USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1037 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 65 GLN : amide:sc= 0.769 K(o=1.6,f=-3!) USER MOD Set 1.2: A 83 SER OG : rot 121:sc= 0.88 USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= -0.103 (180deg=-0.437) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -2.32 K(o=-2.3,f=-0.43) USER MOD Single : A 7 SER OG : rot 73:sc= 0.0254 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 0:sc= 0.845 USER MOD Single : A 23 GLN : amide:sc= -1.09! X(o=-1.1!,f=-0.76) USER MOD Single : A 24 THR OG1 : rot -53:sc= -0.272 USER MOD Single : A 27 THR OG1 : rot 180:sc=0.000649 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.45) USER MOD Single : A 36 ASN : amide:sc= -0.233! C(o=-0.23!,f=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 42 SER OG : rot 74:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0791 (180deg=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0634) USER MOD Single : A 61 GLN : amide:sc= -0.824 K(o=-0.82,f=-6.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -124:sc= -0.448 USER MOD Single : A 89 SER OG : rot 170:sc= -0.151 USER MOD Single : A 95 GLN : amide:sc= -5.38! C(o=-5.4!,f=-10!) USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= -0.327 (180deg=-0.436) USER MOD Single : A 102 SER OG : rot -18:sc= 1.15 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 0:sc= -2.25! USER MOD Single : A 114 ASN : amide:sc= -0.895 X(o=-0.9,f=-1.1) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -172:sc= 0.161 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 27.488 30.072 12.098 1.00 0.00 N ATOM 2 CA LYS A 2 28.564 30.379 11.132 1.00 0.00 C ATOM 3 C LYS A 2 28.892 29.154 10.290 1.00 0.00 C ATOM 4 O LYS A 2 29.162 28.080 10.832 1.00 0.00 O ATOM 5 CB LYS A 2 29.825 30.836 11.870 1.00 0.00 C ATOM 6 CG LYS A 2 29.630 32.083 12.716 1.00 0.00 C ATOM 7 CD LYS A 2 30.876 32.399 13.526 1.00 0.00 C ATOM 8 CE LYS A 2 30.671 33.607 14.423 1.00 0.00 C ATOM 9 NZ LYS A 2 29.489 33.447 15.314 1.00 0.00 N1+ ATOM 0 HA LYS A 2 28.215 31.179 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.172 30.026 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.612 31.024 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.388 32.928 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.783 31.941 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.143 31.535 14.134 1.00 0.00 H new ATOM 0 HD3 LYS A 2 31.712 32.584 12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 2 31.563 33.764 15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 2 30.543 34.498 13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 29.536 34.146 16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 28.618 33.594 14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 29.486 32.489 15.718 1.00 0.00 H new ATOM 25 N VAL A 3 28.848 29.326 8.968 1.00 0.00 N ATOM 26 CA VAL A 3 29.224 28.289 8.001 1.00 0.00 C ATOM 27 C VAL A 3 28.184 27.166 7.914 1.00 0.00 C ATOM 28 O VAL A 3 27.740 26.807 6.823 1.00 0.00 O ATOM 29 CB VAL A 3 30.616 27.682 8.316 1.00 0.00 C ATOM 30 CG1 VAL A 3 30.980 26.601 7.308 1.00 0.00 C ATOM 31 CG2 VAL A 3 31.684 28.767 8.340 1.00 0.00 C ATOM 0 H VAL A 3 28.547 30.198 8.532 1.00 0.00 H new ATOM 0 HA VAL A 3 29.269 28.790 7.034 1.00 0.00 H new ATOM 0 HB VAL A 3 30.566 27.224 9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.960 26.192 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 3 30.236 25.805 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.005 27.031 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.653 28.319 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.726 29.258 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.439 29.502 9.107 1.00 0.00 H new ATOM 41 N GLN A 4 27.780 26.646 9.067 1.00 0.00 N ATOM 42 CA GLN A 4 26.906 25.473 9.146 1.00 0.00 C ATOM 43 C GLN A 4 25.550 25.704 8.472 1.00 0.00 C ATOM 44 O GLN A 4 24.910 24.754 8.027 1.00 0.00 O ATOM 45 CB GLN A 4 26.705 25.064 10.609 1.00 0.00 C ATOM 46 CG GLN A 4 26.084 26.151 11.473 1.00 0.00 C ATOM 47 CD GLN A 4 25.964 25.742 12.927 1.00 0.00 C ATOM 48 OE1 GLN A 4 26.875 25.967 13.723 1.00 0.00 O ATOM 49 NE2 GLN A 4 24.840 25.145 13.284 1.00 0.00 N ATOM 0 H GLN A 4 28.047 27.023 9.976 1.00 0.00 H new ATOM 0 HA GLN A 4 27.400 24.667 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 4 26.070 24.178 10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 4 27.669 24.783 11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 4 26.688 27.055 11.403 1.00 0.00 H new ATOM 0 HG3 GLN A 4 25.095 26.397 11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 4 24.110 24.977 12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 4 24.703 24.852 14.251 1.00 0.00 H new ATOM 58 N GLU A 5 25.126 26.960 8.376 1.00 0.00 N ATOM 59 CA GLU A 5 23.837 27.286 7.768 1.00 0.00 C ATOM 60 C GLU A 5 23.858 26.935 6.288 1.00 0.00 C ATOM 61 O GLU A 5 22.857 26.498 5.723 1.00 0.00 O ATOM 62 CB GLU A 5 23.506 28.775 7.928 1.00 0.00 C ATOM 63 CG GLU A 5 23.568 29.292 9.358 1.00 0.00 C ATOM 64 CD GLU A 5 24.986 29.456 9.865 1.00 0.00 C ATOM 65 OE1 GLU A 5 25.904 29.623 9.033 1.00 0.00 O1- ATOM 66 OE2 GLU A 5 25.192 29.403 11.091 1.00 0.00 O ATOM 0 H GLU A 5 25.653 27.767 8.710 1.00 0.00 H new ATOM 0 HA GLU A 5 23.071 26.703 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 5 24.198 29.354 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.506 28.955 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.054 30.252 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.031 28.604 10.011 1.00 0.00 H new ATOM 73 N GLN A 6 25.015 27.120 5.675 1.00 0.00 N ATOM 74 CA GLN A 6 25.184 26.855 4.256 1.00 0.00 C ATOM 75 C GLN A 6 25.413 25.370 4.016 1.00 0.00 C ATOM 76 O GLN A 6 25.157 24.857 2.925 1.00 0.00 O ATOM 77 CB GLN A 6 26.354 27.673 3.686 1.00 0.00 C ATOM 78 CG GLN A 6 26.072 29.167 3.577 1.00 0.00 C ATOM 79 CD GLN A 6 25.981 29.874 4.920 1.00 0.00 C ATOM 80 OE1 GLN A 6 25.211 30.819 5.085 1.00 0.00 O ATOM 81 NE2 GLN A 6 26.778 29.436 5.887 1.00 0.00 N ATOM 0 H GLN A 6 25.857 27.455 6.142 1.00 0.00 H new ATOM 0 HA GLN A 6 24.271 27.155 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 6 27.230 27.524 4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 6 26.605 27.288 2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 6 26.859 29.633 2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 6 25.137 29.312 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 6 27.404 28.649 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 6 26.764 29.886 6.802 1.00 0.00 H new ATOM 90 N SER A 7 25.875 24.681 5.047 1.00 0.00 N ATOM 91 CA SER A 7 26.139 23.255 4.966 1.00 0.00 C ATOM 92 C SER A 7 24.865 22.461 