USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=46 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 38 ASN : amide:sc= -1.92! C(o=-1.1!,f=-7!) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.863 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0.0207 USER MOD Set 2.2: A 36 TYR OH : rot -153:sc= 0.559 USER MOD Set 2.3: A 77 SER OG : rot -2:sc= 1.08 USER MOD Set 2.4: A 81 GLN :FLIP amide:sc= -0.56 F(o=-0.76,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.132 (180deg=-0.587) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 8 SER OG : rot 63:sc= 0.113 USER MOD Single : A 9 THR OG1 : rot -14:sc= 1.2 USER MOD Single : A 10 LYS NZ :NH3+ 136:sc= -0.259 (180deg=-0.612) 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 : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 160:sc= 0.444 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.587 K(o=0.59,f=-0.34) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.55 F(o=-7.7!,f=-1.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 29 ASN : amide:sc= -3.25! C(o=-3.3!,f=-5.4!) USER MOD Single : A 30 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 40 ASN : amide:sc= -0.545 K(o=-0.54,f=-4!) USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= -1.14! (180deg=-1.54!) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.14 (180deg=0.913) USER MOD Single : A 46 ASN : amide:sc= -5.88! C(o=-5.9!,f=-13!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00908 F(o=-0.93,f=-0.0091) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.07) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 1.23 (180deg=0.987) USER MOD Single : A 65 SER OG : rot 79:sc= 0.239 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -8.18! C(o=-9.8!,f=-8.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.508 (180deg=0.338) USER MOD Single : A 73 SER OG : rot 38:sc= 1.05 USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.131 (180deg=-0.526) USER MOD Single : A 75 TYR OH : rot 165:sc= -0.0129 USER MOD Single : A 80 THR OG1 : rot 53:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.07 F(o=-1.8!,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= -7.17! C(o=-7.2!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= 0.245 K(o=0.24,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0107 (180deg=-0.19) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= 0.881 (180deg=0.671) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 170:sc= -0.0283 (180deg=-0.21) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 118 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0882) USER MOD Single : A 119 THR OG1 : rot -74:sc= -0.328! USER MOD Single : A 121 ASN : amide:sc= -4.8! C(o=-4.8!,f=-8.5!) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.407 -1.749 23.911 1.00 22.48 N ATOM 2 CA GLY A 1 -44.028 -1.681 22.478 1.00 22.34 C ATOM 3 C GLY A 1 -42.684 -1.016 22.270 1.00 22.10 C ATOM 4 O GLY A 1 -41.640 -1.623 22.513 1.00 22.12 O ATOM 0 H1 GLY A 1 -45.334 -2.212 24.003 1.00 22.48 H new ATOM 0 H2 GLY A 1 -43.693 -2.296 24.433 1.00 22.48 H new ATOM 0 H3 GLY A 1 -44.460 -0.787 24.302 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -44.000 -2.689 22.064 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -44.792 -1.131 21.928 1.00 22.34 H new ATOM 10 N HIS A 2 -42.705 0.240 21.839 1.00 21.98 N ATOM 11 CA HIS A 2 -41.477 0.968 21.542 1.00 21.88 C ATOM 12 C HIS A 2 -40.883 1.575 22.803 1.00 21.50 C ATOM 13 O HIS A 2 -41.601 2.122 23.638 1.00 21.64 O ATOM 14 CB HIS A 2 -41.731 2.076 20.519 1.00 22.32 C ATOM 15 CG HIS A 2 -42.041 1.579 19.144 1.00 22.67 C ATOM 16 ND1 HIS A 2 -41.086 1.452 18.163 1.00 22.91 N ATOM 17 CD2 HIS A 2 -43.209 1.190 18.584 1.00 22.94 C ATOM 18 CE1 HIS A 2 -41.652 1.007 17.059 1.00 23.31 C ATOM 19 NE2 HIS A 2 -42.941 0.839 17.286 1.00 23.33 N ATOM 0 H HIS A 2 -43.560 0.776 21.687 1.00 21.98 H new ATOM 0 HA HIS A 2 -40.769 0.252 21.125 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -42.560 2.693 20.866 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -40.853 2.720 20.471 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -44.174 1.161 19.069 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -41.146 0.812 16.125 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -43.625 0.503 16.608 1.00 23.33 H new ATOM 28 N MET A 3 -39.572 1.480 22.928 1.00 21.13 N ATOM 29 CA MET A 3 -38.860 2.045 24.066 1.00 20.87 C ATOM 30 C MET A 3 -37.444 2.409 23.657 1.00 20.26 C ATOM 31 O MET A 3 -37.045 3.573 23.710 1.00 20.24 O ATOM 32 CB MET A 3 -38.828 1.051 25.231 1.00 21.09 C ATOM 33 CG MET A 3 -38.031 1.541 26.430 1.00 21.38 C ATOM 34 SD MET A 3 -38.037 0.376 27.805 1.00 21.89 S ATOM 35 CE MET A 3 -37.257 -1.051 27.052 1.00 22.11 C ATOM 0 H MET A 3 -38.971 1.012 22.249 1.00 21.13 H new ATOM 0 HA MET A 3 -39.384 2.943 24.393 1.00 20.87 H new ATOM 0 HB2 MET A 3 -39.850 0.841 25.546 1.00 21.09 H new ATOM 0 HB3 MET A 3 -38.402 0.110 24.883 1.00 21.09 H new ATOM 0 HG2 MET A 3 -37.002 1.727 26.123 1.00 21.38 H new ATOM 0 HG3 MET A 3 -38.440 2.493 26.767 1.00 21.38 H new ATOM 0 HE1 MET A 3 -36.901 -1.725 27.831 1.00 22.11 H new ATOM 0 HE2 MET A 3 -37.980 -1.572 26.424 1.00 22.11 H new ATOM 0 HE3 MET A 3 -36.415 -0.725 26.441 1.00 22.11 H new ATOM 45 N GLN A 4 -36.698 1.401 23.242 1.00 19.88 N ATOM 46 CA GLN A 4 -35.336 1.582 22.778 1.00 19.37 C ATOM 47 C GLN A 4 -34.903 0.331 22.034 1.00 18.69 C ATOM 48 O GLN A 4 -35.033 -0.776 22.562 1.00 18.61 O ATOM 49 CB GLN A 4 -34.396 1.855 23.956 1.00 19.44 C ATOM 50 CG GLN A 4 -32.994 2.258 23.536 1.00 19.70 C ATOM 51 CD GLN A 4 -32.062 2.432 24.715 1.00 20.20 C ATOM 52 OE1 GLN A 4 -32.489 2.783 25.814 1.00 20.59 O ATOM 53 NE2 GLN A 4 -30.782 2.186 24.496 1.00 20.31 N ATOM 0 H GLN A 4 -37.020 0.434 23.218 1.00 19.88 H new ATOM 0 HA GLN A 4 -35.291 2.442 22.109 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -34.822 2.645 24.574 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -34.337 0.961 24.577 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -32.588 1.501 22.865 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -33.041 3.191 22.974 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -30.470 1.897 23.569 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -30.107 2.285 25.254 1.00 20.31 H new ATOM 62 N VAL A 5 -34.405 0.515 20.814 1.00 18.32 N ATOM 63 CA VAL A 5 -34.028 -0.598 19.947 1.00 17.78 C ATOM 64 C VAL A 5 -35.270 -1.378 19.523 1.00 17.06 C ATOM 65 O VAL A 5 -35.705 -2.303 20.212 1.00 16.99 O ATOM 66 CB VAL A 5 -33.015 -1.555 20.624 1.00 18.09 C ATOM 67 CG1 VAL A 5 -32.653 -2.710 19.702 1.00 18.26 C ATOM 68 CG2 VAL A 5 -31.762 -0.802 21.043 1.00 18.37 C ATOM 0 H VAL A 5 -34.252 1.435 20.400 1.00 18.32 H new ATOM 0 HA VAL A 5 -33.541 -0.171 19.070 1.00 17.78 H new ATOM 0 HB VAL A 5 -33.489 -1.966 21.515 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -31.941 -3.366 20.203 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -33.553 -3.273 19.454 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -32.206 -2.319 18.788 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -31.064 -1.492 21.516 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -31.294 -0.358 20.165 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -32.029 -0.015 21.749 1.00 18.37 H new ATOM 78 N ALA A 6 -35.855 -0.977 18.401 1.00 16.65 N ATOM 79 CA ALA A 6 -37.045 -1.634 17.880 1.00 16.09 C ATOM 80 C ALA A 6 -36.704 -3.020 17.346 1.00 15.56 C ATOM 81 O ALA A 6 -36.364 -3.183 16.173 1.00 15.23 O ATOM 82 CB ALA A 6 -37.687 -0.784 16.794 1.00 16.02 C ATOM 0 H ALA A 6 -35.523 -0.197 17.834 1.00 16.65 H new ATOM 0 HA ALA A 6 -37.759 -1.750 18.695 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -38.575 -1.289 16.415 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -37.969 0.184 17.209 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -36.977 -0.637 15.980 1.00 16.02 H new ATOM 88 N ARG A 7 -36.792 -4.012 18.225 1.00 15.63 N ATOM 89 CA ARG A 7 -36.470 -5.391 17.881 1.00 15.34 C ATOM 90 C ARG A 7 -37.383 -5.893 16.768 1.00 14.74 C ATOM 91 O ARG A 7 -36.942 -6.574 15.842 1.00 14.45 O ATOM 92 CB ARG A 7 -36.603 -6.284 19.116 1.00 15.83 C ATOM 93 CG ARG A 7 -35.759 -5.822 20.294 1.00 16.12 C ATOM 94 CD ARG A 7 -35.901 -6.756 21.484 1.00 16.49 C ATOM 95 NE ARG A 7 -37.285 -6.859 21.945 1.00 16.78 N ATOM 96 CZ ARG A 7 -37.786 -7.927 22.564 1.00 17.15 C ATOM 97 NH1 ARG A 7 -37.026 -8.998 22.773 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -39.052 -7.929 22.961 1.00 17.53 N ATOM 0 H ARG A 7 -37.088 -3.883 19.193 1.00 15.63 H new ATOM 0 HA ARG A 7 -35.440 -5.429 17.525 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -37.649 -6.317 19.420 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -36.316 -7.302 18.851 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -34.712 -5.770 19.994 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -36.058 -4.815 20.584 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -35.536 -7.746 21.212 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -35.274 -6.399 22.301 1.00 16.49 H new ATOM 0 HE ARG A 7 -37.904 -6.065 21.783 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -36.056 -9.004 22.459 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -37.413 -9.814 23.247 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -39.641 -7.113 22.792 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -39.437 -8.746 23.435 1.00 17.53 H new ATOM 112 N SER A 8 -38.654 -5.537 16.854 1.00 14.73 N ATOM 113 CA SER A 8 -39.614 -5.879 15.822 1.00 14.36 C ATOM 114 C SER A 8 -39.587 -4.819 14.721 1.00 13.83 C ATOM 115 O SER A 8 -40.581 -4.136 14.474 1.00 13.83 O ATOM 116 CB SER A 8 -41.011 -6.000 16.436 1.00 14.71 C ATOM 117 OG SER A 8 -41.356 -4.827 17.155 1.00 15.09 O ATOM 0 H SER A 8 -39.045 -5.008 17.634 1.00 14.73 H new ATOM 0 HA SER A 8 -39.351 -6.839 15.379 1.00 14.36 H new ATOM 0 HB2 SER A 8 -41.744 -6.176 15.649 1.00 14.71 H new ATOM 0 HB3 SER A 8 -41.045 -6.862 17.102 1.00 14.71 H new ATOM 0 HG SER A 8 -41.390 -4.065 16.540 1.00 15.09 H new ATOM 123 N THR A 9 -38.428 -4.687 14.076 1.00 13.57 N ATOM 124 CA THR A 9 -38.196 -3.646 13.082 1.00 13.24 C ATOM 125 C THR A 9 -39.193 -3.726 11.924 1.00 12.78 C ATOM 126 O THR A 9 -39.019 -4.508 10.988 1.00 12.86 O ATOM 127 CB THR A 9 -36.760 -3.733 12.526 1.00 13.31 C ATOM 128 OG1 THR A 9 -35.816 -3.762 13.608 1.00 13.75 O ATOM 129 CG2 THR A 9 -36.453 -2.552 11.617 1.00 13.07 C ATOM 0 H THR A 9 -37.626 -5.299 14.229 1.00 13.57 H new ATOM 0 HA THR A 9 -38.336 -2.691 13.588 1.00 13.24 H new ATOM 0 HB THR A 9 -36.679 -4.650 11.943 1.00 13.31 H new ATOM 0 HG1 THR A 9 -36.262 -3.494 14.438 1.00 13.75 H new ATOM 0 HG21 THR A 9 -35.434 -2.639 11.239 1.00 13.07 H new ATOM 0 HG22 THR A 9 -37.151 -2.546 10.780 1.00 13.07 H new ATOM 0 HG23 THR A 9 -36.553 -1.624 12.180 1.00 13.07 H new ATOM 137 N LYS A 10 -40.243 -2.917 12.005 1.00 12.51 N ATOM 138 CA LYS A 10 -41.240 -2.845 10.946 1.00 12.26 C ATOM 139 C LYS A 10 -40.914 -1.695 10.003 1.00 11.57 C ATOM 140 O LYS A 10 -41.447 -1.609 8.895 1.00 11.56 O ATOM 141 CB LYS A 10 -42.641 -2.671 11.539 1.00 12.85 C ATOM 142 CG LYS A 10 -43.110 -3.879 12.335 1.00 13.32 C ATOM 143 CD LYS A 10 -44.467 -3.639 12.976 1.00 13.86 C ATOM 144 CE LYS A 10 -44.957 -4.871 13.721 1.00 14.21 C ATOM 145 NZ LYS A 10 -44.008 -5.298 14.786 1.00 14.58 N1+ ATOM 0 H LYS A 10 -40.425 -2.300 12.797 1.00 12.51 H new ATOM 0 HA LYS A 10 -41.222 -3.778 10.382 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -42.648 -1.793 12.185 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -43.348 -2.479 10.732 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -43.166 -4.747 11.679 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -42.378 -4.111 13.109 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -44.401 -2.798 13.666 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -45.190 -3.365 12.208 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -45.930 -4.662 14.166 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -45.099 -5.688 13.014 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -44.538 -5.533 15.649 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -43.480 -6.135 14.465 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -43.342 -4.525 14.988 1.00 14.58 H new ATOM 159 N GLU A 11 -40.030 -0.820 10.460 1.00 11.20 N ATOM 160 CA GLU A 11 -39.541 0.287 9.652 1.00 10.71 C ATOM 161 C GLU A 11 -38.758 -0.246 8.462 1.00 9.66 C ATOM 162 O GLU A 11 -38.042 -1.242 8.582 1.00 9.26 O ATOM 163 CB GLU A 11 -38.642 1.183 10.500 1.00 11.05 C ATOM 164 CG GLU A 11 -39.343 1.772 11.711 1.00 11.92 C ATOM 165 CD GLU A 11 -38.373 2.290 12.747 1.00 12.59 C ATOM 166 OE1 GLU A 11 -38.013 3.487 12.686 1.00 13.16 O ATOM 167 OE2 GLU A 11 -37.959 1.508 13.627 1.00 12.70 O1- ATOM 0 H GLU A 11 -39.633 -0.857 11.399 1.00 11.20 H new ATOM 0 HA GLU A 11 -40.390 0.867 9.289 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -37.779 0.607 10.834 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -38.262 1.995 9.880 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -39.995 2.585 11.390 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -39.980 1.012 12.163 1.00 11.92 H new ATOM 174 N ILE A 12 -38.898 0.403 7.318 1.00 9.40 N ATOM 175 CA ILE A 12 -38.191 -0.017 6.120 1.00 8.58 C ATOM 176 C ILE A 12 -36.733 0.417 6.189 1.00 8.21 C ATOM 177 O ILE A 12 -36.350 1.454 5.643 1.00 8.57 O ATOM 178 CB ILE A 12 -38.838 0.550 4.837 1.00 8.89 C ATOM 179 CG1 ILE A 12 -40.318 0.184 4.767 1.00 9.53 C ATOM 180 CG2 ILE A 12 -38.122 0.030 3.604 1.00 8.32 C ATOM 181 CD1 ILE A 12 -40.582 -1.303 4.795 1.00 10.10 C ATOM 0 H ILE A 12 -39.494 1.221 7.194 1.00 9.40 H new ATOM 0 HA ILE A 12 -38.251 -1.104 6.075 1.00 8.58 H new ATOM 0 HB ILE A 12 -38.748 1.636 4.869 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -40.838 0.651 5.603 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -40.743 0.602 3.854 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -38.592 0.440 2.710 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -37.076 0.334 3.636 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -38.183 -1.058 3.579 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -41.656 -1.483 4.742 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -40.092 -1.776 3.944 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -40.189 -1.725 5.720 1.00 10.10 H new ATOM 193 N GLU A 13 -35.936 -0.363 6.899 1.00 7.77 N ATOM 194 CA GLU A 13 -34.519 -0.115 7.018 1.00 7.68 C ATOM 195 C GLU A 13 -33.764 -1.428 6.885 1.00 6.98 C ATOM 196 O GLU A 13 -34.327 -2.497 7.126 1.00 6.99 O ATOM 197 CB GLU A 13 -34.204 0.520 8.371 1.00 8.41 C ATOM 198 CG GLU A 13 -35.060 1.727 8.701 1.00 9.30 C ATOM 199 CD GLU A 13 -34.598 2.454 9.945 1.00 10.20 C ATOM 200 OE1 GLU A 13 -34.683 1.867 11.045 1.00 10.61 O ATOM 201 OE2 GLU A 13 -34.160 3.619 9.838 1.00 10.66 O1- ATOM 0 H GLU A 13 -36.259 -1.186 7.408 1.00 7.77 H new ATOM 0 HA GLU A 13 -34.211 0.569 6.227 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -34.335 -0.229 9.152 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -33.155 0.816 8.386 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -35.047 2.417 7.857 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -36.093 1.407 8.836 1.00 9.30 H new ATOM 208 N THR A 14 -32.504 -1.354 6.500 1.00 6.67 N ATOM 209 CA THR A 14 -31.683 -2.543 6.381 1.00 6.26 C ATOM 210 C THR A 14 -30.517 -2.493 7.357 1.00 5.40 C ATOM 211 O THR A 14 -29.849 -1.467 7.486 1.00 5.42 O ATOM 212 CB THR A 14 -31.151 -2.724 4.946 1.00 6.72 C ATOM 213 OG1 THR A 14 -30.680 -1.468 4.433 1.00 7.42 O ATOM 214 CG2 THR A 14 -32.228 -3.282 4.030 1.00 7.00 C ATOM 0 H THR A 14 -32.027 -0.484 6.265 1.00 6.67 H new ATOM 0 HA THR A 14 -32.316 -3.397 6.622 1.00 6.26 H new ATOM 0 HB THR A 14 -30.325 -3.435 4.979 1.00 6.72 H new ATOM 0 HG1 THR A 14 -30.342 -1.593 3.522 1.00 7.42 H new ATOM 0 HG21 THR A 14 -31.825 -3.399 3.024 1.00 7.00 H new ATOM 0 HG22 THR A 14 -32.558 -4.251 4.404 1.00 7.00 H new ATOM 0 HG23 THR A 14 -33.075 -2.596 4.004 1.00 7.00 H new ATOM 222 N SER A 15 -30.278 -3.598 8.047 1.00 5.02 N ATOM 223 CA SER A 15 -29.176 -3.686 8.991 1.00 4.54 C ATOM 224 C SER A 15 -27.870 -3.989 8.258 1.00 3.88 C ATOM 225 O SER A 15 -27.147 -4.927 8.593 1.00 4.02 O ATOM 226 CB SER A 15 -29.479 -4.754 10.042 1.00 5.20 C ATOM 227 OG SER A 15 -30.715 -4.483 10.686 1.00 6.06 O ATOM 0 H SER A 15 -30.835 -4.449 7.970 1.00 5.02 H new ATOM 0 HA SER A 15 -29.060 -2.728 