1993 CB ASP A 129 16.371 -8.760 1.371 1.00 0.10 C ATOM 1994 CG ASP A 129 16.976 -9.752 2.339 1.00 0.17 C ATOM 1995 OD1 ASP A 129 17.949 -10.436 1.974 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.477 -9.846 3.481 1.00 0.35 O1- ATOM 0 H ASP A 129 14.706 -7.142 1.082 1.00 0.06 H new ATOM 0 HA ASP A 129 16.901 -7.149 2.755 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.290 -8.899 1.351 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.738 -8.975 0.368 1.00 0.10 H new ATOM 2001 N LYS A 130 17.552 -6.940 -0.412 1.00 0.07 N ATOM 2002 CA LYS A 130 18.465 -6.581 -1.458 1.00 0.07 C ATOM 2003 C LYS A 130 19.255 -5.379 -1.057 1.00 0.06 C ATOM 2004 O LYS A 130 20.476 -5.351 -1.147 1.00 0.07 O ATOM 2005 CB LYS A 130 17.588 -6.290 -2.648 1.00 0.08 C ATOM 2006 CG LYS A 130 17.683 -7.260 -3.803 1.00 0.12 C ATOM 2007 CD LYS A 130 17.838 -8.658 -3.327 1.00 0.15 C ATOM 2008 CE LYS A 130 19.270 -9.160 -3.456 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.383 -10.595 -3.093 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.625 -7.184 -0.761 1.00 0.07 H new ATOM 0 HA LYS A 130 19.189 -7.366 -1.676 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.552 -6.260 -2.310 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.832 -5.294 -3.017 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.788 -7.182 -4.420 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.530 -6.993 -4.435 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.527 -8.721 -2.284 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.175 -9.309 -3.897 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.616 -9.015 -4.480 1.00 1.00 H new ATOM 0 HE3 LYS A 130 19.922 -8.569 -2.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.372 -10.902 -3.193 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.077 -10.729 -2.108 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 18.780 -11.161 -3.723 1.00 1.66 H new ATOM 2023 N ALA A 131 18.542 -4.428 -0.542 1.00 0.06 N ATOM 2024 CA ALA A 131 19.134 -3.189 -0.117 1.00 0.05 C ATOM 2025 C ALA A 131 19.989 -3.421 1.096 1.00 0.05 C ATOM 2026 O ALA A 131 21.142 -3.034 1.146 1.00 0.05 O ATOM 2027 CB ALA A 131 18.062 -2.201 0.212 1.00 0.04 C ATOM 0 H ALA A 131 17.533 -4.484 -0.402 1.00 0.06 H new ATOM 0 HA ALA A 131 19.752 -2.797 -0.925 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.517 -1.264 0.533 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.448 -2.022 -0.671 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.438 -2.595 1.014 1.00 0.04 H new ATOM 2033 N ILE A 132 19.404 -4.060 2.078 1.00 0.05 N ATOM 2034 CA ILE A 132 20.111 -4.433 3.281 1.00 0.06 C ATOM 2035 C ILE A 132 21.377 -5.186 2.961 1.00 0.08 C ATOM 2036 O ILE A 132 22.326 -5.194 3.738 1.00 0.09 O ATOM 2037 CB ILE A 132 19.235 -5.320 4.145 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.817 -4.776 4.071 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.746 -5.379 5.577 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.885 -5.209 5.178 1.00 0.07 C ATOM 0 H ILE A 132 18.423 -4.337 2.067 1.00 0.05 H new ATOM 0 HA ILE A 132 20.364 -3.514 3.810 1.00 0.06 H new ATOM 0 HB ILE A 132 19.257 -6.346 3.778 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.866 -3.687 4.069 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.382 -5.077 3.118 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.096 -6.023 6.169 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.759 -5.780 5.585 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.750 -4.376 6.004 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.903 -4.761 5.023 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.794 -6.295 5.173 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.285 -4.883 6.138 1.00 0.07 H new ATOM 2052 N SER A 133 21.389 -5.806 1.804 1.00 0.08 N ATOM 2053 CA SER A 133 22.505 -6.580 1.391 1.00 0.10 C ATOM 2054 C SER A 133 23.602 -5.674 0.829 1.00 0.08 C ATOM 2055 O SER A 133 24.739 -6.094 0.604 1.00 0.11 O ATOM 2056 CB SER A 133 22.029 -7.588 0.390 1.00 0.13 C ATOM 2057 OG SER A 133 21.325 -8.644 1.021 1.00 1.33 O ATOM 0 H SER A 133 20.621 -5.780 1.134 1.00 0.08 H new ATOM 0 HA SER A 133 22.945 -7.108 2.237 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.382 -7.102 -0.340 1.00 0.13 H new ATOM 0 HB3 SER A 133 22.881 -7.991 -0.157 1.00 0.13 H new ATOM 0 HG SER A 133 20.424 -8.340 1.259 1.00 1.33 H new ATOM 2063 N LEU A 134 23.229 -4.424 0.603 1.00 0.08 N ATOM 2064 CA LEU A 134 24.160 -3.356 0.291 1.00 0.08 C ATOM 2065 C LEU A 134 24.715 -2.787 1.586 1.00 0.08 C ATOM 2066 O LEU A 134 25.818 -2.239 1.616 1.00 0.10 O ATOM 2067 CB LEU A 134 23.455 -2.241 -0.468 1.00 0.07 C ATOM 2068 CG LEU A 134 23.243 -2.403 -1.965 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.609 -3.725 -2.319 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.391 -1.252 -2.434 1.00 0.08 C ATOM 0 H LEU A 134 22.256 -4.121 0.632 1.00 0.08 H new ATOM 0 HA LEU A 134 24.963 -3.759 -0.326 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.477 -2.094 -0.009 1.00 0.07 H new ATOM 0 HB3 LEU A 134 24.022 -1.323 -0.311 1.00 0.07 H new ATOM 0 HG LEU A 134 24.211 -2.396 -2.466 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.480 -3.789 -3.399 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.251 -4.538 -1.981 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.637 -3.804 -1.832 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.220 -1.339 -3.507 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.435 -1.271 -1.912 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.901 -0.312 -2.223 1.00 0.08 H new ATOM 2082 N GLY A 135 23.919 -2.903 2.651 1.00 0.09 N ATOM 2083 CA GLY A 135 24.338 -2.426 3.952 1.00 0.12 C ATOM 2084 C GLY A 135 25.547 -3.166 4.488 1.00 0.27 C ATOM 2085 O GLY A 135 25.718 -4.360 4.162 1.00 1.05 O ATOM 2086 OXT GLY A 135 26.336 -2.557 5.237 1.00 1.19 O ATOM 0 H GLY A 135 22.989 -3.321 2.630 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.568 -1.363 3.887 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.512 -2.531 4.656 1.00 0.12 H new TER 2090 GLY A 135