5.256 1.00 0.00 C ATOM 93 O SER A 7 24.753 21.790 6.282 1.00 0.00 O ATOM 94 CB SER A 7 27.239 22.886 5.959 1.00 0.00 C ATOM 95 OG SER A 7 28.363 23.743 5.808 1.00 0.00 O ATOM 0 H SER A 7 26.076 25.092 5.958 1.00 0.00 H new ATOM 0 HA SER A 7 26.471 23.006 3.958 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.855 22.958 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 7 27.542 21.850 5.805 1.00 0.00 H new ATOM 0 HG SER A 7 28.148 24.630 6.164 1.00 0.00 H new ATOM 101 N VAL A 8 23.904 22.560 4.346 1.00 0.00 N ATOM 102 CA VAL A 8 22.623 21.881 4.499 1.00 0.00 C ATOM 103 C VAL A 8 22.785 20.372 4.346 1.00 0.00 C ATOM 104 O VAL A 8 22.348 19.600 5.202 1.00 0.00 O ATOM 105 CB VAL A 8 21.593 22.389 3.465 1.00 0.00 C ATOM 106 CG1 VAL A 8 20.229 21.751 3.696 1.00 0.00 C ATOM 107 CG2 VAL A 8 21.488 23.906 3.509 1.00 0.00 C ATOM 0 H VAL A 8 23.988 23.107 3.489 1.00 0.00 H new ATOM 0 HA VAL A 8 22.258 22.104 5.501 1.00 0.00 H new ATOM 0 HB VAL A 8 21.940 22.098 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.522 22.125 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 8 20.313 20.668 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.874 22.003 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.757 24.242 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 8 21.172 24.220 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.460 24.345 3.282 1.00 0.00 H new ATOM 117 N GLY A 9 23.421 19.957 3.261 1.00 0.00 N ATOM 118 CA GLY A 9 23.627 18.548 3.018 1.00 0.00 C ATOM 119 C GLY A 9 24.767 18.307 2.055 1.00 0.00 C ATOM 120 O GLY A 9 25.188 19.226 1.351 1.00 0.00 O ATOM 0 H GLY A 9 23.799 20.575 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 9 23.835 18.043 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.713 18.111 2.616 1.00 0.00 H new ATOM 124 N ALA A 10 25.270 17.082 2.023 1.00 0.00 N ATOM 125 CA ALA A 10 26.384 16.736 1.154 1.00 0.00 C ATOM 126 C ALA A 10 26.089 15.452 0.388 1.00 0.00 C ATOM 127 O ALA A 10 26.084 14.360 0.966 1.00 0.00 O ATOM 128 CB ALA A 10 27.669 16.592 1.962 1.00 0.00 C ATOM 0 H ALA A 10 24.923 16.309 2.591 1.00 0.00 H new ATOM 0 HA ALA A 10 26.519 17.543 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 10 28.491 16.333 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 10 27.891 17.534 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.544 15.806 2.707 1.00 0.00 H new ATOM 134 N PRO A 11 25.810 15.569 -0.918 1.00 0.00 N ATOM 135 CA PRO A 11 25.565 14.411 -1.784 1.00 0.00 C ATOM 136 C PRO A 11 26.786 13.496 -1.870 1.00 0.00 C ATOM 137 O PRO A 11 27.915 13.968 -2.019 1.00 0.00 O ATOM 138 CB PRO A 11 25.270 15.034 -3.153 1.00 0.00 C ATOM 139 CG PRO A 11 24.906 16.449 -2.867 1.00 0.00 C ATOM 140 CD PRO A 11 25.699 16.839 -1.656 1.00 0.00 C ATOM 0 HA PRO A 11 24.755 13.786 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 11 26.139 14.976 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 11 24.456 14.512 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 11 25.144 17.093 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 11 23.836 16.548 -2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 11 26.677 17.238 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 11 25.192 17.605 -1.069 1.00 0.00 H new ATOM 148 N PRO A 12 26.574 12.175 -1.760 1.00 0.00 N ATOM 149 CA PRO A 12 27.659 11.193 -1.814 1.00 0.00 C ATOM 150 C PRO A 12 28.238 11.042 -3.220 1.00 0.00 C ATOM 151 O PRO A 12 27.524 10.703 -4.167 1.00 0.00 O ATOM 152 CB PRO A 12 26.987 9.892 -1.362 1.00 0.00 C ATOM 153 CG PRO A 12 25.545 10.067 -1.696 1.00 0.00 C ATOM 154 CD PRO A 12 25.257 11.538 -1.566 1.00 0.00 C ATOM 0 HA PRO A 12 28.505 11.486 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 12 27.410 9.030 -1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 12 27.127 9.725 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 12 25.335 9.718 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 12 24.916 9.487 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.537 11.872 -2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.837 11.778 -0.589 1.00 0.00 H new ATOM 162 N PRO A 13 29.541 11.321 -3.377 1.00 0.00 N ATOM 163 CA PRO A 13 30.242 11.173 -4.655 1.00 0.00 C ATOM 164 C PRO A 13 30.533 9.711 -4.985 1.00 0.00 C ATOM 165 O PRO A 13 30.931 9.380 -6.106 1.00 0.00 O ATOM 166 CB PRO A 13 31.555 11.946 -4.448 1.00 0.00 C ATOM 167 CG PRO A 13 31.422 12.634 -3.127 1.00 0.00 C ATOM 168 CD PRO A 13 30.434 11.831 -2.335 1.00 0.00 C ATOM 0 HA PRO A 13 29.646 11.546 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 13 32.411 11.271 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 13 31.714 12.667 -5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 13 32.383 12.683 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 13 31.076 13.660 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 13 30.916 11.025 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 13 29.902 12.444 -1.607 1.00 0.00 H new ATOM 176 N GLY A 14 30.355 8.842 -3.998 1.00 0.00 N ATOM 177 CA GLY A 14 30.542 7.423 -4.210 1.00 0.00 C ATOM 178 C GLY A 14 29.271 6.759 -4.688 1.00 0.00 C ATOM 179 O GLY A 14 28.180 7.080 -4.214 1.00 0.00 O ATOM 0 H GLY A 14 30.083 9.099 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 14 31.333 7.265 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.870 6.956 -3.281 1.00 0.00 H new ATOM 183 N ARG A 15 29.400 5.843 -5.633 1.00 0.00 N ATOM 184 CA ARG A 15 28.240 5.175 -6.198 1.00 0.00 C ATOM 185 C ARG A 15 28.086 3.771 -5.630 1.00 0.00 C ATOM 186 O ARG A 15 29.072 3.107 -5.301 1.00 0.00 O ATOM 187 CB ARG A 15 28.341 5.107 -7.720 1.00 0.00 C ATOM 188 CG ARG A 15 28.422 6.466 -8.391 1.00 0.00 C ATOM 189 CD ARG A 15 28.401 6.331 -9.901 1.00 0.00 C ATOM 190 NE ARG A 15 28.564 7.615 -10.575 1.00 0.00 N ATOM 191 CZ ARG A 15 28.446 7.779 -11.887 1.00 0.00 C ATOM 192 NH1 ARG A 15 28.123 6.749 -12.663 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 28.643 8.976 -12.419 1.00 0.00 N ATOM 0 H ARG A 15 30.294 5.546 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 15 27.360 5.759 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.223 4.526 -7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 15 27.475 4.572 -8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 15 27.586 7.086 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 15 29.335 6.974 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.197 5.655 -10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 15 27.459 5.878 -10.210 1.00 0.00 H new ATOM 0 HE ARG A 15 28.781 8.433 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.965 5.830 -12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 15 28.033 6.878 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.884 