9.497 1.00 4.54 H new ATOM 0 HB2 SER A 15 -29.516 -5.736 9.571 1.00 5.20 H new ATOM 0 HB3 SER A 15 -28.677 -4.784 10.780 1.00 5.20 H new ATOM 0 HG SER A 15 -30.895 -5.177 11.354 1.00 6.06 H new ATOM 233 N GLN A 16 -27.584 -3.176 7.253 1.00 3.65 N ATOM 234 CA GLN A 16 -26.390 -3.325 6.445 1.00 3.49 C ATOM 235 C GLN A 16 -25.311 -2.375 6.950 1.00 2.88 C ATOM 236 O GLN A 16 -25.593 -1.214 7.255 1.00 3.21 O ATOM 237 CB GLN A 16 -26.723 -3.031 4.984 1.00 4.06 C ATOM 238 CG GLN A 16 -25.546 -3.172 4.033 1.00 4.50 C ATOM 239 CD GLN A 16 -25.925 -2.858 2.598 1.00 5.43 C ATOM 240 OE1 GLN A 16 -26.828 -2.062 2.340 1.00 5.86 O ATOM 241 NE2 GLN A 16 -25.242 -3.480 1.654 1.00 6.06 N ATOM 0 H GLN A 16 -28.177 -2.393 6.976 1.00 3.65 H new ATOM 0 HA GLN A 16 -26.019 -4.347 6.520 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -27.518 -3.704 4.662 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -27.115 -2.017 4.910 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -24.744 -2.505 4.349 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -25.156 -4.188 4.089 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -24.500 -4.133 1.907 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -25.456 -3.307 0.672 1.00 6.06 H new ATOM 250 N SER A 17 -24.086 -2.875 7.053 1.00 2.48 N ATOM 251 CA SER A 17 -22.984 -2.078 7.565 1.00 2.00 C ATOM 252 C SER A 17 -22.534 -1.038 6.546 1.00 1.45 C ATOM 253 O SER A 17 -22.891 -1.114 5.365 1.00 1.99 O ATOM 254 CB SER A 17 -21.806 -2.974 7.931 1.00 2.29 C ATOM 255 OG SER A 17 -22.223 -4.071 8.729 1.00 2.91 O ATOM 0 H SER A 17 -23.833 -3.827 6.789 1.00 2.48 H new ATOM 0 HA SER A 17 -23.337 -1.560 8.457 1.00 2.00 H new ATOM 0 HB2 SER A 17 -21.330 -3.342 7.022 1.00 2.29 H new ATOM 0 HB3 SER A 17 -21.058 -2.393 8.470 1.00 2.29 H new ATOM 0 HG SER A 17 -21.448 -4.630 8.948 1.00 2.91 H new ATOM 261 N THR A 18 -21.737 -0.090 7.016 1.00 1.04 N ATOM 262 CA THR A 18 -21.220 0.987 6.185 1.00 0.58 C ATOM 263 C THR A 18 -20.520 0.473 4.940 1.00 0.63 C ATOM 264 O THR A 18 -19.915 -0.595 4.948 1.00 1.40 O ATOM 265 CB THR A 18 -20.251 1.854 6.983 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.232 1.043 7.586 1.00 1.44 O ATOM 267 CG2 THR A 18 -20.998 2.616 8.055 1.00 1.26 C ATOM 0 H THR A 18 -21.430 -0.046 7.988 1.00 1.04 H new ATOM 0 HA THR A 18 -22.079 1.578 5.868 1.00 0.58 H new ATOM 0 HB THR A 18 -19.780 2.562 6.302 1.00 0.91 H new ATOM 0 HG1 THR A 18 -18.462 1.603 7.817 1.00 1.44 H new ATOM 0 HG21 THR A 18 -20.297 3.232 8.619 1.00 1.26 H new ATOM 0 HG22 THR A 18 -21.750 3.254 7.591 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.486 1.912 8.729 1.00 1.26 H new ATOM 275 N THR A 19 -20.608 1.236 3.870 1.00 0.61 N ATOM 276 CA THR A 19 -19.965 0.858 2.628 1.00 0.56 C ATOM 277 C THR A 19 -19.255 2.049 2.013 1.00 0.64 C ATOM 278 O THR A 19 -19.700 3.190 2.146 1.00 1.25 O ATOM 279 CB THR A 19 -20.974 0.280 1.620 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.818 -0.683 2.270 1.00 0.66 O ATOM 281 CG2 THR A 19 -20.245 -0.389 0.464 1.00 0.66 C ATOM 0 H THR A 19 -21.117 2.119 3.835 1.00 0.61 H new ATOM 0 HA THR A 19 -19.235 0.083 2.863 1.00 0.56 H new ATOM 0 HB THR A 19 -21.583 1.097 1.233 1.00 0.63 H new ATOM 0 HG1 THR A 19 -22.459 -1.046 1.623 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.973 -0.793 -0.240 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.617 0.344 -0.043 1.00 0.66 H new ATOM 0 HG23 THR A 19 -19.622 -1.198 0.846 1.00 0.66 H new ATOM 289 N ALA A 20 -18.134 1.774 1.365 1.00 0.26 N ATOM 290 CA ALA A 20 -17.334 2.815 0.762 1.00 0.22 C ATOM 291 C ALA A 20 -17.888 3.227 -0.572 1.00 0.24 C ATOM 292 O ALA A 20 -18.757 2.573 -1.149 1.00 0.39 O ATOM 293 CB ALA A 20 -15.914 2.373 0.584 1.00 0.31 C ATOM 0 H ALA A 20 -17.761 0.832 1.246 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.363 3.668 1.440 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.337 3.178 0.128 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.486 2.125 1.555 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.884 1.495 -0.061 1.00 0.31 H new ATOM 299 N ASN A 21 -17.335 4.300 -1.054 1.00 0.23 N ATOM 300 CA ASN A 21 -17.706 4.891 -2.308 1.00 0.24 C ATOM 301 C ASN A 21 -16.574 4.635 -3.263 1.00 0.25 C ATOM 302 O ASN A 21 -15.441 4.663 -2.857 1.00 0.26 O ATOM 303 CB ASN A 21 -17.880 6.380 -2.063 1.00 0.27 C ATOM 304 CG ASN A 21 -18.934 6.637 -0.996 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.082 6.953 -1.311 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.564 6.456 0.274 1.00 0.35 N ATOM 0 H ASN A 21 -16.591 4.804 -0.572 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.629 4.482 -2.719 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.930 6.815 -1.753 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.169 6.874 -2.991 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.243 6.579 1.025 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.603 6.194 0.493 1.00 0.35 H new ATOM 313 N GLN A 22 -16.843 4.366 -4.514 1.00 0.34 N ATOM 314 CA GLN A 22 -15.759 4.076 -5.448 1.00 0.40 C ATOM 315 C GLN A 22 -14.916 5.308 -5.707 1.00 0.42 C ATOM 316 O GLN A 22 -13.821 5.214 -6.237 1.00 0.48 O ATOM 317 CB GLN A 22 -16.311 3.531 -6.749 1.00 0.51 C ATOM 318 CG GLN A 22 -16.279 2.018 -6.852 1.00 0.51 C ATOM 319 CD GLN A 22 -16.702 1.351 -5.573 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.742 1.193 -4.695 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.868 1.016 -5.367 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.780 4.339 -4.915 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.119 3.319 -4.995 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.340 3.870 -6.864 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.742 3.953 -7.577 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -16.935 1.697 -7.661 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.271 1.695 -7.112 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.576 1.163 -6.087 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.127 0.592 -4.476 1.00 0.38 H new ATOM 330 N SER A 23 -15.412 6.454 -5.300 1.00 0.41 N ATOM 331 CA SER A 23 -14.617 7.647 -5.320 1.00 0.47 C ATOM 332 C SER A 23 -13.707 7.638 -4.114 1.00 0.41 C ATOM 333 O SER A 23 -12.812 8.472 -3.968 1.00 0.49 O ATOM 334 CB SER A 23 -15.513 8.885 -5.340 1.00 0.52 C ATOM 335 OG SER A 23 -16.523 8.792 -4.348 1.00 1.36 O ATOM 0 H SER A 23 -16.363 6.579 -4.952 1.00 0.41 H new ATOM 0 HA SER A 23 -14.008 7.679 -6.224 1.00 0.47 H new ATOM 0 HB2 SER A 23 -14.911 9.778 -5.170 1.00 0.52 H new ATOM 0 HB3 SER A 23 -15.971 8.992 -6.323 1.00 0.52 H new ATOM 0 HG SER A 23 -17.084 9.595 -4.376 1.00 1.36 H new ATOM 341 N ASP A 24 -13.956 6.669 -3.248 1.00 0.31 N ATOM 342 CA ASP A 24 -13.150 6.453 -2.091 1.00 0.34 C ATOM 343 C ASP A 24 -12.184 5.328 -2.385 1.00 0.35 C ATOM 344 O ASP A 24 -10.982 5.436 -2.157 1.00 0.53 O ATOM 345 CB ASP A 24 -13.996 6.064 -0.882 1.00 0.36 C ATOM 346 CG ASP A 24 -14.983 7.130 -0.452 1.00 0.86 C ATOM 347 OD1 ASP A 24 -15.937 6.816 0.290 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.807 8.296 -0.863 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.732 6.014 -3.342 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.625 7.379 -1.858 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.542 5.149 -1.113 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.334 5.838 -0.046 1.00 0.36 H new ATOM 353 N VAL A 25 -12.733 4.248 -2.943 1.00 0.22 N ATOM 354 CA VAL A 25 -12.013 3.005 -3.024 1.00 0.20 C ATOM 355 C VAL A 25 -11.252 2.831 -4.325 1.00 0.22 C ATOM 356 O VAL A 25 -10.135 2.335 -4.326 1.00 0.23 O ATOM 357 CB VAL A 25 -12.907 1.783 -2.770 1.00 0.30 C ATOM 358 CG1 VAL A 25 -14.281 2.196 -2.378 1.00 1.01 C ATOM 359 CG2 VAL A 25 -12.900 0.786 -3.918 1.00 0.85 C ATOM 0 H VAL A 25 -13.672 4.222 -3.341 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.279 3.064 -2.221 1.00 0.20 H new ATOM 0 HB VAL A 25 -12.474 1.246 -1.926 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -14.892 1.310 -2.205 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -14.236 2.790 -1.465 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -14.724 2.791 -3.177 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -13.551 -0.053 -3.675 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.259 1.273 -4.825 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -11.885 0.423 -4.078 1.00 0.85 H new ATOM 369 N ASP A 26 -11.864 3.219 -5.423 1.00 0.25 N ATOM 370 CA ASP A 26 -11.278 3.009 -6.739 1.00 0.27 C ATOM 371 C ASP A 26 -9.931 3.714 -6.852 1.00 0.23 C ATOM 372 O ASP A 26 -8.942 3.088 -7.199 1.00 0.22 O ATOM 373 CB ASP A 26 -12.223 3.474 -7.848 1.00 0.32 C ATOM 374 CG ASP A 26 -11.618 3.338 -9.230 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.609 2.213 -9.764 1.00 0.51 O ATOM 376 OD2 ASP A 26 -11.147 4.355 -9.785 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.772 3.684 -5.435 1.00 0.25 H new ATOM 0 HA ASP A 26 -11.117 1.938 -6.862 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -13.144 2.894 -7.801 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.493 4.516 -7.676 1.00 0.32 H new ATOM 381 N ASP A 27 -9.890 5.000 -6.513 1.00 0.22 N ATOM 382 CA ASP A 27 -8.645 5.769 -6.542 1.00 0.21 C ATOM 383 C ASP A 27 -7.698 5.225 -5.517 1.00 0.16 C ATOM 384 O ASP A 27 -6.494 5.185 -5.742 1.00 0.16 O ATOM 385 CB ASP A 27 -8.862 7.254 -6.242 1.00 0.24 C ATOM 386 CG ASP A 27 -9.379 8.031 -7.433 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.604 8.023 -7.671 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.561 8.660 -8.140 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.706 5.534 -6.214 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.242 5.677 -7.550 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.568 7.353 -5.417 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.921 7.693 -5.910 1.00 0.24 H new ATOM 393 N PHE A 28 -8.254 4.811 -4.386 1.00 0.13 N ATOM 394 CA PHE A 28 -7.464 4.167 -3.365 1.00 0.10 C ATOM 395 C PHE A 28 -6.739 3.018 -3.994 1.00 0.10 C ATOM 396 O PHE A 28 -5.530 3.024 -4.134 1.00 0.09 O ATOM 397 CB PHE A 28 -8.323 3.619 -2.220 1.00 0.09 C ATOM 398 CG PHE A 28 -7.523 2.787 -1.276 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.809 3.388 -0.271 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.451 1.413 -1.416 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.034 2.647 0.578 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.679 0.667 -0.567 1.00 0.10 C ATOM 403 CZ PHE A 28 -5.964 1.277 0.428 1.00 0.08 C ATOM 0 H PHE A 28 -9.244 4.912 -4.160 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.782 4.909 -2.949 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.778 4.448 -1.678 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.137 3.022 -2.630 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.859 4.460 -0.148 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.008 0.925 -2.202 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.477 3.134 1.365 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -6.634 -0.406 -0.683 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.348 0.689 1.092 1.00 0.08 H new ATOM 413 N ASN A 29 -7.539 2.079 -4.438 1.00 0.12 N ATOM 414 CA ASN A 29 -7.073 0.822 -4.993 1.00 0.13 C ATOM 415 C ASN A 29 -6.209 1.045 -6.198 1.00 0.13 C ATOM 416 O ASN A 29 -5.327 0.251 -6.502 1.00 0.14 O ATOM 417 CB ASN A 29 -8.281 -0.019 -5.389 1.00 0.19 C ATOM 418 CG ASN A 29 -8.789 -0.877 -4.256 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.415 -2.040 -4.128 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.636 -0.304 -3.422 1.00 0.23 N ATOM 0 H ASN A 29 -8.555 2.165 -4.425 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.477 0.308 -4.238 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -9.081 0.639 -5.728 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -8.014 -0.657 -6.231 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -10.008 -0.830 -2.631 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.919 0.665 -3.568 1.00 0.23 H new ATOM 427 N THR A 30 -6.454 2.138 -6.864 1.00 0.13 N ATOM 428 CA THR A 30 -5.767 2.440 -8.075 1.00 0.14 C ATOM 429 C THR A 30 -4.400 3.019 -7.790 1.00 0.12 C ATOM 430 O THR A 30 -3.401 2.599 -8.367 1.00 0.12 O ATOM 431 CB THR A 30 -6.569 3.434 -8.900 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.733 2.806 -9.451 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.717 4.025 -9.994 1.00 0.17 C ATOM 0 H THR A 30 -7.136 2.840 -6.578 1.00 0.13 H new ATOM 0 HA THR A 30 -5.648 1.511 -8.633 1.00 0.14 H new ATOM 0 HB THR A 30 -6.893 4.242 -8.244 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.345 2.559 -8.727 1.00 0.20 H new ATOM 0 HG21 THR A 30 -6.309 4.734 -10.573 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.864 4.540 -9.553 1.00 0.17 H new ATOM 0 HG23 THR A 30 -5.361 3.229 -10.648 1.00 0.17 H new ATOM 441 N LEU A 31 -4.369 3.972 -6.881 1.00 0.12 N ATOM 442 CA LEU A 31 -3.144 4.623 -6.512 1.00 0.12 C ATOM 443 C LEU A 31 -2.316 3.621 -5.760 1.00 0.11 C ATOM 444 O LEU A 31 -1.104 3.587 -5.845 1.00 0.12 O ATOM 445 CB LEU A 31 -3.460 5.837 -5.650 1.00 0.14 C ATOM 446 CG LEU A 31 -2.283 6.773 -5.392 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.585 7.129 -6.696 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.773 8.024 -4.704 1.00 0.53 C ATOM 0 H LEU A 31 -5.192 4.311 -6.383 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.594 4.972 -7.386 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.258 6.405 -6.129 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.846 5.491 -4.691 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.564 6.266 -4.748 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.749 7.797 -6.490 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.215 6.220 -7.171 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.290 7.625 -7.363 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.931 8.692 -4.520 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.503 8.526 -5.339 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.239 7.759 -3.755 1.00 0.53 H new ATOM 460 N TYR A 32 -3.037 2.766 -5.083 1.00 0.09 N ATOM 461 CA TYR A 32 -2.500 1.642 -4.352 1.00 0.07 C ATOM 462 C TYR A 32 -1.856 0.657 -5.300 1.00 0.08 C ATOM 463 O TYR A 32 -0.734 0.210 -5.085 1.00 0.08 O ATOM 464 CB TYR A 32 -3.673 1.020 -3.650 1.00 0.07 C ATOM 465 CG TYR A 32 -3.461 -0.347 -3.085 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.948 -0.501 -1.811 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.727 -1.471 -3.830 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.705 -1.748 -1.293 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.495 -2.727 -3.321 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.159 -2.883 -2.028 1.00 0.08 C ATOM 471 OH TYR A 32 -2.734 -4.118 -1.542 1.00 0.15 O ATOM 0 H TYR A 32 -4.053 2.834 -5.022 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.729 1.947 -3.645 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.976 1.682 -2.839 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.506 0.974 -4.352 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.735 0.374 -1.214 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.124 -1.366 -4.829 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.184 -1.867 -0.354 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.583 -3.592 -3.962 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.094 -4.833 -2.107 1.00 0.15 H new ATOM 481 N ASP A 33 -2.581 0.352 -6.364 1.00 0.10 N ATOM 482 CA ASP A 33 -2.103 -0.543 -7.401 1.00 0.11 C ATOM 483 C ASP A 33 -0.920 0.081 -8.086 1.00 0.09 C ATOM 484 O ASP A 33 -0.098 -0.583 -8.714 1.00 0.11 O ATOM 485 CB ASP A 33 -3.185 -0.782 -8.443 1.00 0.16 C ATOM 486 CG ASP A 33 -3.730 -2.194 -8.399 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.815 -2.407 -7.816 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.072 -3.100 -8.947 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.518 0.719 -6.532 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.828 -1.491 -6.939 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -4.000 -0.076 -8.284 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.780 -0.583 -9.435 1.00 0.16 H new ATOM 493 N ALA A 34 -0.879 1.383 -7.947 1.00 0.08 N ATOM 494 CA ALA A 34 0.101 2.218 -8.582 1.00 0.09 C ATOM 495 C ALA A 34 1.418 2.197 -7.835 1.00 0.08 C ATOM 496 O ALA A 34 2.485 2.285 -8.445 1.00 0.09 O ATOM 497 CB ALA A 34 -0.436 3.613 -8.633 1.00 0.10 C ATOM 