9.766 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 15 28.554 9.107 -13.427 1.00 0.00 H new ATOM 207 N ALA A 16 26.844 3.330 -5.531 1.00 0.00 N ATOM 208 CA ALA A 16 26.518 2.012 -5.013 1.00 0.00 C ATOM 209 C ALA A 16 25.124 1.617 -5.471 1.00 0.00 C ATOM 210 O ALA A 16 24.126 2.058 -4.901 1.00 0.00 O ATOM 211 CB ALA A 16 26.606 1.993 -3.495 1.00 0.00 C ATOM 0 H ALA A 16 26.030 3.878 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 16 27.239 1.292 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 16 26.358 0.997 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 16 27.619 2.252 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.904 2.717 -3.081 1.00 0.00 H new ATOM 217 N ASP A 17 25.058 0.805 -6.512 1.00 0.00 N ATOM 218 CA ASP A 17 23.782 0.422 -7.100 1.00 0.00 C ATOM 219 C ASP A 17 23.645 -1.089 -7.175 1.00 0.00 C ATOM 220 O ASP A 17 24.543 -1.781 -7.658 1.00 0.00 O ATOM 221 CB ASP A 17 23.634 1.021 -8.500 1.00 0.00 C ATOM 222 CG ASP A 17 22.372 0.548 -9.193 1.00 0.00 C ATOM 223 OD1 ASP A 17 21.293 1.104 -8.909 1.00 0.00 O1- ATOM 224 OD2 ASP A 17 22.457 -0.388 -10.018 1.00 0.00 O ATOM 0 H ASP A 17 25.873 0.397 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 17 22.992 0.812 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 17 23.622 2.109 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.501 0.751 -9.103 1.00 0.00 H new ATOM 229 N LYS A 18 22.513 -1.595 -6.706 1.00 0.00 N ATOM 230 CA LYS A 18 22.243 -3.022 -6.732 1.00 0.00 C ATOM 231 C LYS A 18 20.838 -3.295 -7.254 1.00 0.00 C ATOM 232 O LYS A 18 19.856 -3.054 -6.555 1.00 0.00 O ATOM 233 CB LYS A 18 22.412 -3.638 -5.341 1.00 0.00 C ATOM 234 CG LYS A 18 23.854 -3.683 -4.864 1.00 0.00 C ATOM 235 CD LYS A 18 23.980 -4.442 -3.557 1.00 0.00 C ATOM 236 CE LYS A 18 25.435 -4.621 -3.160 1.00 0.00 C ATOM 237 NZ LYS A 18 25.575 -5.430 -1.922 1.00 0.00 N1+ ATOM 0 H LYS A 18 21.764 -1.033 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 18 22.965 -3.484 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 18 21.820 -3.067 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 18 22.010 -4.651 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.476 -4.157 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.228 -2.667 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 18 23.450 -3.906 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.505 -5.418 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.976 -5.105 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.893 -3.644 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.583 -5.529 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.080 -4.956 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.161 -6.372 -2.074 1.00 0.00 H new ATOM 251 N THR A 19 20.768 -3.758 -8.506 1.00 0.00 N ATOM 252 CA THR A 19 19.527 -4.200 -9.168 1.00 0.00 C ATOM 253 C THR A 19 18.499 -3.076 -9.369 1.00 0.00 C ATOM 254 O THR A 19 17.491 -3.272 -10.051 1.00 0.00 O ATOM 255 CB THR A 19 18.852 -5.399 -8.448 1.00 0.00 C ATOM 256 OG1 THR A 19 18.409 -5.038 -7.132 1.00 0.00 O ATOM 257 CG2 THR A 19 19.807 -6.583 -8.353 1.00 0.00 C ATOM 0 H THR A 19 21.589 -3.840 -9.105 1.00 0.00 H new ATOM 0 HA THR A 19 19.857 -4.527 -10.154 1.00 0.00 H new ATOM 0 HB THR A 19 17.984 -5.684 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.626 -4.098 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.311 -7.410 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.100 -6.896 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 19 20.694 -6.291 -7.791 1.00 0.00 H new ATOM 265 N ALA A 20 18.752 -1.899 -8.817 1.00 0.00 N ATOM 266 CA ALA A 20 17.816 -0.793 -8.949 1.00 0.00 C ATOM 267 C ALA A 20 18.194 0.098 -10.117 1.00 0.00 C ATOM 268 O ALA A 20 18.036 1.319 -10.075 1.00 0.00 O ATOM 269 CB ALA A 20 17.738 -0.002 -7.655 1.00 0.00 C ATOM 0 H ALA A 20 19.591 -1.686 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 20 16.826 -1.202 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 20 17.033 0.821 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 20 17.402 -0.655 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 20 18.723 0.396 -7.412 1.00 0.00 H new ATOM 275 N ALA A 21 18.682 -0.535 -11.161 1.00 0.00 N ATOM 276 CA ALA A 21 19.041 0.157 -12.388 1.00 0.00 C ATOM 277 C ALA A 21 18.135 -0.289 -13.540 1.00 0.00 C ATOM 278 O ALA A 21 17.498 0.549 -14.176 1.00 0.00 O ATOM 279 CB ALA A 21 20.514 -0.046 -12.720 1.00 0.00 C ATOM 0 H ALA A 21 18.842 -1.542 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 21 18.888 1.226 -12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 20.755 0.482 -13.642 1.00 0.00 H new ATOM 0 HB2 ALA A 21 21.127 0.344 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.715 -1.110 -12.848 1.00 0.00 H new ATOM 285 N PRO A 22 18.033 -1.608 -13.826 1.00 0.00 N ATOM 286 CA PRO A 22 17.104 -2.100 -14.845 1.00 0.00 C ATOM 287 C PRO A 22 15.654 -2.025 -14.373 1.00 0.00 C ATOM 288 O PRO A 22 14.722 -2.059 -15.177 1.00 0.00 O ATOM 289 CB PRO A 22 17.524 -3.554 -15.049 1.00 0.00 C ATOM 290 CG PRO A 22 18.159 -3.949 -13.763 1.00 0.00 C ATOM 291 CD PRO A 22 18.820 -2.711 -13.228 1.00 0.00 C ATOM 0 HA PRO A 22 17.146 -1.506 -15.758 1.00 0.00 H new ATOM 0 HB2 PRO A 22 16.665 -4.186 -15.277 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.221 -3.652 -15.881 1.00 0.00 H new ATOM 0 HG2 PRO A 22 17.416 -4.328 -13.062 1.00 0.00 H new ATOM 0 HG3 PRO A 22 18.888 -4.745 -13.916 1.00 0.00 H new ATOM 0 HD2 PRO A 22 18.790 -2.680 -12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 22 19.869 -2.659 -13.520 1.00 0.00 H new ATOM 299 N GLN A 23 15.467 -1.929 -13.061 1.00 0.00 N ATOM 300 CA GLN A 23 14.136 -1.815 -12.484 1.00 0.00 C ATOM 301 C GLN A 23 13.996 -0.532 -11.684 1.00 0.00 C ATOM 302 O GLN A 23 13.408 -0.515 -10.606 1.00 0.00 O ATOM 303 CB GLN A 23 13.801 -3.032 -11.616 1.00 0.00 C ATOM 304 CG GLN A 23 13.256 -4.199 -12.420 1.00 0.00 C ATOM 305 CD GLN A 23 11.997 -3.829 -13.187 1.00 0.00 C ATOM 306 OE1 GLN A 23 10.880 -3.977 -12.686 1.00 0.00 O ATOM 307 NE2 GLN A 23 12.165 -3.330 -14.403 1.00 0.00 N ATOM 0 H GLN A 23 16.224 -1.928 -12.377 1.00 0.00 H new ATOM 0 HA GLN A 23 13.423 -1.782 -13.307 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.698 -3.351 -11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.069 -2.744 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.018 -4.543 -13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.040 -5.031 -11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.105 -3.222 -14.785 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.355 -3.054 -14.957 1.00 0.00 H new ATOM 316 N THR A 24 14.544 0.546 -12.220 1.00 0.00 N ATOM 317 CA THR A 24 14.337 