0 H ALA A 34 -1.545 1.901 -7.374 1.00 0.08 H new ATOM 0 HA ALA A 34 0.293 1.842 -9.587 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.293 4.266 -9.112 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.364 3.625 -9.204 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.629 3.966 -7.620 1.00 0.10 H new ATOM 503 N PHE A 35 1.341 2.078 -6.505 1.00 0.06 N ATOM 504 CA PHE A 35 2.536 1.977 -5.676 1.00 0.06 C ATOM 505 C PHE A 35 3.301 0.766 -6.075 1.00 0.06 C ATOM 506 O PHE A 35 4.475 0.640 -5.806 1.00 0.08 O ATOM 507 CB PHE A 35 2.185 1.811 -4.220 1.00 0.05 C ATOM 508 CG PHE A 35 1.778 3.056 -3.541 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.641 3.702 -2.687 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.532 3.574 -3.757 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.261 4.861 -2.062 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.136 4.732 -3.143 1.00 0.06 C ATOM 513 CZ PHE A 35 1.006 5.381 -2.292 1.00 0.06 C ATOM 0 H PHE A 35 0.464 2.050 -5.985 1.00 0.06 H new ATOM 0 HA PHE A 35 3.112 2.892 -5.814 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.376 1.085 -4.135 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.045 1.392 -3.698 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.624 3.293 -2.508 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.150 3.063 -4.421 1.00 0.06 H new ATOM 0 HE1 PHE A 35 2.942 5.365 -1.392 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.850 5.134 -3.324 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.704 6.297 -1.806 1.00 0.06 H new ATOM 523 N TYR A 36 2.594 -0.141 -6.675 1.00 0.06 N ATOM 524 CA TYR A 36 3.183 -1.336 -7.167 1.00 0.06 C ATOM 525 C TYR A 36 3.552 -1.145 -8.603 1.00 0.08 C ATOM 526 O TYR A 36 2.747 -0.724 -9.430 1.00 0.11 O ATOM 527 CB TYR A 36 2.238 -2.506 -7.029 1.00 0.07 C ATOM 528 CG TYR A 36 1.798 -2.785 -5.623 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.654 -3.398 -4.730 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.516 -2.477 -5.205 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.239 -3.704 -3.449 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.093 -2.766 -3.927 1.00 0.08 C ATOM 533 CZ TYR A 36 0.954 -3.385 -3.053 1.00 0.07 C ATOM 534 OH TYR A 36 0.525 -3.697 -1.786 1.00 0.11 O ATOM 0 H TYR A 36 1.589 -0.068 -6.835 1.00 0.06 H new ATOM 0 HA TYR A 36 4.075 -1.555 -6.580 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.356 -2.319 -7.642 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.722 -3.397 -7.429 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.660 -3.641 -5.037 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.166 -2.001 -5.894 1.00 0.07 H new ATOM 0 HE1 TYR A 36 2.915 -4.190 -2.761 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.908 -2.508 -3.614 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.449 -3.809 -1.789 1.00 0.11 H new ATOM 544 N THR A 37 4.789 -1.438 -8.869 1.00 0.08 N ATOM 545 CA THR A 37 5.334 -1.312 -10.213 1.00 0.11 C ATOM 546 C THR A 37 4.610 -2.259 -11.166 1.00 0.14 C ATOM 547 O THR A 37 4.551 -2.031 -12.376 1.00 0.17 O ATOM 548 CB THR A 37 6.844 -1.617 -10.245 1.00 0.12 C ATOM 549 OG1 THR A 37 7.067 -3.031 -10.284 1.00 0.14 O ATOM 550 CG2 THR A 37 7.514 -1.068 -9.014 1.00 0.11 C ATOM 0 H THR A 37 5.457 -1.771 -8.174 1.00 0.08 H new ATOM 0 HA THR A 37 5.184 -0.280 -10.530 1.00 0.11 H new ATOM 0 HB THR A 37 7.261 -1.150 -11.137 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.030 -3.210 -10.306 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.580 -1.291 -9.050 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.370 0.012 -8.972 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.077 -1.527 -8.127 1.00 0.11 H new ATOM 558 N ASN A 38 4.050 -3.315 -10.593 1.00 0.15 N ATOM 559 CA ASN A 38 3.348 -4.339 -11.340 1.00 0.26 C ATOM 560 C ASN A 38 2.102 -4.742 -10.564 1.00 0.29 C ATOM 561 O ASN A 38 2.052 -4.585 -9.345 1.00 0.71 O ATOM 562 CB ASN A 38 4.274 -5.547 -11.554 1.00 0.38 C ATOM 563 CG ASN A 38 4.669 -6.253 -10.261 1.00 0.65 C ATOM 564 OD1 ASN A 38 4.664 -5.672 -9.173 1.00 1.52 O ATOM 565 ND2 ASN A 38 5.044 -7.515 -10.377 1.00 0.99 N ATOM 0 H ASN A 38 4.073 -3.483 -9.587 1.00 0.15 H new ATOM 0 HA ASN A 38 3.052 -3.959 -12.318 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.778 -6.262 -12.211 1.00 0.38 H new ATOM 0 HB3 ASN A 38 5.177 -5.215 -12.067 1.00 0.38 H new ATOM 0 HD21 ASN A 38 5.340 -8.037 -9.552 1.00 0.99 H new ATOM 0 HD22 ASN A 38 5.037 -7.967 -11.291 1.00 0.99 H new ATOM 572 N SER A 39 1.096 -5.258 -11.256 1.00 0.33 N ATOM 573 CA SER A 39 -0.157 -5.613 -10.601 1.00 0.28 C ATOM 574 C SER A 39 -0.014 -6.908 -9.815 1.00 0.22 C ATOM 575 O SER A 39 -0.945 -7.337 -9.129 1.00 0.24 O ATOM 576 CB SER A 39 -1.290 -5.728 -11.611 1.00 0.35 C ATOM 577 OG SER A 39 -0.895 -6.487 -12.744 1.00 0.36 O ATOM 0 H SER A 39 1.120 -5.439 -12.260 1.00 0.33 H new ATOM 0 HA SER A 39 -0.402 -4.813 -9.903 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.154 -6.196 -11.140 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.600 -4.732 -11.928 1.00 0.35 H new ATOM 0 HG SER A 39 -1.642 -6.546 -13.375 1.00 0.36 H new ATOM 583 N ASN A 40 1.153 -7.530 -9.918 1.00 0.20 N ATOM 584 CA ASN A 40 1.481 -8.660 -9.064 1.00 0.20 C ATOM 585 C ASN A 40 1.740 -8.146 -7.661 1.00 0.16 C ATOM 586 O ASN A 40 1.691 -8.893 -6.683 1.00 0.18 O ATOM 587 CB ASN A 40 2.707 -9.425 -9.564 1.00 0.26 C ATOM 588 CG ASN A 40 2.602 -9.879 -11.013 1.00 0.43 C ATOM 589 OD1 ASN A 40 1.983 -9.223 -11.847 1.00 1.09 O ATOM 590 ND2 ASN A 40 3.209 -11.013 -11.322 1.00 1.15 N ATOM 0 H ASN A 40 1.884 -7.272 -10.581 1.00 0.20 H new ATOM 0 HA ASN A 40 0.640 -9.353 -9.076 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.588 -8.792 -9.455 1.00 0.26 H new ATOM 0 HB3 ASN A 40 2.862 -10.298 -8.930 1.00 0.26 H new ATOM 0 HD21 ASN A 40 3.172 -11.368 -12.278 1.00 1.15 H new ATOM 0 HD22 ASN A 40 3.714 -11.533 -10.605 1.00 1.15 H new ATOM 597 N LYS A 41 1.988 -6.826 -7.593 1.00 0.13 N ATOM 598 CA LYS A 41 2.180 -6.108 -6.351 1.00 0.11 C ATOM 599 C LYS A 41 3.269 -6.747 -5.532 1.00 0.11 C ATOM 600 O LYS A 41 3.198 -6.850 -4.312 1.00 0.12 O ATOM 601 CB LYS A 41 0.844 -6.010 -5.655 1.00 0.11 C ATOM 602 CG LYS A 41 -0.207 -5.514 -6.616 1.00 0.13 C ATOM 603 CD LYS A 41 -1.584 -5.708 -6.069 1.00 0.17 C ATOM 604 CE LYS A 41 -2.259 -4.390 -5.876 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.739 -4.528 -5.807 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.059 -6.233 -8.420 1.00 0.13 H new ATOM 0 HA LYS A 41 2.530 -5.091 -6.526 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.557 -6.986 -5.263 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.918 -5.333 -4.804 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.042 -4.457 -6.823 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.113 -6.043 -7.564 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.169 -6.327 -6.750 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.533 -6.240 -5.119 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.895 -3.927 -4.959 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.995 -3.723 -6.697 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.128 -3.788 -5.189 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.142 -4.430 -6.761 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -3.983 -5.463 -5.423 1.00 0.66 H new ATOM 619 N THR A 42 4.300 -7.131 -6.259 1.00 0.11 N ATOM 620 CA THR A 42 5.469 -7.767 -5.706 1.00 0.12 C ATOM 621 C THR A 42 6.636 -6.798 -5.720 1.00 0.10 C ATOM 622 O THR A 42 7.755 -7.121 -5.323 1.00 0.13 O ATOM 623 CB THR A 42 5.803 -9.007 -6.533 1.00 0.16 C ATOM 624 OG1 THR A 42 5.945 -8.653 -7.918 1.00 0.18 O ATOM 625 CG2 THR A 42 4.690 -10.019 -6.374 1.00 0.21 C ATOM 0 H THR A 42 4.345 -7.005 -7.270 1.00 0.11 H new ATOM 0 HA THR A 42 5.274 -8.063 -4.675 1.00 0.12 H new ATOM 0 HB THR A 42 6.743 -9.435 -6.184 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.161 -9.454 -8.440 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.920 -10.908 -6.961 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.595 -10.293 -5.323 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.752 -9.586 -6.723 1.00 0.21 H new ATOM 633 N ALA A 43 6.334 -5.589 -6.160 1.00 0.09 N ATOM 634 CA ALA A 43 7.328 -4.559 -6.361 1.00 0.09 C ATOM 635 C ALA A 43 6.668 -3.200 -6.284 1.00 0.07 C ATOM 636 O ALA A 43 5.505 -3.052 -6.642 1.00 0.09 O ATOM 637 CB ALA A 43 7.997 -4.743 -7.702 1.00 0.10 C ATOM 0 H ALA A 43 5.384 -5.296 -6.388 1.00 0.09 H new ATOM 0 HA ALA A 43 8.087 -4.630 -5.582 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.745 -3.963 -7.846 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.480 -5.719 -7.737 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.250 -4.680 -8.493 1.00 0.10 H new ATOM 643 N LEU A 44 7.407 -2.217 -5.809 1.00 0.06 N ATOM 644 CA LEU A 44 6.851 -0.916 -5.539 1.00 0.06 C ATOM 645 C LEU A 44 7.583 0.236 -6.207 1.00 0.08 C ATOM 646 O LEU A 44 8.812 0.279 -6.268 1.00 0.09 O ATOM 647 CB LEU A 44 6.831 -0.719 -4.053 1.00 0.06 C ATOM 648 CG LEU A 44 5.817 -1.587 -3.359 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.476 -2.486 -2.353 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.844 -0.713 -2.672 1.00 0.05 C ATOM 0 H LEU A 44 8.402 -2.301 -5.602 1.00 0.06 H new ATOM 0 HA LEU A 44 5.848 -0.900 -5.966 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.821 -0.933 -3.650 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.617 0.327 -3.833 1.00 0.06 H new ATOM 0 HG LEU A 44 5.318 -2.213 -4.099 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.720 -3.103 -1.866 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.199 -3.128 -2.857 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.988 -1.881 -1.605 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.100 -1.326 -2.163 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.364 -0.093 -1.942 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.349 -0.075 -3.403 1.00 0.05 H new ATOM 662 N LYS A 45 6.777 1.163 -6.694 1.00 0.10 N ATOM 663 CA LYS A 45 7.232 2.379 -7.305 1.00 0.12 C ATOM 664 C LYS A 45 7.426 3.412 -6.244 1.00 0.12 C ATOM 665 O LYS A 45 6.562 3.636 -5.402 1.00 0.14 O ATOM 666 CB LYS A 45 6.215 2.903 -8.301 1.00 0.15 C ATOM 667 CG LYS A 45 6.500 2.535 -9.740 1.00 0.26 C ATOM 668 CD LYS A 45 7.827 3.096 -10.222 1.00 1.23 C ATOM 669 CE LYS A 45 7.854 3.244 -11.739 1.00 1.55 C ATOM 670 NZ LYS A 45 7.468 1.991 -12.436 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.761 1.079 -6.670 1.00 0.10 H new ATOM 0 HA LYS A 45 8.166 2.172 -7.827 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.230 2.522 -8.030 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.171 3.989 -8.219 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.508 1.450 -9.841 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.697 2.909 -10.375 1.00 0.26 H new ATOM 0 HD2 LYS A 45 8.003 4.066 -9.758 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.637 2.439 -9.905 1.00 1.23 H new ATOM 0 HE2 LYS A 45 7.177 4.045 -12.035 1.00 1.55 H new ATOM 0 HE3 LYS A 45 8.855 3.539 -12.055 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 7.887 1.980 -13.388 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 7.815 1.172 -11.896 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 6.432 1.941 -12.513 1.00 1.95 H new ATOM 684 N ASN A 46 8.527 4.074 -6.340 1.00 0.15 N ATOM 685 CA ASN A 46 8.980 4.942 -5.266 1.00 0.15 C ATOM 686 C ASN A 46 8.387 6.333 -5.382 1.00 0.14 C ATOM 687 O ASN A 46 8.247 7.047 -4.389 1.00 0.17 O ATOM 688 CB ASN A 46 10.489 4.985 -5.236 1.00 0.22 C ATOM 689 CG ASN A 46 11.011 3.620 -4.977 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.003 2.770 -5.856 1.00 1.78 O ATOM 691 ND2 ASN A 46 11.447 3.393 -3.764 1.00 0.54 N ATOM 0 H ASN A 46 9.146 4.042 -7.150 1.00 0.15 H new ATOM 0 HA ASN A 46 8.628 4.528 -4.321 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.873 5.360 -6.185 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.830 5.671 -4.460 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.803 2.470 -3.514 1.00 0.54 H new ATOM 0 HD22 ASN A 46 11.431 4.139 -3.068 1.00 0.54 H new ATOM 698 N SER A 47 8.025 6.705 -6.600 1.00 0.14 N ATOM 699 CA SER A 47 7.342 7.962 -6.846 1.00 0.16 C ATOM 700 C SER A 47 5.972 7.950 -6.170 1.00 0.13 C ATOM 701 O SER A 47 5.466 8.986 -5.738 1.00 0.17 O ATOM 702 CB SER A 47 7.197 8.187 -8.357 1.00 0.21 C ATOM 703 OG SER A 47 6.526 9.402 -8.641 1.00 1.32 O ATOM 0 H SER A 47 8.195 6.149 -7.438 1.00 0.14 H new ATOM 0 HA SER A 47 7.928 8.780 -6.427 1.00 0.16 H new ATOM 0 HB2 SER A 47 8.184 8.199 -8.820 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.648 7.355 -8.798 1.00 0.21 H new ATOM 0 HG SER A 47 6.452 9.516 -9.612 1.00 1.32 H new ATOM 709 N GLN A 48 5.394 6.760 -6.042 1.00 0.10 N ATOM 710 CA GLN A 48 4.090 6.598 -5.443 1.00 0.10 C ATOM 711 C GLN A 48 4.142 6.833 -3.948 1.00 0.09 C ATOM 712 O GLN A 48 3.146 7.197 -3.350 1.00 0.10 O ATOM 713 CB GLN A 48 3.587 5.201 -5.732 1.00 0.13 C ATOM 714 CG GLN A 48 3.571 4.861 -7.212 1.00 0.15 C ATOM 715 CD GLN A 48 2.600 5.711 -8.011 1.00 0.27 C ATOM 716 OE1 GLN A 48 1.498 6.104 -7.392 1.00 0.82 O flip ATOM 717 NE2 GLN A 48 2.833 5.998 -9.183 1.00 0.49 N flip ATOM 0 H GLN A 48 5.822 5.888 -6.352 1.00 0.10 H new ATOM 0 HA GLN A 48 3.411 7.335 -5.871 1.00 0.10 H new ATOM 0 HB2 GLN A 48 4.215 4.481 -5.208 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.579 5.095 -5.331 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.574 4.988 -7.618 1.00 0.15 H new ATOM 0 HG3 GLN A 48 3.309 3.810 -7.334 1.00 0.15 H new ATOM 0 HE21 GLN A 48 3.694 5.676 -9.625 1.00 0.49 H new ATOM 0 HE22 GLN A 48 2.165 6.558 -9.713 1.00 0.49 H new ATOM 726 N PHE A 49 5.313 6.643 -3.352 1.00 0.09 N ATOM 727 CA PHE A 49 5.473 6.791 -1.910 1.00 0.09 C ATOM 728 C PHE A 49 5.030 8.170 -1.434 1.00 0.11 C ATOM 729 O PHE A 49 4.656 8.345 -0.276 1.00 0.13 O ATOM 730 CB PHE A 49 6.921 6.585 -1.481 1.00 0.09 C ATOM 731 CG PHE A 49 7.483 5.214 -1.699 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.681 4.811 -1.140 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.791 4.330 -2.490 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.173 3.539 -1.380 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.268 3.070 -2.730 1.00 0.11 C ATOM 736 CZ PHE A 49 8.582 2.692 -2.026 1.00 0.07 C ATOM 0 H PHE A 49 6.168 6.386 -3.846 1.00 0.09 H new ATOM 0 HA PHE A 49 4.843 6.026 -1.457 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.543 7.301 -2.018 1.00 0.09 H new ATOM 0 HB3 PHE A 49 7.002 6.825 -0.421 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.237 5.492 -0.512 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.853 4.635 -2.931 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.139 3.282 -0.970 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.750 2.379 -3.378 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.975 1.689 -2.103 1.00 0.07 H new ATOM 746 N ASP A 50 5.069 9.143 -2.334 1.00 0.11 N ATOM 747 CA ASP A 50 4.688 10.509 -2.002 1.00 0.15 C ATOM 748 C ASP A 50 3.179 10.588 -1.840 1.00 0.15 C ATOM 749 O ASP A 50 2.643 11.493 -1.207 1.00 0.20 O ATOM 750 CB ASP A 50 5.153 11.461 -3.102 1.00 0.19 C ATOM 751 CG ASP A 50 4.988 12.919 -2.726 1.00 0.29 C ATOM 752 OD1 ASP A 50 4.128 13.599 -3.324 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.700 13.387 -1.814 1.00 0.36 O1- ATOM 0 H ASP A 50 5.361 9.011 -3.302 1.00 0.11 H new ATOM 0 HA ASP A 50 5.163 10.801 -1.065 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.201 11.265 -3.326 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.589 11.259 -4.013 1.00 0.19 H new ATOM 758 N LYS A 51 2.518 9.600 -2.413 1.00 0.11 N ATOM 759 CA LYS A 51 1.071 9.465 -2.367 1.00 0.11 C ATOM 760 C LYS A 51 0.668 8.484 -1.294 1.00 0.10 C ATOM 761 O LYS A 51 -0.470 8.073 -1.247 1.00 0.11 O ATOM 762 CB LYS A 51 0.556 8.930 -3.682 1.00 0.13 C ATOM 763 CG LYS A 51 1.461 9.216 -4.838 1.00 0.14 C ATOM 764 CD LYS A 51 0.762 10.055 -5.857 1.00 0.49 C ATOM 765 CE LYS A 51 1.690 10.445 -6.987 1.00 0.45 C ATOM 766 NZ LYS A 51 1.021 11.321 -7.985 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.979 8.854 -2.934 1.00 0.11 H new ATOM 0 HA LYS A 51 0.653 10.450 -2.160 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.417 7.852 -3.597 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.424 9.363 -3.882 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.356 9.730 -4.488 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.788 