1.865 -11.646 1.00 0.00 C ATOM 318 C THR A 24 13.229 2.579 -12.430 1.00 0.00 C ATOM 319 O THR A 24 13.204 3.800 -12.556 1.00 0.00 O ATOM 320 CB THR A 24 15.652 2.697 -11.646 1.00 0.00 C ATOM 321 OG1 THR A 24 15.491 3.913 -10.898 1.00 0.00 O ATOM 322 CG2 THR A 24 16.100 3.033 -13.061 1.00 0.00 C ATOM 0 H THR A 24 15.135 0.534 -13.051 1.00 0.00 H new ATOM 0 HA THR A 24 14.032 1.759 -10.605 1.00 0.00 H new ATOM 0 HB THR A 24 16.418 2.082 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.709 4.401 -11.231 1.00 0.00 H new ATOM 0 HG21 THR A 24 17.021 3.614 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 24 16.276 2.111 -13.616 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.325 3.614 -13.560 1.00 0.00 H new ATOM 330 N ARG A 25 12.313 1.783 -12.970 1.00 0.00 N ATOM 331 CA ARG A 25 11.179 2.309 -13.714 1.00 0.00 C ATOM 332 C ARG A 25 9.972 2.410 -12.794 1.00 0.00 C ATOM 333 O ARG A 25 9.571 3.501 -12.387 1.00 0.00 O ATOM 334 CB ARG A 25 10.853 1.398 -14.904 1.00 0.00 C ATOM 335 CG ARG A 25 12.021 1.179 -15.853 1.00 0.00 C ATOM 336 CD ARG A 25 12.450 2.476 -16.520 1.00 0.00 C ATOM 337 NE ARG A 25 11.363 3.065 -17.303 1.00 0.00 N ATOM 338 CZ ARG A 25 11.069 4.366 -17.317 1.00 0.00 C ATOM 339 NH1 ARG A 25 11.813 5.227 -16.634 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 10.035 4.806 -18.022 1.00 0.00 N ATOM 0 H ARG A 25 12.336 0.765 -12.905 1.00 0.00 H new ATOM 0 HA ARG A 25 11.431 3.299 -14.093 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.518 0.432 -14.528 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.021 1.829 -15.461 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.862 0.756 -15.304 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.740 0.453 -16.615 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.777 3.185 -15.760 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.305 2.287 -17.169 1.00 0.00 H new ATOM 0 HE ARG A 25 10.794 2.441 -17.875 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.613 4.895 -16.096 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.585 6.221 -16.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.464 4.149 -18.554 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.811 5.801 -18.032 1.00 0.00 H new ATOM 354 N LEU A 26 9.400 1.256 -12.478 1.00 0.00 N ATOM 355 CA LEU A 26 8.284 1.170 -11.546 1.00 0.00 C ATOM 356 C LEU A 26 8.440 -0.074 -10.679 1.00 0.00 C ATOM 357 O LEU A 26 7.650 -1.013 -10.783 1.00 0.00 O ATOM 358 CB LEU A 26 6.929 1.117 -12.281 1.00 0.00 C ATOM 359 CG LEU A 26 6.544 2.361 -13.092 1.00 0.00 C ATOM 360 CD1 LEU A 26 7.104 2.287 -14.507 1.00 0.00 C ATOM 361 CD2 LEU A 26 5.030 2.521 -13.122 1.00 0.00 C ATOM 0 H LEU A 26 9.695 0.357 -12.859 1.00 0.00 H new ATOM 0 HA LEU A 26 8.295 2.066 -10.926 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.939 0.260 -12.954 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.147 0.934 -11.544 1.00 0.00 H new ATOM 0 HG LEU A 26 6.979 3.234 -12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.816 3.181 -15.060 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.191 2.221 -14.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.706 1.406 -15.010 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.769 3.407 -13.700 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.580 1.642 -13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.655 2.629 -12.104 1.00 0.00 H new ATOM 373 N THR A 27 9.476 -0.100 -9.849 1.00 0.00 N ATOM 374 CA THR A 27 9.723 -1.251 -8.992 1.00 0.00 C ATOM 375 C THR A 27 8.632 -1.391 -7.921 1.00 0.00 C ATOM 376 O THR A 27 8.341 -0.448 -7.182 1.00 0.00 O ATOM 377 CB THR A 27 11.122 -1.179 -8.327 1.00 0.00 C ATOM 378 OG1 THR A 27 11.329 -2.314 -7.474 1.00 0.00 O ATOM 379 CG2 THR A 27 11.295 0.102 -7.521 1.00 0.00 C ATOM 0 H THR A 27 10.153 0.657 -9.752 1.00 0.00 H new ATOM 0 HA THR A 27 9.697 -2.135 -9.629 1.00 0.00 H new ATOM 0 HB THR A 27 11.863 -1.183 -9.126 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.216 -2.256 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.287 0.117 -7.070 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.182 0.964 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.539 0.143 -6.737 1.00 0.00 H new ATOM 387 N PRO A 28 7.999 -2.576 -7.836 1.00 0.00 N ATOM 388 CA PRO A 28 6.960 -2.854 -6.844 1.00 0.00 C ATOM 389 C PRO A 28 7.541 -3.278 -5.496 1.00 0.00 C ATOM 390 O PRO A 28 6.840 -3.806 -4.628 1.00 0.00 O ATOM 391 CB PRO A 28 6.183 -4.001 -7.483 1.00 0.00 C ATOM 392 CG PRO A 28 7.204 -4.748 -8.273 1.00 0.00 C ATOM 393 CD PRO A 28 8.233 -3.735 -8.718 1.00 0.00 C ATOM 0 HA PRO A 28 6.353 -1.977 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.722 -4.637 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.381 -3.630 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.666 -5.529 -7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.746 -5.238 -9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.246 -4.121 -8.609 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.104 -3.470 -9.767 1.00 0.00 H new ATOM 401 N TYR A 29 8.831 -3.044 -5.336 1.00 0.00 N ATOM 402 CA TYR A 29 9.525 -3.355 -4.094 1.00 0.00 C ATOM 403 C TYR A 29 9.783 -2.086 -3.296 1.00 0.00 C ATOM 404 O TYR A 29 10.765 -1.982 -2.565 1.00 0.00 O ATOM 405 CB TYR A 29 10.840 -4.089 -4.371 1.00 0.00 C ATOM 406 CG TYR A 29 10.717 -5.596 -4.292 1.00 0.00 C ATOM 407 CD1 TYR A 29 10.230 -6.336 -5.363 1.00 0.00 C ATOM 408 CD2 TYR A 29 11.078 -6.274 -3.136 1.00 0.00 C ATOM 409 CE1 TYR A 29 10.111 -7.712 -5.282 1.00 0.00 C ATOM 410 CE2 TYR A 29 10.959 -7.648 -3.048 1.00 0.00 C ATOM 411 CZ TYR A 29 10.476 -8.361 -4.123 1.00 0.00 C ATOM 412 OH TYR A 29 10.350 -9.729 -4.031 1.00 0.00 O ATOM 0 H TYR A 29 9.426 -2.636 -6.057 1.00 0.00 H new ATOM 0 HA TYR A 29 8.886 -4.013 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 29 11.199 -3.813 -5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.591 -3.755 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.940 -5.829 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.458 -5.719 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.734 -8.275 -6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 29 11.243 -8.160 -2.141 1.00 0.00 H new ATOM 0 HH TYR A 29 10.653 -10.027 -3.148 1.00 0.00 H new ATOM 422 N ALA A 30 8.879 -1.128 -3.436 1.00 0.00 N ATOM 423 CA ALA A 30 8.980 0.136 -2.721 1.00 0.00 C ATOM 424 C ALA A 30 8.302 0.043 -1.357 1.00 0.00 C ATOM 425 O ALA A 30 7.938 1.056 -0.755 1.00 0.00 O ATOM 426 CB ALA A 30 8.368 1.255 -3.547 1.00 0.00 C ATOM 0 H ALA A 30 8.062 -1.203 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 30 10.035 0.358 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.449 2.196 