8.280 -5.291 1.00 0.14 H new ATOM 0 HD2 LYS A 51 -0.091 9.507 -6.258 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.368 10.953 -5.382 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.560 10.960 -6.579 1.00 0.45 H new ATOM 0 HE3 LYS A 51 2.055 9.545 -7.482 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 1.693 11.563 -8.740 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 0.206 10.821 -8.394 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 0.695 12.192 -7.519 1.00 1.47 H new ATOM 780 N LEU A 52 1.602 8.037 -0.488 1.00 0.09 N ATOM 781 CA LEU A 52 1.262 7.100 0.569 1.00 0.08 C ATOM 782 C LEU A 52 0.350 7.750 1.606 1.00 0.09 C ATOM 783 O LEU A 52 -0.583 7.120 2.098 1.00 0.09 O ATOM 784 CB LEU A 52 2.511 6.540 1.225 1.00 0.08 C ATOM 785 CG LEU A 52 2.368 5.144 1.802 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.474 5.203 3.295 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.068 4.472 1.374 1.00 0.08 C ATOM 0 H LEU A 52 2.587 8.298 -0.537 1.00 0.09 H new ATOM 0 HA LEU A 52 0.719 6.271 0.115 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.315 6.531 0.489 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.817 7.216 2.023 1.00 0.08 H new ATOM 0 HG LEU A 52 3.179 4.532 1.406 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.371 4.199 3.707 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.445 5.612 3.575 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.684 5.841 3.691 1.00 0.07 H new ATOM 0 HD21 LEU A 52 1.012 3.476 1.812 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.221 5.067 1.716 1.00 0.08 H new ATOM 0 HD23 LEU A 52 1.040 4.392 0.287 1.00 0.08 H new ATOM 799 N SER A 53 0.601 9.012 1.925 1.00 0.10 N ATOM 800 CA SER A 53 -0.308 9.756 2.785 1.00 0.11 C ATOM 801 C SER A 53 -1.597 10.055 2.019 1.00 0.11 C ATOM 802 O SER A 53 -2.635 10.360 2.600 1.00 0.13 O ATOM 803 CB SER A 53 0.352 11.047 3.276 1.00 0.14 C ATOM 804 OG SER A 53 1.543 10.762 3.996 1.00 1.25 O ATOM 0 H SER A 53 1.416 9.537 1.606 1.00 0.10 H new ATOM 0 HA SER A 53 -0.550 9.156 3.662 1.00 0.11 H new ATOM 0 HB2 SER A 53 0.580 11.690 2.426 1.00 0.14 H new ATOM 0 HB3 SER A 53 -0.341 11.596 3.913 1.00 0.14 H new ATOM 0 HG SER A 53 1.950 11.600 4.300 1.00 1.25 H new ATOM 810 N GLN A 54 -1.509 9.936 0.701 1.00 0.10 N ATOM 811 CA GLN A 54 -2.640 10.068 -0.186 1.00 0.11 C ATOM 812 C GLN A 54 -3.430 8.766 -0.219 1.00 0.09 C ATOM 813 O GLN A 54 -4.645 8.764 -0.232 1.00 0.10 O ATOM 814 CB GLN A 54 -2.132 10.421 -1.566 1.00 0.12 C ATOM 815 CG GLN A 54 -3.205 10.548 -2.615 1.00 0.17 C ATOM 816 CD GLN A 54 -2.958 11.695 -3.570 1.00 0.69 C ATOM 817 OE1 GLN A 54 -2.370 12.714 -3.206 1.00 1.24 O ATOM 818 NE2 GLN A 54 -3.394 11.533 -4.807 1.00 0.70 N ATOM 0 H GLN A 54 -0.632 9.742 0.218 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.305 10.856 0.168 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.586 11.362 -1.508 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.421 9.659 -1.883 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.267 9.618 -3.180 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.169 10.689 -2.127 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -3.877 10.674 -5.069 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -3.248 12.267 -5.500 1.00 0.70 H new ATOM 827 N LEU A 55 -2.708 7.662 -0.215 1.00 0.08 N ATOM 828 CA LEU A 55 -3.266 6.335 -0.128 1.00 0.07 C ATOM 829 C LEU A 55 -3.907 6.185 1.230 1.00 0.07 C ATOM 830 O LEU A 55 -4.891 5.474 1.403 1.00 0.08 O ATOM 831 CB LEU A 55 -2.132 5.332 -0.318 1.00 0.06 C ATOM 832 CG LEU A 55 -2.446 4.116 -1.175 1.00 0.06 C ATOM 833 CD1 LEU A 55 -2.902 2.959 -0.311 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.496 4.447 -2.223 1.00 0.10 C ATOM 0 H LEU A 55 -1.690 7.668 -0.274 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.022 6.160 -0.894 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.284 5.854 -0.762 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.814 4.985 0.665 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.533 3.821 -1.692 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.122 2.098 -0.942 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.113 2.699 0.395 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.799 3.246 0.237 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.703 3.561 -2.823 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.412 4.774 -1.730 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.127 5.244 -2.868 1.00 0.10 H new ATOM 846 N LYS A 56 -3.347 6.909 2.182 1.00 0.07 N ATOM 847 CA LYS A 56 -3.910 6.980 3.511 1.00 0.08 C ATOM 848 C LYS A 56 -5.111 7.889 3.479 1.00 0.09 C ATOM 849 O LYS A 56 -6.059 7.709 4.214 1.00 0.12 O ATOM 850 CB LYS A 56 -2.886 7.514 4.508 1.00 0.10 C ATOM 851 CG LYS A 56 -3.316 7.375 5.962 1.00 0.11 C ATOM 852 CD LYS A 56 -4.367 6.290 6.128 1.00 0.11 C ATOM 853 CE LYS A 56 -4.707 6.048 7.583 1.00 0.20 C ATOM 854 NZ LYS A 56 -5.269 7.263 8.228 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.497 7.458 2.054 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.202 5.979 3.829 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -1.943 6.986 4.365 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.697 8.566 4.293 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.448 7.141 6.579 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.713 8.326 6.318 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.270 6.574 5.587 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.006 5.364 5.681 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.425 5.232 7.657 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.811 5.734 8.118 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.778 6.993 9.093 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.497 7.916 8.470 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -5.926 7.732 7.572 1.00 0.82 H new ATOM 868 N THR A 57 -5.048 8.850 2.598 1.00 0.09 N ATOM 869 CA THR A 57 -6.114 9.781 2.393 1.00 0.10 C ATOM 870 C THR A 57 -7.291 9.070 1.754 1.00 0.09 C ATOM 871 O THR A 57 -8.437 9.320 2.088 1.00 0.11 O ATOM 872 CB THR A 57 -5.619 10.935 1.508 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.507 12.153 2.253 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.494 11.131 0.296 1.00 0.12 C ATOM 0 H THR A 57 -4.240 9.007 1.995 1.00 0.09 H new ATOM 0 HA THR A 57 -6.440 10.193 3.348 1.00 0.10 H new ATOM 0 HB THR A 57 -4.625 10.659 1.156 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.188 12.869 1.664 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.108 11.957 -0.302 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.496 10.220 -0.302 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.511 11.358 0.615 1.00 0.12 H new ATOM 882 N LEU A 58 -6.976 8.179 0.838 1.00 0.09 N ATOM 883 CA LEU A 58 -7.952 7.374 0.166 1.00 0.09 C ATOM 884 C LEU A 58 -8.511 6.328 1.096 1.00 0.09 C ATOM 885 O LEU A 58 -9.701 6.079 1.112 1.00 0.12 O ATOM 886 CB LEU A 58 -7.265 6.765 -1.024 1.00 0.11 C ATOM 887 CG LEU A 58 -6.789 7.803 -2.013 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.581 7.292 -2.769 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.926 8.189 -2.939 1.00 0.16 C ATOM 0 H LEU A 58 -6.017 7.997 0.541 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.804 7.970 -0.161 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.414 6.174 -0.685 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -7.950 6.080 -1.523 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.477 8.702 -1.481 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.248 8.050 -3.478 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.777 7.075 -2.066 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.847 6.383 -3.308 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.578 8.938 -3.650 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.270 7.307 -3.480 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.749 8.600 -2.354 1.00 0.16 H new ATOM 901 N LEU A 59 -7.648 5.731 1.883 1.00 0.07 N ATOM 902 CA LEU A 59 -8.079 4.853 2.956 1.00 0.07 C ATOM 903 C LEU A 59 -8.883 5.657 3.968 1.00 0.09 C ATOM 904 O LEU A 59 -9.833 5.171 4.552 1.00 0.11 O ATOM 905 CB LEU A 59 -6.858 4.241 3.624 1.00 0.07 C ATOM 906 CG LEU A 59 -7.088 2.912 4.334 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.102 3.105 5.814 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.391 2.292 3.920 1.00 0.08 C ATOM 0 H LEU A 59 -6.636 5.835 1.803 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.704 4.054 2.557 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.086 4.099 2.868 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.467 4.956 4.348 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.270 2.249 4.052 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.267 2.146 6.304 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.146 3.517 6.136 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.903 3.793 6.084 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.526 1.346 4.443 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.210 2.966 4.171 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.384 2.114 2.845 1.00 0.08 H new ATOM 920 N ASP A 60 -8.478 6.889 4.162 1.00 0.09 N ATOM 921 CA ASP A 60 -9.224 7.855 4.953 1.00 0.11 C ATOM 922 C ASP A 60 -10.559 8.111 4.311 1.00 0.12 C ATOM 923 O ASP A 60 -11.519 8.510 4.960 1.00 0.16 O ATOM 924 CB ASP A 60 -8.455 9.169 5.022 1.00 0.17 C ATOM 925 CG ASP A 60 -7.927 9.490 6.405 1.00 0.42 C ATOM 926 OD1 ASP A 60 -7.128 8.690 6.943 1.00 0.66 O ATOM 927 OD2 ASP A 60 -8.310 10.537 6.969 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.611 7.260 3.773 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.364 7.455 5.957 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.619 9.128 4.323 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.106 9.979 4.694 1.00 0.17 H new ATOM 932 N LYS A 61 -10.599 7.894 3.017 1.00 0.12 N ATOM 933 CA LYS A 61 -11.824 8.011 2.280 1.00 0.14 C ATOM 934 C LYS A 61 -12.663 6.773 2.487 1.00 0.12 C ATOM 935 O LYS A 61 -13.881 6.781 2.350 1.00 0.17 O ATOM 936 CB LYS A 61 -11.540 8.236 0.805 1.00 0.19 C ATOM 937 CG LYS A 61 -10.822 9.528 0.562 1.00 0.25 C ATOM 938 CD LYS A 61 -10.991 10.023 -0.867 1.00 0.39 C ATOM 939 CE LYS A 61 -12.429 10.438 -1.147 1.00 1.20 C ATOM 940 NZ LYS A 61 -12.624 10.879 -2.552 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.789 7.634 2.455 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.380 8.874 2.647 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -10.941 7.410 0.421 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.478 8.233 0.251 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.196 10.284 1.253 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.761 9.397 0.776 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.326 10.869 -1.041 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -10.696 9.238 -1.563 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -13.094 9.601 -0.935 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -12.710 11.247 -0.472 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -13.559 11.324 -2.650 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -11.885 11.566 -2.806 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -12.565 10.056 -3.185 1.00 1.92 H new ATOM 954 N LEU A 62 -11.981 5.727 2.884 1.00 0.10 N ATOM 955 CA LEU A 62 -12.619 4.455 3.160 1.00 0.11 C ATOM 956 C LEU A 62 -13.055 4.461 4.588 1.00 0.12 C ATOM 957 O LEU A 62 -13.924 3.701 4.999 1.00 0.14 O ATOM 958 CB LEU A 62 -11.679 3.269 2.948 1.00 0.11 C ATOM 959 CG LEU A 62 -11.523 2.790 1.514 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.711 3.221 0.708 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.251 3.299 0.889 1.00 0.11 C ATOM 0 H LEU A 62 -10.971 5.729 3.026 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.456 4.339 2.472 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.694 3.539 3.329 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.037 2.435 3.552 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.465 1.702 1.525 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.598 2.877 -0.320 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.617 2.792 1.137 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.784 4.308 0.720 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.178 2.934 -0.135 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.258 4.389 0.886 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.396 2.943 1.463 1.00 0.11 H new ATOM 973 N GLU A 63 -12.374 5.292 5.342 1.00 0.11 N ATOM 974 CA GLU A 63 -12.643 5.477 6.744 1.00 0.14 C ATOM 975 C GLU A 63 -14.121 5.637 7.022 1.00 0.16 C ATOM 976 O GLU A 63 -14.788 6.493 6.437 1.00 0.20 O ATOM 977 CB GLU A 63 -11.902 6.683 7.262 1.00 0.16 C ATOM 978 CG GLU A 63 -10.569 6.361 7.902 1.00 0.17 C ATOM 979 CD GLU A 63 -10.065 7.467 8.805 1.00 0.85 C ATOM 980 OE1 GLU A 63 -9.006 7.280 9.441 1.00 1.29 O ATOM 981 OE2 GLU A 63 -10.738 8.513 8.905 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.607 5.866 4.991 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.298 4.580 7.259 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.739 7.378 6.438 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.529 7.196 7.992 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.662 5.441 8.480 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -9.833 6.173 7.121 1.00 0.17 H new ATOM 988 N GLY A 64 -14.623 4.810 7.914 1.00 0.18 N ATOM 989 CA GLY A 64 -16.022 4.845 8.239 1.00 0.20 C ATOM 990 C GLY A 64 -16.815 3.864 7.411 1.00 0.20 C ATOM 991 O GLY A 64 -17.969 3.578 7.714 1.00 0.26 O ATOM 0 H GLY A 64 -14.082 4.110 8.422 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.155 4.619 9.297 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.407 5.852 8.078 1.00 0.20 H new ATOM 995 N SER A 65 -16.191 3.345 6.361 1.00 0.16 N ATOM 996 CA SER A 65 -16.845 2.393 5.469 1.00 0.16 C ATOM 997 C SER A 65 -16.237 1.001 5.670 1.00 0.18 C ATOM 998 O SER A 65 -15.174 0.874 6.266 1.00 0.25 O ATOM 999 CB SER A 65 -16.666 2.858 4.022 1.00 0.19 C ATOM 1000 OG SER A 65 -16.605 4.272 3.953 1.00 0.27 O ATOM 0 H SER A 65 -15.229 3.568 6.105 1.00 0.16 H new ATOM 0 HA SER A 65 -17.910 2.340 5.694 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.754 2.429 3.607 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.494 2.495 3.413 1.00 0.19 H new ATOM 0 HG SER A 65 -15.712 4.574 4.220 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.899 -0.035 5.172 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.403 -1.407 5.326 1.00 0.22 C ATOM 1008 C ARG A 66 -15.156 -1.656 4.490 1.00 0.21 C ATOM 1009 O ARG A 66 -14.319 -2.495 4.828 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.473 -2.398 4.915 1.00 0.26 C ATOM 1011 CG ARG A 66 -17.801 -2.304 3.445 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.821 -3.334 3.018 1.00 0.47 C ATOM 1013 NE ARG A 66 -20.137 -3.074 3.598 1.00 1.46 N ATOM 1014 CZ ARG A 66 -21.074 -4.003 3.780 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -20.835 -5.269 3.457 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -22.250 -3.666 4.289 1.00 3.05 N ATOM 0 H ARG A 66 -17.777 0.042 4.659 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.148 -1.541 6.377 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -17.138 -3.409 5.147 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.376 -2.219 5.499 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.180 -1.307 3.223 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -16.889 -2.436 2.862 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -18.898 -3.339 1.931 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.482 -4.326 3.318 1.00 0.47 H new ATOM 0 HE ARG A 66 -20.352 -2.118 3.882 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -19.930 -5.534 3.067 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -21.556 -5.976 3.599 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -22.437 -2.696 4.541 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -22.968 -4.377 4.429 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.055 -0.925 3.398 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.942 -1.042 2.471 1.00 0.18 C ATOM 1032 C GLU A 67 -12.669 -0.733 3.197 1.00 0.15 C ATOM 1033 O GLU A 67 -11.650 -1.366 2.999 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.169 -0.048 1.365 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.235 -0.638 -0.004 1.00 0.33 C ATOM 1036 CD GLU A 67 -12.913 -1.114 -0.558 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -12.900 -2.200 -1.183 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -11.898 -0.415 -0.388 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.747 -0.227 3.125 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.871 -2.049 2.059 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -15.099 0.485 1.560 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.367 0.690 1.389 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -14.929 -1.478 0.012 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -14.650 0.106 -0.684 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.795 0.235 4.069 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.726 0.682 4.940 1.00 0.13 C ATOM 1047 C HIS A 68 -10.933 -0.445 5.518 1.00 0.14 C ATOM 1048 O HIS A 68 -9.745 -0.374 5.567 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.285 1.440 6.104 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.229 2.173 6.823 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.504 3.202 6.405 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.766 1.858 8.072 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.611 3.506 7.380 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.783 2.680 8.373 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.665 0.751 4.200 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.082 1.300 4.314 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.043 2.141 5.754 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.780 0.749 6.786 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.601 3.680 5.509 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.144 1.068 8.704 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.880 4.300 7.340 1.00 0.17 H new ATOM 1063 N THR A 69 -11.606 -1.435 6.010 1.00 0.15 N ATOM 1064 CA THR A 69 -10.952 -2.579 6.614 1.00 0.16 C ATOM 1065 C THR A 69 -9.979 -3.212 5.653 1.00 0.15 C ATOM 1066 O THR A 69 -8.800 -3.423 5.928 1.00 0.15 O ATOM 1067 CB THR A 69 -11.989 -3.629 6.904 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.931 -3.183 7.887 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.329 -4.919 7.320 1.00 0.21 C ATOM 0 H THR A 69 -12.625 -1.485 6.010 1.00 0.15 H new ATOM 0 HA THR A 69 -10.437 -2.236 7.511 1.00 0.16 H new ATOM 0 HB THR A 69 -12.549 -3.812 5.987 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.592 -3.888 8.051 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.093 -5.669 7.526 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.682 -5.272 6.517 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.734 -4.750 8.218 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.540 -3.471 4.518 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.926 -4.171 3.443 1.00 0.16 C ATOM 1079 C LEU A 70 -8.826 -3.328 2.943 1.00 0.13 C ATOM 1080 O LEU A 70 -7.702 -3.751 2.759 1.00 0.12 O ATOM 1081 CB LEU A 70 -11.031 -4.404 2.395 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.622 -4.646 0.942 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.423 -3.328 0.209 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.386 -5.522 0.875 1.00 0.21 C ATOM 0 H LEU A 70 -11.495 -3.182 4.306 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.501 -5.135 3.722 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.620 -5.261 2.720 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.692 -3.538 2.413 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.429 -5.178 0.437 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.132 -3.526 -0.823 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.354 -2.761 0.222 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.640 -2.752 0.702 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.110 -5.683 -0.167 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.564 -5.032 1.396 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.594 -6.482 1.348 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.174 -2.111 2.830 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.348 -1.140 2.239 1.00 0.09 C ATOM 1098 C ALA A 71 -7.327 -0.625 3.218 1.00 0.07 C ATOM 1099 O ALA A 71 -6.321 -0.098 2.826 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.231 -0.054 1.732 1.00 0.10 C ATOM 0 H ALA A 71 -10.070 -1.750 3.156 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.780 -1.570 1.414 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.623 0.721 1.265 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.925 -0.463 0.998 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.792 0.376 2.562 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.592 -0.775 4.492 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.643 -0.468 5.504 1.00 0.09 C ATOM 1108 C LYS A 72 -5.668 -1.573 5.512 1.00 0.10 C ATOM 1109 O LYS A 72 -4.478 -1.383 5.688 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.310 -0.392 6.843 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.342 -0.052 7.927 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.980 0.845 8.945 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.290 0.744 10.297 1.00 0.22 C ATOM 1114 NZ LYS A 72 -4.840 1.060 10.214 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.485 -1.118 4.847 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.169 0.493 5.307 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.100 0.358 6.813 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.785 -1.347 7.067 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.992 -0.965 8.408 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.468 0.439 7.500 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.944 1.876 8.594 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.032 0.582 9.053 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.769 1.427 10.999 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.418 -0.263 10.694 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -4.340 0.607 11.006 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -4.458 0.704 9.314 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -4.706 2.090 10.264 1.00 1.35 H new ATOM 1128 N SER A 73 -6.192 -2.749 5.276 1.00 0.10 N ATOM 1129 CA SER A 73 -5.335 -3.888 5.225 1.00 0.12 C ATOM 1130 C SER A 73 -4.615 -3.943 3.879 1.00 0.11 C ATOM 1131 O SER A 73 -3.678 -4.715 3.697 1.00 0.13 O ATOM 1132 CB SER A 73 -6.064 -5.199 5.551 1.00 0.16 C ATOM 1133 OG SER A 73 -7.267 -5.337 4.822 1.00 1.18 O ATOM 0 H SER A 73 -7.183 -2.933 5.121 1.00 0.10 H new ATOM 0 HA SER A 73 -4.586 -3.775 6.009 1.00 0.12 H new ATOM 0 HB2 SER A 73 -5.409 -6.042 5.330 1.00 0.16 H new ATOM 0 HB3 SER A 73 -6.282 -5.236 6.618 1.00 0.16 H new ATOM 0 HG SER A 73 -7.141 -4.992 3.914 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.074 -3.122 2.930 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.341 -2.868 1.718 1.00 0.08 C ATOM 1141 C LYS A 74 -3.359 -1.768 1.940 1.00 0.06 C ATOM 1142 O LYS A 74 -2.165 -1.909 1.721 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.291 -2.449 0.642 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.309 -3.496 0.369 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.318 -2.992 -0.585 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.016 -3.547 -1.929 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.395 -4.980 -2.057 1.00 1.02 N1+ ATOM 0 H LYS A 74 -5.962 -2.624 2.994 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.816 -3.777 1.425 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.789 -1.525 0.936 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.735 -2.235 -0.271 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.827 -4.385 -0.037 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.794 -3.793 1.299 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.318 -3.288 -0.269 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.302 -1.902 -0.613 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.545 -2.967 -2.685 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.951 -3.438 -2.132 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.816 -5.428 -2.796 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.234 -5.464 -1.151 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.400 -5.052 -2.314 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.907 -0.671 2.379 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.172 0.524 2.650 1.00 0.04 C ATOM 1163 C TYR A 75 -1.997 0.246 3.550 1.00 0.05 C ATOM 1164 O TYR A 75 -0.871 0.513 3.189 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.066 1.537 3.343 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.247 2.561 4.078 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.071 2.472 5.445 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.595 3.574 3.386 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.262 3.371 6.111 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.795 4.481 4.035 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.627 4.376 5.403 1.00 0.08 C ATOM 1172 OH TYR A 75 -0.818 5.270 6.064 1.00 0.25 O ATOM 0 H TYR A 75 -4.907 -0.584 2.562 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.816 0.914 1.697 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.700 2.032 2.607 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.728 1.026 4.042 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.571 1.691 5.999 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.720 3.649 2.316 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.125 3.290 7.179 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.302 5.268 3.483 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.265 5.753 5.415 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.281 -0.313 4.716 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.303 -0.430 5.772 1.00 0.08 C ATOM 1184 C ASP A 76 -0.230 -1.376 5.309 1.00 0.09 C ATOM 1185 O ASP A 76 0.935 -1.272 5.659 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.940 -0.972 7.049 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.818 -0.018 8.223 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.792 0.708 8.514 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.742 0.016 8.858 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.197 -0.696 4.951 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.888 0.554 5.993 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -2.994 -1.178 6.863 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.470 -1.921 7.308 1.00 0.13 H new ATOM 1194 N SER A 77 -0.683 -2.272 4.465 1.00 0.07 N ATOM 1195 CA SER A 77 0.124 -3.283 3.849 1.00 0.07 C ATOM 1196 C SER A 77 1.087 -2.617 2.897 1.00 0.06 C ATOM 1197 O SER A 77 2.306 -2.710 3.029 1.00 0.06 O ATOM 1198 CB SER A 77 -0.837 -4.198 3.094 1.00 0.08 C ATOM 1199 OG SER A 77 -0.185 -5.184 2.330 1.00 0.10 O ATOM 0 H SER A 77 -1.662 -2.313 4.182 1.00 0.07 H new ATOM 0 HA SER A 77 0.703 -3.854 4.575 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.502 -4.683 3.808 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.462 -3.593 2.437 1.00 0.08 H new ATOM 0 HG SER A 77 0.785 -5.070 2.408 1.00 0.10 H new ATOM 1205 N LEU A 78 0.492 -1.875 1.996 1.00 0.04 N ATOM 1206 CA LEU A 78 1.164 -1.200 0.929 1.00 0.04 C ATOM 1207 C LEU A 78 2.085 -0.142 1.511 1.00 0.04 C ATOM 1208 O LEU A 78 3.208 0.075 1.058 1.00 0.04 O ATOM 1209 CB LEU A 78 0.052 -0.593 0.093 1.00 0.03 C ATOM 1210 CG LEU A 78 0.443 0.070 -1.206 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.498 1.551 -0.970 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.774 -0.452 -1.696 1.00 0.04 C ATOM 0 H LEU A 78 -0.517 -1.723 1.992 1.00 0.04 H new ATOM 0 HA LEU A 78 1.789 -1.855 0.322 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.667 -1.380 -0.134 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.466 0.145 0.706 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.291 -0.156 -1.979 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.779 2.056 -1.894 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.481 1.904 -0.646 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.236 1.769 -0.198 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.035 0.040 -2.633 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.542 -0.245 -0.951 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.706 -1.528 -1.858 1.00 0.04 H new ATOM 1224 N ALA A 79 1.586 0.459 2.559 1.00 0.04 N ATOM 1225 CA ALA A 79 2.275 1.483 3.297 1.00 0.04 C ATOM 1226 C ALA A 79 3.479 0.906 3.958 1.00 0.05 C ATOM 1227 O ALA A 79 4.507 1.539 4.031 1.00 0.07 O ATOM 1228 CB ALA A 79 1.321 2.092 4.315 1.00 0.05 C ATOM 0 H ALA A 79 0.662 0.243 2.933 1.00 0.04 H new ATOM 0 HA ALA A 79 2.610 2.271 2.622 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.838 2.869 4.878 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.466 2.526 3.798 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.976 1.317 4.999 1.00 0.05 H new ATOM 1234 N THR A 80 3.356 -0.317 4.380 1.00 0.05 N ATOM 1235 CA THR A 80 4.450 -1.008 4.998 1.00 0.05 C ATOM 1236 C THR A 80 5.484 -1.407 3.966 1.00 0.05 C ATOM 1237 O THR A 80 6.670 -1.338 4.221 1.00 0.05 O ATOM 1238 CB THR A 80 3.950 -2.256 5.687 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.114 -1.909 6.798 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.112 -3.106 6.162 1.00 0.07 C ATOM 0 H THR A 80 2.498 -0.863 4.306 1.00 0.05 H new ATOM 0 HA THR A 80 4.905 -0.335 5.725 1.00 0.05 H new ATOM 0 HB THR A 80 3.366 -2.832 4.969 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.407 -1.300 6.498 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.731 -4.000 6.656 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.724 -3.396 5.308 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.718 -2.534 6.865 1.00 0.07 H new ATOM 1248 N GLN A 81 5.022 -1.810 2.795 1.00 0.05 N ATOM 1249 CA GLN A 81 5.863 -2.270 1.759 1.00 0.05 C ATOM 1250 C GLN A 81 6.685 -1.151 1.269 1.00 0.05 C ATOM 1251 O GLN A 81 7.873 -1.299 1.018 1.00 0.05 O ATOM 1252 CB GLN A 81 4.981 -2.829 0.677 1.00 0.05 C ATOM 1253 CG GLN A 81 4.319 -4.068 1.190 1.00 0.05 C ATOM 1254 CD GLN A 81 3.026 -4.404 0.546 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.172 -4.947 1.367 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.793 -4.156 -0.626 1.00 0.07 N flip ATOM 0 H GLN A 81 4.030 -1.818 2.556 1.00 0.05 H new ATOM 0 HA GLN A 81 6.543 -3.048 2.106 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.231 -2.094 0.383 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.570 -3.056 -0.211 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.002 -4.907 1.058 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.155 -3.956 2.262 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.512 -3.729 -1.210 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.879 -4.376 -1.022 1.00 0.07 H new ATOM 1265 N ILE A 82 6.062 -0.007 1.171 1.00 0.04 N ATOM 1266 CA ILE A 82 6.814 1.131 0.814 1.00 0.04 C ATOM 1267 C ILE A 82 7.630 1.594 2.015 1.00 0.05 C ATOM 1268 O ILE A 82 8.802 1.831 1.871 1.00 0.05 O ATOM 1269 CB ILE A 82 5.986 2.309 0.240 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.242 3.069 1.299 1.00 0.05 C ATOM 1271 CG2 ILE A 82 4.997 1.880 -0.814 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.984 4.297 1.724 1.00 0.06 C ATOM 0 H ILE A 82 5.066 0.145 1.331 1.00 0.04 H new ATOM 0 HA ILE A 82 7.463 0.818 -0.004 1.00 0.04 H new ATOM 0 HB ILE A 82 6.733 2.960 -0.216 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.259 3.350 0.922 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.080 2.425 2.163 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.450 2.751 -1.175 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.529 1.416 -1.644 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.297 1.163 -0.385 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.413 4.820 2.491 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.957 4.014 2.125 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.123 4.954 0.865 1.00 0.06 H new ATOM 1284 N LYS A 83 7.006 1.698 3.202 1.00 0.05 N ATOM 1285 CA LYS A 83 7.701 2.128 4.429 1.00 0.05 C ATOM 1286 C LYS A 83 8.914 1.279 4.723 1.00 0.05 C ATOM 1287 O LYS A 83 9.866 1.727 5.346 1.00 0.06 O ATOM 1288 CB LYS A 83 6.757 2.057 5.617 1.00 0.06 C ATOM 1289 CG LYS A 83 6.364 3.419 6.128 1.00 0.10 C ATOM 1290 CD LYS A 83 5.625 4.171 5.052 1.00 0.12 C ATOM 1291 CE LYS A 83 5.615 5.648 5.312 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.838 