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.898 1.338 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.317 1.035 -3.736 1.00 0.00 H new ATOM 432 N GLN A 31 8.134 -1.181 -0.874 1.00 0.00 N ATOM 433 CA GLN A 31 7.519 -1.420 0.422 1.00 0.00 C ATOM 434 C GLN A 31 8.553 -1.226 1.527 1.00 0.00 C ATOM 435 O GLN A 31 9.039 -2.185 2.126 1.00 0.00 O ATOM 436 CB GLN A 31 6.930 -2.833 0.477 1.00 0.00 C ATOM 437 CG GLN A 31 6.055 -3.084 1.695 1.00 0.00 C ATOM 438 CD GLN A 31 4.829 -2.193 1.716 1.00 0.00 C ATOM 439 OE1 GLN A 31 4.860 -1.087 2.253 1.00 0.00 O ATOM 440 NE2 GLN A 31 3.740 -2.669 1.129 1.00 0.00 N ATOM 0 H GLN A 31 8.418 -2.028 -1.366 1.00 0.00 H new ATOM 0 HA GLN A 31 6.709 -0.706 0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.342 -3.007 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.745 -3.557 0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.743 -4.128 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.639 -2.916 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.757 -3.592 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.885 -2.112 1.111 1.00 0.00 H new ATOM 449 N ALA A 32 8.900 0.027 1.774 1.00 0.00 N ATOM 450 CA ALA A 32 9.897 0.362 2.778 1.00 0.00 C ATOM 451 C ALA A 32 9.261 0.510 4.155 1.00 0.00 C ATOM 452 O ALA A 32 9.955 0.708 5.151 1.00 0.00 O ATOM 453 CB ALA A 32 10.624 1.641 2.390 1.00 0.00 C ATOM 0 H ALA A 32 8.504 0.833 1.290 1.00 0.00 H new ATOM 0 HA ALA A 32 10.618 -0.454 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.368 1.881 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.119 1.501 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.907 2.458 2.313 1.00 0.00 H new ATOM 459 N GLY A 33 7.941 0.411 4.207 1.00 0.00 N ATOM 460 CA GLY A 33 7.237 0.567 5.461 1.00 0.00 C ATOM 461 C GLY A 33 6.615 -0.729 5.932 1.00 0.00 C ATOM 462 O GLY A 33 5.737 -1.279 5.269 1.00 0.00 O ATOM 0 H GLY A 33 7.344 0.225 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.928 0.934 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.459 1.321 5.347 1.00 0.00 H new ATOM 466 N GLU A 34 7.080 -1.231 7.068 1.00 0.00 N ATOM 467 CA GLU A 34 6.515 -2.441 7.650 1.00 0.00 C ATOM 468 C GLU A 34 5.396 -2.089 8.624 1.00 0.00 C ATOM 469 O GLU A 34 4.765 -2.965 9.216 1.00 0.00 O ATOM 470 CB GLU A 34 7.589 -3.300 8.340 1.00 0.00 C ATOM 471 CG GLU A 34 8.427 -2.571 9.381 1.00 0.00 C ATOM 472 CD GLU A 34 9.480 -1.675 8.763 1.00 0.00 C ATOM 473 OE1 GLU A 34 10.519 -2.196 8.307 1.00 0.00 O1- ATOM 474 OE2 GLU A 34 9.272 -0.443 8.729 1.00 0.00 O ATOM 0 H GLU A 34 7.845 -0.821 7.604 1.00 0.00 H new ATOM 0 HA GLU A 34 6.099 -3.036 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.101 -4.149 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.255 -3.703 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.772 -1.972 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.912 -3.302 10.027 1.00 0.00 H new ATOM 481 N ASP A 35 5.166 -0.796 8.790 1.00 0.00 N ATOM 482 CA ASP A 35 4.040 -0.306 9.573 1.00 0.00 C ATOM 483 C ASP A 35 2.899 0.044 8.633 1.00 0.00 C ATOM 484 O ASP A 35 3.050 0.892 7.758 1.00 0.00 O ATOM 485 CB ASP A 35 4.441 0.921 10.403 1.00 0.00 C ATOM 486 CG ASP A 35 3.285 1.490 11.206 1.00 0.00 C ATOM 487 OD1 ASP A 35 2.754 0.776 12.081 1.00 0.00 O ATOM 488 OD2 ASP A 35 2.906 2.658 10.981 1.00 0.00 O1- ATOM 0 H ASP A 35 5.749 -0.061 8.390 1.00 0.00 H new ATOM 0 HA ASP A 35 3.721 -1.086 10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.249 0.647 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.831 1.692 9.738 1.00 0.00 H new ATOM 493 N ASN A 36 1.765 -0.620 8.797 1.00 0.00 N ATOM 494 CA ASN A 36 0.650 -0.447 7.875 1.00 0.00 C ATOM 495 C ASN A 36 -0.018 0.908 8.084 1.00 0.00 C ATOM 496 O ASN A 36 -0.551 1.194 9.156 1.00 0.00 O ATOM 497 CB ASN A 36 -0.379 -1.566 8.037 1.00 0.00 C ATOM 498 CG ASN A 36 -1.372 -1.608 6.889 1.00 0.00 C ATOM 499 OD1 ASN A 36 -2.545 -1.899 7.084 1.00 0.00 O ATOM 500 ND2 ASN A 36 -0.906 -1.340 5.678 1.00 0.00 N ATOM 0 H ASN A 36 1.592 -1.280 9.555 1.00 0.00 H new ATOM 0 HA ASN A 36 1.050 -0.491 6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.137 -2.524 8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.917 -1.428 8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.531 -1.373 4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.077 -1.101 5.551 1.00 0.00 H new ATOM 507 N TRP A 37 -0.005 1.726 7.044 1.00 0.00 N ATOM 508 CA TRP A 37 -0.496 3.098 7.128 1.00 0.00 C ATOM 509 C TRP A 37 -2.016 3.167 6.980 1.00 0.00 C ATOM 510 O TRP A 37 -2.548 4.204 6.602 1.00 0.00 O ATOM 511 CB TRP A 37 0.139 3.946 6.020 1.00 0.00 C ATOM 512 CG TRP A 37 1.595 3.682 5.812 1.00 0.00 C ATOM 513 CD1 TRP A 37 2.607 3.895 6.701 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.200 3.162 4.625 1.00 0.00 C ATOM 515 NE1 TRP A 37 3.809 3.529 6.140 1.00 0.00 N ATOM 516 CE2 TRP A 37 3.583 3.075 4.865 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.701 2.756 3.384 1.00 0.00 C ATOM 518 CZ2 TRP A 37 4.474 2.599 3.904 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.585 2.286 2.434 1.00 0.00 C ATOM 520 CH2 TRP A 37 3.956 2.209 2.697 1.00 0.00 C ATOM 0 H TRP A 37 0.343 1.463 6.122 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.223 3.481 8.111 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.391 3.760 5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.002 5.000 6.260 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.483 4.292 7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.719 3.586 6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.643 2.809 3.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.534 2.540 4.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.211 1.972 1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.621 1.834 1.933 1.00 0.00 H new ATOM 531 N ARG A 38 -2.714 2.085 7.307 1.00 0.00 N ATOM 532 CA ARG A 38 -4.145 1.996 7.010 1.00 0.00 C ATOM 533 C ARG A 38 -4.947 2.975 7.846 1.00 0.00 C ATOM 534 O ARG A 38 -5.929 3.535 7.373 1.00 0.00 O ATOM 535 CB ARG A 38 -4.699 0.578 7.199 1.00 0.00 C ATOM 536 CG ARG A 38 -4.559 0.015 8.607 1.00 0.00 C ATOM 537 CD ARG A 38 -5.397 -1.250 8.783 1.00 0.00 C ATOM 538 NE ARG A 38 -5.144 -2.228 7.723 1.00 0.00 N ATOM 539 CZ ARG A 38 -5.920 -3.284 7.462 1.00 0.00 C ATOM 540 NH1 ARG A 38 -6.951 -3.584 8.245 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -5.647 -4.055 6.421 1.00 0.00 N ATOM 0 H ARG A 38 -2.322 1.266 7.772 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.250 2.258 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.754 0.577 6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.190 -0.090 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.512 -0.209 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.871 0.765 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.176 -1.699 9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.455 -0.986 8.788 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.316 -2.094 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.159 -3.005 9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.534 -4.393 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.848 -3.841 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.235 -4.863 6.216 1.00 0.00 H new ATOM 555 N SER A 39 -4.525 3.184 9.081 1.00 0.00 N ATOM 556 CA SER A 39 -5.184 4.130 9.959 1.00 0.00 C ATOM 557 C SER A 39 -5.068 5.540 9.393 1.00 0.00 C ATOM 558 O SER A 39 -6.027 6.313 9.401 1.00 0.00 O ATOM 559 CB SER A 39 -4.556 4.050 11.346 1.00 0.00 C ATOM 560 OG SER A 39 -3.155 3.866 11.240 1.00 0.00 O ATOM 0 H SER A 39 -3.725 2.708 9.498 1.00 0.00 H new ATOM 0 HA SER A 39 -6.243 3.883 10.035 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.769 4.963 11.