6.009 6.523 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.017 1.489 3.338 1.00 0.05 H new ATOM 0 HA LYS A 83 8.030 3.154 4.264 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.860 1.508 5.331 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.232 1.495 6.421 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.735 3.319 7.013 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.252 3.975 6.430 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.091 3.975 4.086 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.600 3.806 4.992 1.00 0.12 H new ATOM 0 HE2 LYS A 83 6.640 6.000 5.424 1.00 0.20 H new ATOM 0 HE3 LYS A 83 5.194 6.162 4.448 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 4.863 7.040 6.657 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 3.852 5.699 6.408 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 5.253 5.542 7.354 1.00 0.95 H new ATOM 1306 N ALA A 84 8.834 0.045 4.315 1.00 0.05 N ATOM 1307 CA ALA A 84 9.927 -0.870 4.368 1.00 0.05 C ATOM 1308 C ALA A 84 10.989 -0.446 3.433 1.00 0.04 C ATOM 1309 O ALA A 84 12.163 -0.370 3.777 1.00 0.05 O ATOM 1310 CB ALA A 84 9.422 -2.179 3.910 1.00 0.05 C ATOM 0 H ALA A 84 7.982 -0.359 3.927 1.00 0.05 H new ATOM 0 HA ALA A 84 10.329 -0.913 5.380 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.230 -2.910 3.936 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.615 -2.507 4.565 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.047 -2.088 2.890 1.00 0.05 H new ATOM 1316 N ILE A 85 10.550 -0.178 2.232 1.00 0.04 N ATOM 1317 CA ILE A 85 11.424 0.262 1.221 1.00 0.04 C ATOM 1318 C ILE A 85 12.070 1.519 1.685 1.00 0.04 C ATOM 1319 O ILE A 85 13.270 1.673 1.612 1.00 0.05 O ATOM 1320 CB ILE A 85 10.672 0.502 -0.086 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.265 -0.832 -0.664 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.514 1.320 -1.039 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.323 -0.736 -1.829 1.00 0.04 C ATOM 0 H ILE A 85 9.575 -0.264 1.945 1.00 0.04 H new ATOM 0 HA ILE A 85 12.177 -0.502 1.028 1.00 0.04 H new ATOM 0 HB ILE A 85 9.767 1.082 0.096 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.161 -1.368 -0.979 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.796 -1.427 0.120 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.962 1.481 -1.965 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.748 2.282 -0.584 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.440 0.787 -1.256 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.081 -1.738 -2.184 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.409 -0.231 -1.517 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.794 -0.170 -2.632 1.00 0.04 H new ATOM 1335 N GLN A 86 11.244 2.368 2.246 1.00 0.04 N ATOM 1336 CA GLN A 86 11.668 3.605 2.768 1.00 0.05 C ATOM 1337 C GLN A 86 12.671 3.344 3.818 1.00 0.05 C ATOM 1338 O GLN A 86 13.742 3.854 3.749 1.00 0.07 O ATOM 1339 CB GLN A 86 10.506 4.348 3.371 1.00 0.06 C ATOM 1340 CG GLN A 86 9.378 4.496 2.402 1.00 0.06 C ATOM 1341 CD GLN A 86 8.942 5.915 2.201 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.556 6.554 1.239 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.070 6.430 2.899 1.00 0.08 N flip ATOM 0 H GLN A 86 10.243 2.197 2.345 1.00 0.04 H new ATOM 0 HA GLN A 86 12.092 4.211 1.968 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.157 3.818 4.257 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.836 5.334 3.698 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.678 4.077 1.441 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.529 3.910 2.754 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.621 5.888 3.637 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.795 7.399 2.740 1.00 0.08 H new ATOM 1352 N ASP A 87 12.304 2.481 4.749 1.00 0.05 N ATOM 1353 CA ASP A 87 13.165 2.133 5.876 1.00 0.06 C ATOM 1354 C ASP A 87 14.547 1.854 5.391 1.00 0.06 C ATOM 1355 O ASP A 87 15.504 2.509 5.766 1.00 0.08 O ATOM 1356 CB ASP A 87 12.699 0.860 6.579 1.00 0.08 C ATOM 1357 CG ASP A 87 12.895 0.924 8.081 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.941 1.278 8.800 1.00 0.40 O ATOM 1359 OD2 ASP A 87 14.013 0.621 8.558 1.00 0.39 O1- ATOM 0 H ASP A 87 11.404 2.001 4.749 1.00 0.05 H new ATOM 0 HA ASP A 87 13.130 2.978 6.564 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.644 0.692 6.360 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.247 0.006 6.180 1.00 0.08 H new ATOM 1364 N VAL A 88 14.631 0.891 4.524 1.00 0.04 N ATOM 1365 CA VAL A 88 15.907 0.407 4.103 1.00 0.04 C ATOM 1366 C VAL A 88 16.566 1.406 3.137 1.00 0.04 C ATOM 1367 O VAL A 88 17.744 1.688 3.270 1.00 0.05 O ATOM 1368 CB VAL A 88 15.789 -1.005 3.514 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.761 -1.816 4.289 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.431 -0.951 2.066 1.00 0.04 C ATOM 0 H VAL A 88 13.831 0.426 4.095 1.00 0.04 H new ATOM 0 HA VAL A 88 16.562 0.324 4.970 1.00 0.04 H new ATOM 0 HB VAL A 88 16.759 -1.495 3.603 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.688 -2.815 3.860 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.068 -1.890 5.332 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.790 -1.324 4.230 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.354 -1.964 1.672 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.475 -0.441 1.946 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.203 -0.408 1.520 1.00 0.04 H new ATOM 1380 N ASN A 89 15.781 1.996 2.222 1.00 0.05 N ATOM 1381 CA ASN A 89 16.239 3.071 1.343 1.00 0.06 C ATOM 1382 C ASN A 89 16.709 4.244 2.160 1.00 0.07 C ATOM 1383 O ASN A 89 17.567 5.023 1.746 1.00 0.09 O ATOM 1384 CB ASN A 89 15.075 3.535 0.483 1.00 0.06 C ATOM 1385 CG ASN A 89 14.753 2.587 -0.639 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.235 1.464 -0.672 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.891 3.021 -1.534 1.00 0.08 N ATOM 0 H ASN A 89 14.806 1.735 2.074 1.00 0.05 H new ATOM 0 HA ASN A 89 17.057 2.698 0.726 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.193 3.657 1.112 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.307 4.515 0.067 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.598 2.411 -2.297 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.516 3.967 -1.464 1.00 0.08 H new ATOM 1394 N ALA A 90 16.118 4.348 3.325 1.00 0.07 N ATOM 1395 CA ALA A 90 16.363 5.434 4.247 1.00 0.08 C ATOM 1396 C ALA A 90 17.689 5.229 4.923 1.00 0.09 C ATOM 1397 O ALA A 90 18.214 6.111 5.599 1.00 0.12 O ATOM 1398 CB ALA A 90 15.246 5.476 5.264 1.00 0.09 C ATOM 0 H ALA A 90 15.440 3.668 3.667 1.00 0.07 H new ATOM 0 HA ALA A 90 16.392 6.383 3.712 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.422 6.292 5.964 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.296 5.634 4.754 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.214 4.532 5.808 1.00 0.09 H new ATOM 1404 N GLN A 91 18.213 4.038 4.736 1.00 0.07 N ATOM 1405 CA GLN A 91 19.483 3.665 5.280 1.00 0.08 C ATOM 1406 C GLN A 91 20.564 4.010 4.298 1.00 0.08 C ATOM 1407 O GLN A 91 21.703 4.156 4.666 1.00 0.10 O ATOM 1408 CB GLN A 91 19.494 2.181 5.621 1.00 0.07 C ATOM 1409 CG GLN A 91 18.398 1.753 6.578 1.00 0.08 C ATOM 1410 CD GLN A 91 18.106 2.761 7.673 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.752 2.810 8.705 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.100 3.547 7.457 1.00 0.14 N ATOM 0 H GLN A 91 17.759 3.301 4.196 1.00 0.07 H new ATOM 0 HA GLN A 91 19.665 4.216 6.203 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.400 1.607 4.699 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.460 1.927 6.057 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.485 1.573 6.011 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.680 0.805 7.037 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.580 3.481 6.582 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.828 4.233 8.162 1.00 0.14 H new ATOM 1421 N PHE A 92 20.189 4.165 3.054 1.00 0.08 N ATOM 1422 CA PHE A 92 21.132 4.584 2.027 1.00 0.09 C ATOM 1423 C PHE A 92 21.061 6.060 1.785 1.00 0.11 C ATOM 1424 O PHE A 92 20.067 6.724 2.081 1.00 0.12 O ATOM 1425 CB PHE A 92 20.890 3.869 0.700 1.00 0.09 C ATOM 1426 CG PHE A 92 20.806 2.400 0.822 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.879 1.596 0.518 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.647 1.828 1.261 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.788 0.241 0.659 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.544 0.482 1.402 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.617 -0.317 1.105 1.00 0.06 C ATOM 0 H PHE A 92 19.238 4.009 2.719 1.00 0.08 H new ATOM 0 HA PHE A 92 22.120 4.318 2.404 1.00 0.09 H new ATOM 0 HB2 PHE A 92 19.965 4.241 0.261 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.695 4.122 0.010 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.799 2.039 0.166 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.801 2.455 1.499 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.633 -0.388 0.421 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.620 0.042 1.747 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.541 -1.388 1.222 1.00 0.06 H new ATOM 1441 N GLU A 93 22.149 6.554 1.236 1.00 0.12 N ATOM 1442 CA GLU A 93 22.258 7.924 0.840 1.00 0.14 C ATOM 1443 C GLU A 93 21.234 8.213 -0.250 1.00 0.14 C ATOM 1444 O GLU A 93 20.799 9.348 -0.446 1.00 0.16 O ATOM 1445 CB GLU A 93 23.663 8.204 0.338 1.00 0.16 C ATOM 1446 CG GLU A 93 24.749 7.852 1.345 1.00 0.17 C ATOM 1447 CD GLU A 93 26.000 8.682 1.152 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.151 9.700 1.849 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.843 8.317 0.304 1.00 0.37 O1- ATOM 0 H GLU A 93 22.987 6.002 1.054 1.00 0.12 H new ATOM 0 HA GLU A 93 22.061 8.572 1.694 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.832 7.639 -0.579 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.745 9.260 0.082 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.368 8.002 2.355 1.00 0.17 H new ATOM 0 HG3 GLU A 93 24.999 6.795 1.253 1.00 0.17 H new ATOM 1456 N LYS A 94 20.874 7.151 -0.959 1.00 0.13 N ATOM 1457 CA LYS A 94 19.817 7.180 -1.948 1.00 0.14 C ATOM 1458 C LYS A 94 19.127 5.836 -1.964 1.00 0.12 C ATOM 1459 O LYS A 94 19.770 4.805 -1.799 1.00 0.12 O ATOM 1460 CB LYS A 94 20.321 7.521 -3.348 1.00 0.21 C ATOM 1461 CG LYS A 94 21.832 7.568 -3.504 1.00 0.75 C ATOM 1462 CD LYS A 94 22.220 8.112 -4.870 1.00 1.25 C ATOM 1463 CE LYS A 94 23.698 7.917 -5.159 1.00 2.08 C ATOM 1464 NZ LYS A 94 24.042 6.483 -5.354 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.316 6.237 -0.859 1.00 0.13 H new ATOM 0 HA LYS A 94 19.122 7.971 -1.666 1.00 0.14 H new ATOM 0 HB2 LYS A 94 19.923 6.786 -4.048 1.00 0.21 H new ATOM 0 HB3 LYS A 94 19.913 8.490 -3.637 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.263 8.194 -2.723 1.00 0.75 H new ATOM 0 HG3 LYS A 94 22.246 6.568 -3.375 1.00 0.75 H new ATOM 0 HD2 LYS A 94 21.631 7.614 -5.640 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.977 9.173 -4.920 1.00 1.25 H new ATOM 0 HE2 LYS A 94 23.970 8.480 -6.052 1.00 2.08 H new ATOM 0 HE3 LYS A 94 24.285 8.322 -4.335 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 24.982 6.408 -5.792 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 24.050 6.000 -4.433 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 23.335 6.037 -5.973 1.00 2.94 H new ATOM 1478 N PRO A 95 17.812 5.855 -2.163 1.00 0.11 N ATOM 1479 CA PRO A 95 16.950 4.681 -2.076 1.00 0.09 C ATOM 1480 C PRO A 95 17.476 3.509 -2.824 1.00 0.08 C ATOM 1481 O PRO A 95 17.935 3.648 -3.961 1.00 0.10 O ATOM 1482 CB PRO A 95 15.667 5.156 -2.734 1.00 0.11 C ATOM 1483 CG PRO A 95 15.628 6.593 -2.415 1.00 0.13 C ATOM 1484 CD PRO A 95 17.054 7.046 -2.547 1.00 0.14 C ATOM 0 HA PRO A 95 16.847 4.341 -1.046 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.681 4.984 -3.810 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.796 4.633 -2.339 1.00 0.11 H new ATOM 0 HG2 PRO A 95 14.975 7.134 -3.100 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.248 6.766 -1.408 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.285 7.361 -3.564 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.272 7.891 -1.894 1.00 0.14 H new ATOM 1492 N ALA A 96 17.393 2.341 -2.224 1.00 0.06 N ATOM 1493 CA ALA A 96 17.764 1.207 -2.971 1.00 0.06 C ATOM 1494 C ALA A 96 16.723 0.127 -2.882 1.00 0.05 C ATOM 1495 O ALA A 96 17.010 -1.019 -2.573 1.00 0.05 O ATOM 1496 CB ALA A 96 19.051 0.705 -2.383 1.00 0.05 C ATOM 0 H ALA A 96 17.085 2.175 -1.266 1.00 0.06 H new ATOM 0 HA ALA A 96 17.870 1.472 -4.023 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.381 -0.178 -2.931 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.812 1.482 -2.455 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.896 0.445 -1.336 1.00 0.05 H new ATOM 1502 N ILE A 97 15.524 0.523 -3.206 1.00 0.06 N ATOM 1503 CA ILE A 97 14.498 -0.278 -3.795 1.00 0.07 C ATOM 1504 C ILE A 97 13.728 0.654 -4.640 1.00 0.08 C ATOM 1505 O ILE A 97 12.924 1.401 -4.115 1.00 0.10 O ATOM 1506 CB ILE A 97 13.575 -0.917 -2.780 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.250 -2.104 -2.162 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.231 -1.296 -3.389 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.754 -1.807 -0.792 1.00 0.05 C ATOM 0 H ILE A 97 15.221 1.485 -3.052 1.00 0.06 H new ATOM 0 HA ILE A 97 14.944 -1.107 -4.344 1.00 0.07 H new ATOM 0 HB ILE A 97 13.364 -0.185 -2.001 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.549 -2.938 -2.118 1.00 0.06 H new ATOM 0 HG13 ILE A 97 15.081 -2.419 -2.794 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.601 -1.751 -2.625 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.743 -0.402 -3.777 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.387 -2.006 -4.201 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.236 -2.694 -0.381 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.475 -0.991 -0.839 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.920 -1.518 -0.152 1.00 0.05 H new ATOM 1521 N VAL A 98 13.979 0.691 -5.885 1.00 0.09 N ATOM 1522 CA VAL A 98 13.297 1.647 -6.699 1.00 0.10 C ATOM 1523 C VAL A 98 12.730 0.978 -7.916 1.00 0.10 C ATOM 1524 O VAL A 98 13.457 0.452 -8.757 1.00 0.14 O ATOM 1525 CB VAL A 98 14.183 2.848 -7.039 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.483 3.619 -5.747 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.459 2.402 -7.731 1.00 0.11 C ATOM 0 H VAL A 98 14.640 0.086 -6.372 1.00 0.09 H new ATOM 0 HA VAL A 98 12.462 2.054 -6.128 1.00 0.10 H new ATOM 0 HB VAL A 98 13.661 3.506 -7.734 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.114 4.478 -5.974 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.549 3.962 -5.303 1.00 0.10 H new ATOM 0 HG13 VAL A 98 15.000 2.965 -5.045 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.071 3.274 -7.962 1.00 0.11 H new ATOM 0 HG22 VAL A 98 16.014 1.732 -7.074 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.209 1.879 -8.654 1.00 0.11 H new ATOM 1537 N ASP A 99 11.409 0.963 -7.946 1.00 0.09 N ATOM 1538 CA ASP A 99 10.647 0.211 -8.942 1.00 0.11 C ATOM 1539 C ASP A 99 10.677 -1.273 -8.594 1.00 0.09 C ATOM 1540 O ASP A 99 10.798 -2.139 -9.458 1.00 0.11 O ATOM 1541 CB ASP A 99 11.188 0.435 -10.357 1.00 0.14 C ATOM 1542 CG ASP A 99 10.315 -0.170 -11.440 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.800 -1.045 -12.180 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.130 0.214 -11.540 1.00 0.52 O1- ATOM 0 H ASP A 99 10.828 1.472 -7.280 1.00 0.09 H new ATOM 0 HA ASP A 99 9.618 0.571 -8.925 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.285 1.506 -10.535 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.189 0.008 -10.427 1.00 0.14 H new ATOM 1549 N GLY A 100 10.576 -1.559 -7.304 1.00 0.07 N ATOM 1550 CA GLY A 100 10.597 -2.929 -6.845 1.00 0.08 C ATOM 1551 C GLY A 100 11.948 -3.579 -6.995 1.00 0.08 C ATOM 1552 O GLY A 100 12.098 -4.766 -6.730 1.00 0.10 O ATOM 0 H GLY A 100 10.480 -0.862 -6.566 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.299 -2.960 -5.797 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.859 -3.505 -7.403 1.00 0.08 H new ATOM 1556 N VAL A 101 12.920 -2.820 -7.459 1.00 0.08 N ATOM 1557 CA VAL A 101 14.246 -3.336 -7.631 1.00 0.09 C ATOM 1558 C VAL A 101 15.249 -2.433 -6.972 1.00 0.08 C ATOM 1559 O VAL A 101 15.211 -1.215 -7.086 1.00 0.09 O ATOM 1560 CB VAL A 101 14.593 -3.545 -9.111 