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.997 3.225 11.906 1.00 0.00 H new ATOM 0 HG SER A 39 -2.763 3.818 12.137 1.00 0.00 H new ATOM 566 N ARG A 40 -3.893 5.842 8.858 1.00 0.00 N ATOM 567 CA ARG A 40 -3.605 7.140 8.309 1.00 0.00 C ATOM 568 C ARG A 40 -4.296 7.308 6.958 1.00 0.00 C ATOM 569 O ARG A 40 -4.923 8.330 6.678 1.00 0.00 O ATOM 570 CB ARG A 40 -2.097 7.261 8.149 1.00 0.00 C ATOM 571 CG ARG A 40 -1.305 6.927 9.405 1.00 0.00 C ATOM 572 CD ARG A 40 -1.524 7.956 10.501 1.00 0.00 C ATOM 573 NE ARG A 40 -1.109 9.295 10.083 1.00 0.00 N ATOM 574 CZ ARG A 40 0.138 9.759 10.198 1.00 0.00 C ATOM 575 NH1 ARG A 40 1.092 8.986 10.708 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 0.432 10.992 9.807 1.00 0.00 N ATOM 0 H ARG A 40 -3.116 5.184 8.797 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.975 7.920 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.775 6.601 7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.856 8.279 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.598 5.942 9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.244 6.875 9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.578 7.973 10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.965 7.664 11.390 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.814 9.911 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.872 8.038 11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.044 9.341 10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.296 11.590 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.386 11.342 9.897 1.00 0.00 H new ATOM 590 N ILE A 41 -4.166 6.279 6.129 1.00 0.00 N ATOM 591 CA ILE A 41 -4.789 6.240 4.812 1.00 0.00 C ATOM 592 C ILE A 41 -6.310 6.413 4.930 1.00 0.00 C ATOM 593 O ILE A 41 -6.914 7.156 4.164 1.00 0.00 O ATOM 594 CB ILE A 41 -4.470 4.897 4.104 1.00 0.00 C ATOM 595 CG1 ILE A 41 -3.003 4.865 3.666 1.00 0.00 C ATOM 596 CG2 ILE A 41 -5.393 4.656 2.918 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.578 3.552 3.041 1.00 0.00 C ATOM 0 H ILE A 41 -3.623 5.445 6.353 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.385 7.061 4.220 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.641 4.092 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.830 5.669 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.371 5.066 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.140 3.706 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.427 4.626 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.274 5.463 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.527 3.607 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.718 2.745 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.183 3.358 2.155 1.00 0.00 H new ATOM 609 N SER A 42 -6.920 5.734 5.905 1.00 0.00 N ATOM 610 CA SER A 42 -8.365 5.829 6.123 1.00 0.00 C ATOM 611 C SER A 42 -8.794 7.268 6.425 1.00 0.00 C ATOM 612 O SER A 42 -9.786 7.757 5.875 1.00 0.00 O ATOM 613 CB SER A 42 -8.799 4.903 7.259 1.00 0.00 C ATOM 614 OG SER A 42 -8.532 3.548 6.941 1.00 0.00 O ATOM 0 H SER A 42 -6.437 5.114 6.555 1.00 0.00 H new ATOM 0 HA SER A 42 -8.857 5.516 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.275 5.175 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.864 5.032 7.451 1.00 0.00 H new ATOM 0 HG SER A 42 -7.569 3.381 7.005 1.00 0.00 H new ATOM 620 N GLY A 43 -8.038 7.945 7.287 1.00 0.00 N ATOM 621 CA GLY A 43 -8.325 9.336 7.588 1.00 0.00 C ATOM 622 C GLY A 43 -8.160 10.214 6.363 1.00 0.00 C ATOM 623 O GLY A 43 -8.889 11.191 6.174 1.00 0.00 O ATOM 0 H GLY A 43 -7.235 7.556 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.343 9.425 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.660 9.683 8.378 1.00 0.00 H new ATOM 627 N ARG A 44 -7.203 9.850 5.521 1.00 0.00 N ATOM 628 CA ARG A 44 -6.956 10.562 4.284 1.00 0.00 C ATOM 629 C ARG A 44 -8.095 10.330 3.304 1.00 0.00 C ATOM 630 O ARG A 44 -8.467 11.223 2.554 1.00 0.00 O ATOM 631 CB ARG A 44 -5.653 10.083 3.666 1.00 0.00 C ATOM 632 CG ARG A 44 -4.994 11.097 2.763 1.00 0.00 C ATOM 633 CD ARG A 44 -3.539 10.741 2.560 1.00 0.00 C ATOM 634 NE ARG A 44 -2.853 11.698 1.693 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.322 12.841 2.125 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.437 13.200 3.401 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.686 13.637 1.275 1.00 0.00 N ATOM 0 H ARG A 44 -6.581 9.057 5.679 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.887 11.628 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.960 9.818 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.845 9.174 3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.507 11.128 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.076 12.092 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.037 10.704 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.468 9.744 2.126 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.777 11.478 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.935 12.598 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.027 14.077 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.604 13.373 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.279 14.513 1.604 1.00 0.00 H new ATOM 651 N LEU A 45 -8.647 9.122 3.322 1.00 0.00 N ATOM 652 CA LEU A 45 -9.740 8.761 2.440 1.00 0.00 C ATOM 653 C LEU A 45 -10.962 9.604 2.768 1.00 0.00 C ATOM 654 O LEU A 45 -11.757 9.937 1.901 1.00 0.00 O ATOM 655 CB LEU A 45 -10.055 7.274 2.603 1.00 0.00 C ATOM 656 CG LEU A 45 -10.223 6.500 1.306 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.949 5.025 1.537 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.615 6.700 0.741 1.00 0.00 C ATOM 0 H LEU A 45 -8.349 8.372 3.946 