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.523 -2.236 -9.889 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.961 -4.195 -9.245 1.00 0.15 C ATOM 0 H VAL A 101 12.807 -1.841 -7.722 1.00 0.08 H new ATOM 0 HA VAL A 101 14.283 -4.314 -7.150 1.00 0.09 H new ATOM 0 HB VAL A 101 13.851 -4.216 -9.544 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.774 -2.420 -10.934 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.514 -1.828 -9.825 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.230 -1.523 -9.466 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.194 -4.337 -10.300 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.715 -3.553 -8.790 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.956 -5.161 -8.741 1.00 0.15 H new ATOM 1572 N LEU A 102 16.136 -3.070 -6.290 1.00 0.07 N ATOM 1573 CA LEU A 102 17.136 -2.433 -5.502 1.00 0.07 C ATOM 1574 C LEU A 102 18.142 -1.679 -6.358 1.00 0.09 C ATOM 1575 O LEU A 102 18.399 -2.023 -7.515 1.00 0.11 O ATOM 1576 CB LEU A 102 17.828 -3.528 -4.721 1.00 0.07 C ATOM 1577 CG LEU A 102 19.316 -3.324 -4.469 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.522 -2.355 -3.330 1.00 0.06 C ATOM 1579 CD2 LEU A 102 20.017 -4.633 -4.179 1.00 0.07 C ATOM 0 H LEU A 102 16.188 -4.088 -6.264 1.00 0.07 H new ATOM 0 HA LEU A 102 16.680 -1.693 -4.845 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.327 -3.634 -3.759 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.695 -4.469 -5.255 1.00 0.07 H new ATOM 0 HG LEU A 102 19.754 -2.909 -5.376 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.590 -2.217 -3.159 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.068 -1.397 -3.581 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.058 -2.751 -2.427 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.077 -4.447 -4.004 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.578 -5.092 -3.293 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.902 -5.304 -5.030 1.00 0.07 H new ATOM 1591 N ASP A 103 18.713 -0.670 -5.746 1.00 0.09 N ATOM 1592 CA ASP A 103 19.761 0.130 -6.336 1.00 0.11 C ATOM 1593 C ASP A 103 21.052 -0.258 -5.673 1.00 0.11 C ATOM 1594 O ASP A 103 21.391 0.275 -4.640 1.00 0.10 O ATOM 1595 CB ASP A 103 19.550 1.604 -6.044 1.00 0.13 C ATOM 1596 CG ASP A 103 19.876 2.509 -7.218 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.942 2.914 -7.940 1.00 0.46 O ATOM 1598 OD2 ASP A 103 21.066 2.840 -7.413 1.00 0.48 O1- ATOM 0 H ASP A 103 18.457 -0.375 -4.804 1.00 0.09 H new ATOM 0 HA ASP A 103 19.766 -0.035 -7.413 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.512 1.763 -5.751 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.169 1.889 -5.193 1.00 0.13 H new ATOM 1603 N THR A 104 21.765 -1.160 -6.269 1.00 0.12 N ATOM 1604 CA THR A 104 23.017 -1.662 -5.712 1.00 0.14 C ATOM 1605 C THR A 104 24.060 -0.585 -5.743 1.00 0.16 C ATOM 1606 O THR A 104 25.128 -0.680 -5.136 1.00 0.19 O ATOM 1607 CB THR A 104 23.504 -2.864 -6.503 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.325 -2.451 -7.606 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.301 -3.596 -7.029 1.00 0.16 C ATOM 0 H THR A 104 21.509 -1.582 -7.161 1.00 0.12 H new ATOM 0 HA THR A 104 22.840 -1.965 -4.680 1.00 0.14 H new ATOM 0 HB THR A 104 24.100 -3.506 -5.855 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.629 -3.240 -8.101 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.625 -4.465 -7.602 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.680 -3.922 -6.195 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.724 -2.932 -7.673 1.00 0.16 H new ATOM 1617 N ASN A 105 23.713 0.443 -6.465 1.00 0.16 N ATOM 1618 CA ASN A 105 24.561 1.590 -6.629 1.00 0.20 C ATOM 1619 C ASN A 105 24.311 2.565 -5.508 1.00 0.19 C ATOM 1620 O ASN A 105 24.895 3.649 -5.439 1.00 0.26 O ATOM 1621 CB ASN A 105 24.271 2.242 -7.959 1.00 0.26 C ATOM 1622 CG ASN A 105 25.519 2.754 -8.639 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.905 3.910 -8.472 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.165 1.894 -9.403 1.00 0.90 N ATOM 0 H ASN A 105 22.824 0.509 -6.961 1.00 0.16 H new ATOM 0 HA ASN A 105 25.606 1.281 -6.604 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.775 1.523 -8.611 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.577 3.069 -7.810 1.00 0.26 H new ATOM 0 HD21 ASN A 105 27.019 2.179 -9.882 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.810 0.944 -9.514 1.00 0.90 H new ATOM 1631 N ALA A 106 23.415 2.158 -4.642 1.00 0.14 N ATOM 1632 CA ALA A 106 23.072 2.944 -3.464 1.00 0.13 C ATOM 1633 C ALA A 106 24.178 2.905 -2.445 1.00 0.14 C ATOM 1634 O ALA A 106 25.205 2.249 -2.624 1.00 0.20 O ATOM 1635 CB ALA A 106 21.768 2.476 -2.850 1.00 0.10 C ATOM 0 H ALA A 106 22.902 1.280 -4.725 1.00 0.14 H new ATOM 0 HA ALA A 106 22.942 3.977 -3.788 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.540 3.082 -1.973 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.965 2.578 -3.580 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.859 1.431 -2.554 1.00 0.10 H new ATOM 1641 N LYS A 107 23.951 3.624 -1.381 1.00 0.13 N ATOM 1642 CA LYS A 107 24.971 3.875 -0.401 1.00 0.14 C ATOM 1643 C LYS A 107 24.438 3.730 0.989 1.00 0.12 C ATOM 1644 O LYS A 107 23.905 4.679 1.540 1.00 0.12 O ATOM 1645 CB LYS A 107 25.499 5.278 -0.579 1.00 0.17 C ATOM 1646 CG LYS A 107 26.665 5.360 -1.519 1.00 0.25 C ATOM 1647 CD LYS A 107 27.842 4.572 -0.961 1.00 0.80 C ATOM 1648 CE LYS A 107 28.305 5.140 0.375 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.498 4.423 0.902 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.051 4.054 -1.168 1.00 0.13 H new ATOM 0 HA LYS A 107 25.767 3.144 -0.545 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.697 5.916 -0.950 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.796 5.673 0.393 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.383 4.966 -2.495 1.00 0.25 H new ATOM 0 HG3 LYS A 107 26.951 6.401 -1.666 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.556 3.528 -0.835 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.667 4.593 -1.673 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.540 6.198 0.257 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.493 5.073 1.099 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.780 4.841 1.812 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.267 3.418 1.039 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.282 4.508 0.224 1.00 1.99 H new ATOM 1663 N ALA A 108 24.596 2.559 1.561 1.00 0.11 N ATOM 1664 CA ALA A 108 24.099 2.317 2.896 1.00 0.10 C ATOM 1665 C ALA A 108 24.828 3.231 3.876 1.00 0.11 C ATOM 1666 O ALA A 108 25.969 2.967 4.256 1.00 0.13 O ATOM 1667 CB ALA A 108 24.258 0.847 3.259 1.00 0.10 C ATOM 0 H ALA A 108 25.062 1.763 1.126 1.00 0.11 H new ATOM 0 HA ALA A 108 23.034 2.546 2.946 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.880 0.678 4.267 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.696 0.235 2.553 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.312 0.574 3.217 1.00 0.10 H new ATOM 1673 N LYS A 109 24.155 4.330 4.217 1.00 0.11 N ATOM 1674 CA LYS A 109 24.673 5.380 5.086 1.00 0.13 C ATOM 1675 C LYS A 109 25.367 4.852 6.341 1.00 0.15 C ATOM 1676 O LYS A 109 25.191 3.701 6.740 1.00 0.14 O ATOM 1677 CB LYS A 109 23.519 6.272 5.522 1.00 0.14 C ATOM 1678 CG LYS A 109 23.180 7.322 4.497 1.00 0.15 C ATOM 1679 CD LYS A 109 22.101 8.264 4.989 1.00 0.17 C ATOM 1680 CE LYS A 109 20.743 7.604 4.944 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.689 8.457 5.553 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.209 4.517 3.886 1.00 0.11 H new ATOM 0 HA LYS A 109 25.420 5.923 4.507 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.640 5.656 5.710 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.776 6.758 6.463 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.076 7.893 4.252 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.848 6.839 3.578 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.324 8.576 6.009 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.092 9.164 4.375 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.480 7.386 3.909 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.786 6.650 5.470 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.852 7.877 5.765 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 20.049 8.880 6.432 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.427 9.212 4.888 1.00 0.26 H new ATOM 1695 N SER A 110 26.109 5.735 6.995 1.00 0.19 N ATOM 1696 CA SER A 110 26.728 5.430 8.278 1.00 0.22 C ATOM 1697 C SER A 110 25.677 5.377 9.373 1.00 0.23 C ATOM 1698 O SER A 110 25.981 5.157 10.542 1.00 0.26 O ATOM 1699 CB SER A 110 27.782 6.477 8.628 1.00 0.27 C ATOM 1700 OG SER A 110 28.768 6.576 7.611 1.00 0.29 O ATOM 0 H SER A 110 26.298 6.677 6.654 1.00 0.19 H new ATOM 0 HA SER A 110 27.211 4.456 8.199 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.303 7.446 8.768 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.257 6.216 9.574 1.00 0.27 H new ATOM 0 HG SER A 110 29.429 7.255 7.861 1.00 0.29 H new ATOM 1706 N ASP A 111 24.444 5.597 8.971 1.00 0.21 N ATOM 1707 CA ASP A 111 23.324 5.587 9.877 1.00 0.23 C ATOM 1708 C ASP A 111 22.408 4.431 9.532 1.00 0.19 C ATOM 1709 O ASP A 111 21.505 4.093 10.300 1.00 0.21 O ATOM 1710 CB ASP A 111 22.555 6.903 9.801 1.00 0.28 C ATOM 1711 CG ASP A 111 23.283 8.049 10.468 1.00 0.77 C ATOM 1712 OD1 ASP A 111 24.201 8.620 9.843 1.00 1.51 O ATOM 1713 OD2 ASP A 111 22.947 8.387 11.621 1.00 0.70 O1- ATOM 0 H ASP A 111 24.193 5.788 8.001 1.00 0.21 H new ATOM 0 HA ASP A 111 23.696 5.468 10.895 1.00 0.23 H new ATOM 0 HB2 ASP A 111 22.375 7.153 8.755 1.00 0.28 H new ATOM 0 HB3 ASP A 111 21.580 6.776 10.271 1.00 0.28 H new ATOM 1718 N ALA A 112 22.631 3.852 8.346 1.00 0.14 N ATOM 1719 CA ALA A 112 21.908 2.671 7.917 1.00 0.11 C ATOM 1720 C ALA A 112 21.881 1.610 8.991 1.00 0.12 C ATOM 1721 O ALA A 112 22.900 1.031 9.373 1.00 0.15 O ATOM 1722 CB ALA A 112 22.506 2.097 6.649 1.00 0.10 C ATOM 0 H ALA A 112 23.314 4.193 7.669 1.00 0.14 H new ATOM 0 HA ALA A 112 20.883 2.983 7.718 1.00 0.11 H new ATOM 0 HB1 ALA A 112 21.944 1.212 6.350 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.459 2.842 5.855 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.546 1.823 6.829 1.00 0.10 H new ATOM 1728 N LYS A 113 20.689 1.392 9.453 1.00 0.11 N ATOM 1729 CA LYS A 113 20.378 0.424 10.458 1.00 0.13 C ATOM 1730 C LYS A 113 19.174 -0.360 9.997 1.00 0.12 C ATOM 1731 O LYS A 113 18.038 0.111 10.063 1.00 0.13 O ATOM 1732 CB LYS A 113 20.077 1.129 11.757 1.00 0.15 C ATOM 1733 CG LYS A 113 20.666 0.415 12.958 1.00 0.24 C ATOM 1734 CD LYS A 113 20.334 1.113 14.265 1.00 0.34 C ATOM 1735 CE LYS A 113 20.800 0.291 15.458 1.00 1.46 C ATOM 1736 NZ LYS A 113 22.251 -0.035 15.387 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.871 1.906 9.126 1.00 0.11 H new ATOM 0 HA LYS A 113 21.220 -0.250 10.617 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.470 2.145 11.714 1.00 0.15 H new ATOM 0 HB3 LYS A 113 18.997 1.210 11.881 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.291 -0.608 12.990 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.749 0.354 12.846 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.808 2.094 14.288 1.00 0.34 H new ATOM 0 HD3 LYS A 113 19.258 1.277 14.330 1.00 0.34 H new ATOM 0 HE2 LYS A 113 20.598 0.841 16.377 1.00 1.46 H new ATOM 0 HE3 LYS A 113 20.224 -0.633 15.507 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 22.559 -0.445 16.292 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 22.416 -0.720 14.622 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 22.793 0.832 15.197 1.00 2.22 H new ATOM 1750 N PHE A 114 19.434 -1.539 9.508 1.00 0.11 N ATOM 1751 CA PHE A 114 18.427 -2.298 8.810 1.00 0.10 C ATOM 1752 C PHE A 114 17.602 -3.181 9.709 1.00 0.12 C ATOM 1753 O PHE A 114 18.023 -3.595 10.787 1.00 0.15 O ATOM 1754 CB PHE A 114 19.071 -3.130 7.734 1.00 0.08 C ATOM 1755 CG PHE A 114 19.568 -2.296 6.615 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.834 -1.756 6.653 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.760 -2.050 5.529 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.287 -0.981 5.619 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.205 -1.280 4.493 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.470 -0.742 4.533 1.00 0.06 C ATOM 0 H PHE A 114 20.341 -2.001 9.579 1.00 0.11 H new ATOM 0 HA PHE A 114 17.740 -1.571 8.376 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.899 -3.697 8.160 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.350 -3.854 7.355 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.473 -1.945 7.503 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.765 -2.469 5.496 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.280 -0.558 5.653 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.565 -1.094 3.644 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.824 -0.133 3.715 1.00 0.06 H new ATOM 1770 N THR A 115 16.417 -3.450 9.218 1.00 0.12 N ATOM 1771 CA THR A 115 15.484 -4.354 9.824 1.00 0.13 C ATOM 1772 C THR A 115 15.036 -5.329 8.766 1.00 0.13 C ATOM 1773 O THR A 115 14.804 -4.940 7.620 1.00 0.13 O ATOM 1774 CB THR A 115 14.285 -3.593 10.420 1.00 0.15 C ATOM 1775 OG1 THR A 115 13.964 -2.461 9.603 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.590 -3.126 11.835 1.00 0.20 C ATOM 0 H THR A 115 16.069 -3.029 8.357 1.00 0.12 H new ATOM 0 HA THR A 115 15.958 -4.887 10.648 1.00 0.13 H new ATOM 0 HB THR A 115 13.434 -4.273 10.450 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.200 -1.985 9.990 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.729 -2.591 12.235 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.806 -3.989 12.465 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.455 -2.462 11.821 1.00 0.20 H new ATOM 1784 N ASP A 116 14.993 -6.596 9.129 1.00 0.16 N ATOM 1785 CA ASP A 116 14.564 -7.647 8.223 1.00 0.18 C ATOM 1786 C ASP A 116 13.079 -7.555 8.016 1.00 0.17 C ATOM 1787 O ASP A 116 12.309 -8.435 8.406 1.00 0.23 O ATOM 1788 CB ASP A 116 14.943 -9.011 8.780 1.00 0.24 C ATOM 1789 CG ASP A 116 16.391 -9.364 8.526 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.245 -9.034 9.376 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.685 -9.981 7.478 1.00 0.88 O1- ATOM 0 H ASP A 116 15.254 -6.927 10.058 1.00 0.16 H new ATOM 0 HA ASP A 116 15.064 -7.521 7.263 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.753 -9.026 9.853 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.304 -9.772 8.332 1.00 0.24 H new ATOM 1796 N ILE A 117 12.708 -6.470 7.394 1.00 0.14 N ATOM 1797 CA ILE A 117 11.337 -6.080 7.265 1.00 0.13 C ATOM 1798 C ILE A 117 10.558 -7.028 6.408 1.00 0.15 C ATOM 1799 O ILE A 117 10.913 -7.301 5.262 1.00 0.18 O ATOM 1800 CB ILE A 117 11.219 -4.659 6.715 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.782 -3.704 7.749 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.772 -4.318 6.374 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.489 -2.252 7.463 1.00 0.12 C ATOM 0 H ILE A 117 13.364 -5.823 6.956 1.00 0.14 H new ATOM 0 HA ILE A 117 10.909 -6.108 8.267 1.00 0.13 H new ATOM 0 HB ILE A 117 11.786 -4.573 5.788 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.375 -3.961 8.727 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.862 -3.842 7.807 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.720 -3.301 5.985 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.402 -5.014 5.621 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.159 -4.395 7.272 1.00 0.12 H new ATOM 0 HD11 ILE A 117 11.924 -1.632 8.247 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.921 -1.976 6.501 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.410 -2.097 7.435 1.00 0.12 H new ATOM 1815 N LYS A 118 9.527 -7.569 6.999 1.00 0.14 N ATOM 1816 CA LYS A 118 8.559 -8.304 6.246 1.00 0.16 C ATOM 1817 C LYS A 118 7.283 -7.545 6.155 1.00 0.14 C ATOM 1818 O LYS A 118 6.546 -7.366 7.125 1.00 0.22 O ATOM 1819 CB LYS A 118 8.325 -9.670 6.831 1.00 0.23 C ATOM 1820 CG LYS A 118 9.595 -10.452 6.857 1.00 0.30 C ATOM 1821 CD LYS A 118 10.017 -10.917 5.470 1.00 0.38 C ATOM 1822 CE LYS A 118 11.229 -11.831 5.535 1.00 1.10 C ATOM 1823 NZ LYS A 118 12.422 -11.127 6.081 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.340 -7.512 8.000 1.00 0.14 H new ATOM 0 HA LYS A 118 8.955 -8.441 5.240 1.00 0.16 H new ATOM 0 HB2 LYS A 118 7.928 -9.576 7.842 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.576 -10.201 6.243 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.387 -9.840 7.289 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.472 -11.319 7.506 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.189 -11.442 4.993 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.246 -10.051 4.849 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.000 -12.695 6.158 1.00 1.10 H new ATOM 0 HE3 LYS A 118 11.454 -12.208 4.537 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 13.256 -11.743 6.000 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 12.585 -10.252 5.543 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 12.260 -10.894 7.081 1.00 1.87 H new ATOM 1837 N THR A 119 7.063 -7.086 4.968 1.00 0.10 N ATOM 1838 CA THR A 119 5.861 -6.400 4.611 1.00 0.09 C ATOM 1839 C THR A 119 4.783 -7.413 4.368 1.00 0.12 C ATOM 1840 O THR A 119 3.590 -7.105 4.369 1.00 0.16 O ATOM 1841 CB THR A 119 6.106 -5.629 3.327 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.360 -6.541 2.255 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.295 -4.740 3.497 1.00 0.06 C ATOM 0 H THR A 119 7.728 -7.178 4.200 1.00 0.10 H new ATOM 0 HA THR A 119 5.563 -5.719 5.408 1.00 0.09 H new ATOM 0 HB THR A 119 5.224 -5.031 3.099 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.261 -6.916 2.351 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.470 -4.187 2.574 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.112 -4.039 4.311 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.171 -5.345 3.729 1.00 0.06 H new ATOM 1851 N GLY A 120 5.229 -8.641 4.168 1.00 0.13 N ATOM 1852 CA GLY A 120 4.335 -9.653 3.708 1.00 0.14 C ATOM 1853 C GLY A 120 4.442 -9.831 2.210 1.00 0.13 C ATOM 1854 O GLY A 120 4.043 -10.862 1.663 1.00 0.18 O ATOM 0 H GLY A 120 6.191 -8.944 4.318 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.560 -10.596 4.207 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.312 -9.388 3.974 1.00 0.14 H new ATOM 1858 N ASN A 121 4.985 -8.816 1.546 1.00 0.10 N ATOM 1859 CA ASN A 121 5.271 -8.898 0.130 1.00 0.10 C ATOM 1860 C ASN A 121 6.662 -9.457 -0.028 1.00 0.16 C ATOM 1861 O ASN A 121 7.629 -8.725 -0.049 1.00 0.30 O ATOM 1862 CB ASN A 121 5.190 -7.511 -0.510 1.00 0.11 C ATOM 1863 CG ASN A 121 5.356 -7.538 -2.012 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.280 -8.589 -2.650 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.549 -6.367 -2.589 1.00 0.13 N ATOM 0 H ASN A 121 5.235 -7.925 1.975 1.00 0.10 H new ATOM 0 HA ASN A 121 4.542 -9.541 -0.364 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.228 -7.061 -0.265 1.00 0.11 H new ATOM 0 HB3 ASN A 121 5.960 -6.873 -0.077 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.642 -6.307 -3.603 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.605 -5.522 -2.021 1.00 0.13 H new ATOM 1872 N THR A 122 6.731 -10.771 -0.134 1.00 0.15 N ATOM 1873 CA THR A 122 7.983 -11.497 -0.159 1.00 0.16 C ATOM 1874 C THR A 122 8.967 -10.951 -1.166 1.00 0.12 C ATOM 1875 O THR A 122 10.062 -10.611 -0.802 1.00 0.11 O ATOM 1876 CB THR A 122 7.733 -12.957 -0.469 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.781 -13.498 0.458 1.00 0.26 O ATOM 1878 CG2 THR A 122 9.027 -13.741 -0.419 1.00 0.19 C ATOM 0 H THR A 122 5.908 -11.369 -0.206 1.00 0.15 H new ATOM 0 HA THR A 122 8.422 -11.379 0.832 1.00 0.16 H new ATOM 0 HB THR A 122 7.326 -13.037 -1.477 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.623 -14.443 0.250 1.00 0.26 H new ATOM 0 HG21 THR A 122 8.827 -14.788 -0.645 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.725 -13.339 -1.153 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.463 -13.661 0.577 1.00 0.19 H new ATOM 1886 N GLU A 123 8.582 -10.884 -2.425 1.00 0.14 N ATOM 1887 CA GLU A 123 9.461 -10.369 -3.463 1.00 0.14 C ATOM 1888 C GLU A 123 9.985 -9.009 -3.079 1.00 0.11 C ATOM 1889 O GLU A 123 11.132 -8.686 -3.338 1.00 0.15 O ATOM 1890 CB GLU A 123 8.702 -10.275 -4.766 1.00 0.21 C ATOM 1891 CG GLU A 123 7.935 -11.536 -5.081 1.00 0.30 C ATOM 1892 CD GLU A 123 8.413 -12.209 -6.348 1.00 1.16 C ATOM 1893 OE1 GLU A 123 9.325 -13.060 -6.272 1.00 1.66 O ATOM 1894 OE2 GLU A 123 7.882 -11.886 -7.428 1.00 1.46 O1- ATOM 0 H GLU A 123 7.664 -11.180 -2.757 1.00 0.14 H new ATOM 0 HA GLU A 123 10.305 -11.048 -3.581 1.00 0.14 H new ATOM 0 HB2 GLU A 123 8.009 -9.435 -4.719 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.401 -10.067 -5.576 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.029 -12.232 -4.247 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.876 -11.297 -5.179 1.00 0.30 H new ATOM 1901 N LEU A 124 9.147 -8.243 -2.414 1.00 0.09 N ATOM 1902 CA LEU A 124 9.544 -6.956 -1.913 1.00 0.07 C ATOM 1903 C LEU A 124 10.477 -7.147 -0.755 1.00 0.08 C ATOM 1904 O LEU A 124 11.501 -6.509 -0.675 1.00 0.08 O ATOM 1905 CB LEU A 124 8.350 -6.184 -1.425 1.00 0.07 C ATOM 1906 CG LEU A 124 8.705 -5.051 -0.497 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.444 -3.992 -1.255 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.474 -4.506 0.150 1.00 0.05 C ATOM 0 H LEU A 124 8.180 -8.497 -2.210 1.00 0.09 H new ATOM 0 HA LEU A 124 10.028 -6.406 -2.720 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.810 -5.784 -2.283 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.672 -6.865 -0.911 1.00 0.07 H new ATOM 0 HG LEU A 124 9.356 -5.419 0.295 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.700 -3.174 -0.582 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.357 -4.415 -1.675 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.814 -3.615 -2.061 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.745 -3.688 0.818 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.793 -4.137 -0.617 1.00 0.05 H new ATOM 0 HD23 LEU A 124 6.984 -5.294 0.722 1.00 0.05 H new ATOM 1920 N ASP A 125 10.093 -8.041 0.134 1.00 0.09 N ATOM 1921 CA ASP A 125 10.863 -8.364 1.305 1.00 0.12 C ATOM 1922 C ASP A 125 12.247 -8.817 0.883 1.00 0.12 C ATOM 1923 O ASP A 125 13.236 -8.608 1.584 1.00 0.19 O ATOM 1924 CB ASP A 125 10.136 -9.457 2.101 1.00 0.21 C ATOM 1925 CG ASP A 125 8.883 -8.950 2.807 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.071 -9.776 3.276 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.708 -7.716 2.905 1.00 1.21 O1- ATOM 0 H ASP A 125 9.223 -8.568 0.056 1.00 0.09 H new ATOM 0 HA ASP A 125 10.970 -7.488 1.945 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.862 -10.268 1.426 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.819 -9.874 2.841 1.00 0.21 H new ATOM 1932 N LYS A 126 12.297 -9.430 -0.286 1.00 0.10 N ATOM 1933 CA LYS A 126 13.533 -9.855 -0.892 1.00 0.10 C ATOM 1934 C LYS A 126 14.264 -8.711 -1.574 1.00 0.11 C ATOM 1935 O LYS A 126 15.463 -8.796 -1.795 1.00 0.17 O ATOM 1936 CB LYS A 126 13.235 -10.977 -1.885 1.00 0.11 C ATOM 1937 CG LYS A 126 12.359 -12.062 -1.291 1.00 0.13 C ATOM 1938 CD LYS A 126 12.300 -13.316 -2.154 1.00 0.18 C ATOM 1939 CE LYS A 126 13.666 -13.955 -2.338 1.00 0.62 C ATOM 1940 NZ LYS A 126 13.575 -15.263 -3.044 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.469 -9.646 -0.842 1.00 0.10 H new ATOM 0 HA LYS A 126 14.195 -10.218 -0.106 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.744 -10.559 -2.764 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.173 -11.417 -2.223 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.735 -12.325 -0.302 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.350 -11.673 -1.155 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.623 -14.037 -1.697 1.00 0.18 H new ATOM 0 HD3 LYS A 126 11.885 -13.063 -3.130 1.00 0.18 H new ATOM 0 HE2 LYS A 126 14.309 -13.281 -2.904 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.134 -14.100 -1.364 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 14.527 -15.667 -3.150 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 12.982 -15.915 -2.492 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.152 -15.122 -3.984 1.00 1.29 H new ATOM 1954 N VAL A 127 13.569 -7.634 -1.877 1.00 0.08 N ATOM 1955 CA VAL A 127 14.216 -6.492 -2.475 1.00 0.07 C ATOM 1956 C VAL A 127 14.585 -5.508 -1.383 1.00 0.06 C ATOM 1957 O VAL A 127 15.567 -4.778 -1.480 1.00 0.06 O ATOM 1958 CB VAL A 127 13.336 -5.794 -3.513 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.105 -4.666 -4.165 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.862 -6.777 -4.566 1.00 0.09 C ATOM 0 H VAL A 127 12.567 -7.528 -1.720 1.00 0.08 H new ATOM 0 HA VAL A 127 15.105 -6.849 -2.995 1.00 0.07 H new ATOM 0 HB VAL A 127 12.461 -5.387 -3.006 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.472 -4.173 -4.903 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.406 -3.944 -3.406 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.992 -5.067 -4.657 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.238 -6.258 -5.293 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.724 -7.212 -5.072 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.283 -7.569 -4.090 1.00 0.09 H new ATOM 1970 N LEU A 128 13.788 -5.525 -0.332 1.00 0.06 N ATOM 1971 CA LEU A 128 14.089 -4.793 0.875 1.00 0.05 C ATOM 1972 C LEU A 128 15.454 -5.240 1.314 1.00 0.06 C ATOM 1973 O LEU A 128 16.368 -4.464 1.581 1.00 0.06 O ATOM 1974 CB LEU A 128 13.109 -5.178 1.968 1.00 0.06 C ATOM 1975 CG LEU A 128 11.658 -4.892 1.665 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.802 -5.188 2.882 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.490 -3.454 1.223 1.00 0.06 C ATOM 0 H LEU A 128 12.913 -6.049 -0.295 1.00 0.06 H new ATOM 0 HA LEU A 128 14.034 -3.719 0.696 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.217 -6.243 2.171 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.383 -4.650 2.881 1.00 0.06 H new ATOM 0 HG LEU A 128 11.331 -5.539 0.851 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.757 -4.978 2.652 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.909 -6.238 3.156 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.123 -4.561 3.714 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.439 -3.260 1.007 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.826 -2.788 2.017 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.083 -3.278 0.326 1.00 0.06 H new ATOM 1989 N ASP A 129 15.534 -6.554 1.311 1.00 0.06 N ATOM 1990 CA ASP A 129 16.706 -7.326 1.686 1.00 0.07 C ATOM 1991 C ASP A 129 17.894 -6.974 0.846 1.00 0.07 C ATOM 1992 O ASP A 129 19.010 -6.816 1.326 1.00 0.07 O ATOM 1993 CB ASP A 129 16.393 -8.761 1.379 1.00 0.10 C ATOM 1994 CG ASP A 129 16.879 -9.736 2.431 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.084 -10.073 2.432 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.065 -10.155 3.278 1.00 0.35 O1- ATOM 0 H ASP A 129 14.748 -7.143 1.035 1.00 0.06 H new ATOM 0 HA ASP A 129 16.933 -7.132 2.734 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.314 -8.871 1.267 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.841 -9.023 0.421 1.00 0.10 H new ATOM 2001 N LYS A 130 17.606 -6.935 -0.429 1.00 0.07 N ATOM 2002 CA LYS A 130 18.534 -6.589 -1.470 1.00 0.07 C ATOM 2003 C LYS A 130 19.313 -5.376 -1.082 1.00 0.06 C ATOM 2004 O LYS A 130 20.535 -5.335 -1.190 1.00 0.07 O ATOM 2005 CB LYS A 130 17.679 -6.332 -2.681 1.00 0.08 C ATOM 2006 CG LYS A 130 17.776 -7.366 -3.775 1.00 0.12 C ATOM 2007 CD LYS A 130 18.005 -8.740 -3.211 1.00 0.15 C ATOM 2008 CE LYS A 130 17.608 -9.823 -4.198 1.00 1.00 C ATOM 2009 NZ LYS A 130 17.705 -11.181 -3.601 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.675 -7.154 -0.784 1.00 0.07 H new ATOM 0 HA LYS A 130 19.266 -7.374 -1.660 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.639 -6.262 -2.362 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.951 -5.362 -3.097 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.859 -7.361 -4.365 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.591 -7.108 -4.451 1.00 0.12 H new ATOM 0 HD2 LYS A 130 19.056 -8.855 -2.947 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.431 -8.857 -2.292 1.00 0.15 H new ATOM 0 HE2 LYS A 130 16.587 -9.648 -4.538 1.00 1.00 H new ATOM 0 HE3 LYS A 130 18.250 -9.766 -5.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 17.426 -11.891 -4.307 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 18.684 -11.359 -3.300 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 17.073 -11.244 -2.778 1.00 1.66 H new ATOM 2023 N ALA A 131 18.590 -4.431 -0.564 1.00 0.06 N ATOM 2024 CA ALA A 131 19.166 -3.183 -0.135 1.00 0.05 C ATOM 2025 C ALA A 131 20.017 -3.407 1.083 1.00 0.05 C ATOM 2026 O ALA A 131 21.168 -3.007 1.141 1.00 0.05 O ATOM 2027 CB ALA A 131 18.080 -2.204 0.188 1.00 0.04 C ATOM 0 H ALA A 131 17.582 -4.498 -0.424 1.00 0.06 H new ATOM 0 HA ALA A 131 19.783 -2.783 -0.939 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.523 -1.262 0.512 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.470 -2.032 -0.699 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.455 -2.604 0.986 1.00 0.04 H new ATOM 2033 N ILE A 132 19.433 -4.056 2.058 1.00 0.05 N ATOM 2034 CA ILE A 132 20.134 -4.432 3.264 1.00 0.06 C ATOM 2035 C ILE A 132 21.407 -5.181 2.952 1.00 0.08 C ATOM 2036 O ILE A 132 22.342 -5.214 3.749 1.00 0.09 O ATOM 2037 CB ILE A 132 19.252 -5.333 4.108 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.837 -4.783 4.038 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.760 -5.417 5.539 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.899 -5.218 5.139 1.00 0.07 C ATOM 0 H ILE A 132 18.454 -4.341 2.040 1.00 0.05 H new ATOM 0 HA ILE A 132 20.381 -3.515 3.800 1.00 0.06 H new ATOM 0 HB ILE A 132 19.270 -6.353 3.724 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.892 -3.694 4.044 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.402 -5.075 3.082 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.107 -6.070 6.119 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.773 -5.820 5.543 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.764 -4.421 5.983 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.921 -4.763 4.984 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.801 -6.304 5.126 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.298 -4.901 6.103 1.00 0.07 H new ATOM 2052 N SER A 133 21.433 -5.774 1.780 1.00 0.08 N ATOM 2053 CA SER A 133 22.557 -6.566 1.380 1.00 0.10 C ATOM 2054 C SER A 133 23.641 -5.663 0.785 1.00 0.08 C ATOM 2055 O SER A 133 24.788 -6.070 0.583 1.00 0.11 O ATOM 2056 CB SER A 133 22.096 -7.651 0.421 1.00 0.13 C ATOM 2057 OG SER A 133 23.182 -8.306 -0.212 1.00 1.33 O ATOM 0 H SER A 133 20.683 -5.718 1.091 1.00 0.08 H new ATOM 0 HA SER A 133 23.000 -7.065 2.242 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.499 -8.384 0.964 1.00 0.13 H new ATOM 0 HB3 SER A 133 21.448 -7.211 -0.337 1.00 0.13 H new ATOM 0 HG SER A 133 22.840 -8.996 -0.818 1.00 1.33 H new ATOM 2063 N LEU A 134 23.247 -4.426 0.508 1.00 0.08 N ATOM 2064 CA LEU A 134 24.173 -3.351 0.214 1.00 0.08 C ATOM 2065 C LEU A 134 24.750 -2.846 1.526 1.00 0.08 C ATOM 2066 O LEU A 134 25.896 -2.405 1.588 1.00 0.10 O ATOM 2067 CB LEU A 134 23.463 -2.209 -0.500 1.00 0.07 C ATOM 2068 CG LEU A 134 23.247 -2.328 -2.003 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.618 -3.644 -2.398 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.391 -1.169 -2.448 1.00 0.08 C ATOM 0 H LEU A 134 22.267 -4.143 0.482 1.00 0.08 H new ATOM 0 HA LEU A 134 24.964 -3.722 -0.437 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.487 -2.078 -0.032 1.00 0.07 H new ATOM 0 HB3 LEU A 134 24.030 -1.296 -0.316 1.00 0.07 H new ATOM 0 HG LEU A 134 24.217 -2.300 -2.499 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.487 -3.675 -3.480 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.265 -4.464 -2.088 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.647 -3.744 -1.912 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.222 -1.233 -3.523 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.434 -1.203 -1.928 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.897 -0.232 -2.215 1.00 0.08 H new ATOM 2082 N GLY A 135 23.933 -2.921 2.576 1.00 0.09 N ATOM 2083 CA GLY A 135 24.381 -2.532 3.894 1.00 0.12 C ATOM 2084 C GLY A 135 25.442 -3.468 4.437 1.00 0.27 C ATOM 2085 O GLY A 135 26.302 -3.013 5.220 1.00 1.05 O ATOM 2086 OXT GLY A 135 25.421 -4.665 4.091 1.00 1.19 O ATOM 0 H GLY A 135 22.967 -3.246 2.531 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.778 -1.518 3.856 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.530 -2.516 4.575 1.00 0.12 H new TER 2090 GLY A 135