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.455 8.949 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.256 6.811 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.970 7.175 3.187 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.503 6.879 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.073 4.481 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.929 4.897 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.648 4.637 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.715 6.138 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.354 6.347 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.779 7.759 0.543 1.00 0.00 H new ATOM 670 N ASN A 46 -11.083 9.957 4.039 1.00 0.00 N ATOM 671 CA ASN A 46 -12.168 10.810 4.510 1.00 0.00 C ATOM 672 C ASN A 46 -11.956 12.231 4.008 1.00 0.00 C ATOM 673 O ASN A 46 -12.906 12.974 3.764 1.00 0.00 O ATOM 674 CB ASN A 46 -12.247 10.771 6.041 1.00 0.00 C ATOM 675 CG ASN A 46 -13.455 11.507 6.585 1.00 0.00 C ATOM 676 OD1 ASN A 46 -14.550 10.955 6.652 1.00 0.00 O ATOM 677 ND2 ASN A 46 -13.261 12.743 7.008 1.00 0.00 N ATOM 0 H ASN A 46 -10.436 9.663 4.771 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.115 10.442 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.280 9.733 6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.341 11.210 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.036 13.273 7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.336 13.168 6.936 1.00 0.00 H new ATOM 684 N ARG A 47 -10.689 12.589 3.852 1.00 0.00 N ATOM 685 CA ARG A 47 -10.301 13.839 3.218 1.00 0.00 C ATOM 686 C ARG A 47 -10.606 13.778 1.720 1.00 0.00 C ATOM 687 O ARG A 47 -10.893 14.795 1.085 1.00 0.00 O ATOM 688 CB ARG A 47 -8.806 14.092 3.462 1.00 0.00 C ATOM 689 CG ARG A 47 -8.182 15.122 2.538 1.00 0.00 C ATOM 690 CD ARG A 47 -6.710 15.321 2.849 1.00 0.00 C ATOM 691 NE ARG A 47 -6.054 16.153 1.844 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.884 16.765 2.030 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.265 16.696 3.202 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.338 17.467 1.046 1.00 0.00 N ATOM 0 H ARG A 47 -9.901 12.020 4.162 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.870 14.663 3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.669 14.418 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.268 13.150 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.297 14.802 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.709 16.071 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.605 15.784 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.214 14.352 2.899 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.519 16.273 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.684 16.171 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.370 17.167 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.813 17.539 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.443 17.935 1.189 1.00 0.00 H new ATOM 708 N PHE A 48 -10.563 12.569 1.170 1.00 0.00 N ATOM 709 CA PHE A 48 -10.861 12.351 -0.237 1.00 0.00 C ATOM 710 C PHE A 48 -12.289 11.843 -0.427 1.00 0.00 C ATOM 711 O PHE A 48 -12.585 11.179 -1.424 1.00 0.00 O ATOM 712 CB PHE A 48 -9.874 11.357 -0.860 1.00 0.00 C ATOM 713 CG PHE A 48 -8.484 11.903 -1.044 1.00 0.00 C ATOM 714 CD1 PHE A 48 -8.234 12.893 -1.980 1.00 0.00 C ATOM 715 CD2 PHE A 48 -7.426 11.417 -0.293 1.00 0.00 C ATOM 716 CE1 PHE A 48 -6.957 13.388 -2.160 1.00 0.00 C ATOM 717 CE2 PHE A 48 -6.148 11.911 -0.468 1.00 0.00 C ATOM 718 CZ PHE A 48 -5.913 12.896 -1.403 1.00 0.00 C ATOM 0 H PHE A 48 -10.323 11.721 1.683 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.761 13.312 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.823 10.469 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.259 11.039 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.046 13.282 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.603 10.642 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.775 14.160 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.333 11.526 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.914 13.282 -1.543 1.00 0.00 H new ATOM 728 N LYS A 49 -13.158 12.165 0.534 1.00 0.00 N ATOM 729 CA LYS A 49 -14.563 11.757 0.510 1.00 0.00 C ATOM 730 C LYS A 49 -14.704 10.269 0.841 1.00 0.00 C ATOM 731 O LYS A 49 -14.443 9.397 0.010 1.00 0.00 O ATOM 732 CB LYS A 49 -15.207 12.101 -0.842 1.00 0.00 C ATOM 733 CG LYS A 49 -16.651 11.649 -0.991 1.00 0.00 C ATOM 734 CD LYS A 49 -16.765 10.469 -1.942 1.00 0.00 C ATOM 735 CE LYS A 49 -18.212 10.137 -2.261 1.00 0.00 C ATOM 736 NZ LYS A 49 -18.318 9.035 -3.256 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.905 12.718 1.353 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.097 12.315 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.162 13.180 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.615 11.648 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.050 11.372 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.257 12.476 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.232 10.694 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.282 9.598 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.730 9.852 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.712 11.025 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.321 8.836 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.845 9.317 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.862 8.180 -2.877 1.00 0.00 H new ATOM 750 N ARG A 50 -15.126 10.000 2.068 1.00 0.00 N ATOM 751 CA ARG A 50 -15.239 8.641 2.572 1.00 0.00 C ATOM 752 C ARG A 50 -16.527 8.480 3.362 1.00 0.00 C ATOM 753 O ARG A 50 -16.665 9.021 4.461 1.00 0.00 O ATOM 754 CB ARG A 50 -14.043 8.326 3.468 1.00 0.00 C ATOM 755 CG ARG A 50 -14.039 6.926 4.059 1.00 0.00 C ATOM 756 CD ARG A 50 -12.951 6.797 5.114 1.00 0.00 C ATOM 757 NE ARG A 50 -12.833 5.441 5.654 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.856 5.157 6.961 1.00 0.00 C ATOM 759 NH1 ARG A 50 -13.120 6.109 7.848 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.633 3.915 7.380 1.00 0.00 N ATOM 0 H ARG A 50 -15.399 10.717 2.740 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.254 7.950 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.129 8.464 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.018 9.049 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.011 6.709 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.877 6.192 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.996 7.094 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.160 7.490 5.929 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.727 4.669 4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.306 7.061 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.137 5.888 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.444 3.175 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.651 3.702 8.377 1.00 0.00 H new ATOM 774 N TYR A 51 -17.471 7.764 2.785 1.00 0.00 N ATOM 775 CA TYR A 51 -18.706 7.431 3.472 1.00 0.00 C ATOM 776 C TYR A 51 -18.380 6.591 4.706 1.00 0.00 C ATOM 777 O TYR A 51 -17.551 5.677 4.629 1.00 0.00 O ATOM 778 CB TYR A 51 -19.618 6.650 2.522 1.00 0.00 C ATOM 779 CG TYR A 51 -21.094 6.789 2.829 1.00 0.00 C ATOM 780 CD1 TYR A 51 -21.712 5.987 3.780 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.870 7.732 2.164 1.00 0.00 C ATOM 782 CE1 TYR A 51 -23.059 6.124 4.062 1.00 0.00 C ATOM 783 CE2 TYR A 51 -23.216 7.872 2.439 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.805 7.069 3.388 1.00 0.00 C ATOM 785 OH TYR A 51 -25.144 7.213 3.670 1.00 0.00 O ATOM 0 H TYR A 51 -17.407 7.399 1.835 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.219 8.340 3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -19.437 6.988 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.347 5.595 2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -21.131 5.245 4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.412 8.366 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -23.525 5.495 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.804 8.609 1.911 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.522 7.922 3.109 1.00 0.00 H new ATOM 795 N PRO A 52 -19.000 6.915 5.867 1.00 0.00 N ATOM 796 CA PRO A 52 -18.762 6.199 7.128 1.00 0.00 C ATOM 797 C PRO A 52 -18.747 4.688 6.934 1.00 0.00 C ATOM 798 O PRO A 52 -19.692 4.108 6.406 1.00 0.00 O ATOM 799 CB PRO A 52 -19.954 6.621 7.982 1.00 0.00 C ATOM 800 CG PRO A 52 -20.268 8.001 7.516 1.00 0.00 C ATOM 801 CD PRO A 52 -19.964 8.021 6.041 1.00 0.00 C ATOM 0 HA PRO A 52 -17.794 6.435 7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.802 5.951 7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.708 6.606 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.313 8.247 7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.667 8.739 8.048 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.863 7.866 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.538 8.976 5.733 1.00 0.00 H new ATOM 809 N LYS A 53 -17.702 4.050 7.440 1.00 0.00 N ATOM 810 CA LYS A 53 -17.364 2.692 7.041 1.00 0.00 C ATOM 811 C LYS A 53 -18.353 1.669 7.590 1.00 0.00 C ATOM 812 O LYS A 53 -18.518 0.596 7.007 1.00 0.00 O ATOM 813 CB LYS A 53 -15.949 2.360 7.516 1.00 0.00 C ATOM 814 CG LYS A 53 -15.201 1.373 6.628 1.00 0.00 C ATOM 815 CD LYS A 53 -14.786 2.000 5.302 1.00 0.00 C ATOM 816 CE LYS A 53 -15.847 1.831 4.223 1.00 0.00 C ATOM 817 NZ LYS A 53 -16.018 0.403 3.839 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.070 4.454 8.132 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.415 2.640 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.373 3.284 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.004 1.952 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.316 1.013 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.833 0.506 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.589 3.062 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.854 1.547 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.797 2.228 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.569 2.413 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.502 0.346 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.085 -0.051 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.586 -0.085 4.561 1.00 0.00 H new ATOM 831 N ASP A 54 -19.012 1.998 8.696 1.00 0.00 N ATOM 832 CA ASP A 54 -19.985 1.088 9.296 1.00 0.00 C ATOM 833 C ASP A 54 -21.193 0.917 8.390 1.00 0.00 C ATOM 834 O ASP A 54 -21.799 -0.153 8.338 1.00 0.00 O ATOM 835 CB ASP A 54 -20.436 1.572 10.676 1.00 0.00 C ATOM 836 CG ASP A 54 -19.378 1.369 11.738 1.00 0.00 C ATOM 837 OD1 ASP A 54 -18.982 0.209 11.978 1.00 0.00 O ATOM 838 OD2 ASP A 54 -18.946 2.368 12.349 1.00 0.00 O1- ATOM 0 H ASP A 54 -18.893 2.881 9.193 1.00 0.00 H new ATOM 0 HA ASP A 54 -19.491 0.124 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.691 2.630 10.620 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.343 1.040 10.965 1.00 0.00 H new ATOM 843 N ALA A 55 -21.538 1.978 7.674 1.00 0.00 N ATOM 844 CA ALA A 55 -22.620 1.923 6.704 1.00 0.00 C ATOM 845 C ALA A 55 -22.247 1.012 5.544 1.00 0.00 C ATOM 846 O ALA A 55 -23.103 0.376 4.934 1.00 0.00 O ATOM 847 CB ALA A 55 -22.955 3.319 6.208 1.00 0.00 C ATOM 0 H ALA A 55 -21.083 2.888 7.748 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.505 1.511 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.767 3.262 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.263 3.940 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.076 3.758 5.736 1.00 0.00 H new ATOM 853 N LEU A 56 -20.955 0.948 5.252 1.00 0.00 N ATOM 854 CA LEU A 56 -20.461 0.087 4.187 1.00 0.00 C ATOM 855 C LEU A 56 -20.390 -1.359 4.652 1.00 0.00 C ATOM 856 O LEU A 56 -20.748 -2.256 3.920 1.00 0.00 O ATOM 857 CB LEU A 56 -19.064 0.514 3.706 1.00 0.00 C ATOM 858 CG LEU A 56 -18.969 1.812 2.896 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.860 1.763 1.677 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.309 3.016 3.746 1.00 0.00 C ATOM 0 H LEU A 56 -20.232 1.480 5.736 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.164 0.181 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.421 0.614 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.654 -0.294 3.100 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.936 1.910 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.771 2.698 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.558 0.933 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.895 1.623 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -19.232 3.921 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.326 2.918 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.614 3.078 4.583 1.00 0.00 H new ATOM 872 N ARG A 57 -19.932 -1.589 5.874 1.00 0.00 N ATOM 873 CA ARG A 57 -19.726 -2.955 6.353 1.00 0.00 C ATOM 874 C ARG A 57 -21.043 -3.645 6.696 1.00 0.00 C ATOM 875 O ARG A 57 -21.080 -4.855 6.919 1.00 0.00 O ATOM 876 CB ARG A 57 -18.794 -2.966 7.559 1.00 0.00 C ATOM 877 CG ARG A 57 -17.424 -2.384 7.256 1.00 0.00 C ATOM 878 CD ARG A 57 -16.460 -2.603 8.408 1.00 0.00 C ATOM 879 NE ARG A 57 -16.898 -1.928 9.630 1.00 0.00 N ATOM 880 CZ ARG A 57 -16.081 -1.603 10.634 1.00 0.00 C ATOM 881 NH1 ARG A 57 -14.795 -1.934 10.584 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -16.553 -0.958 11.694 1.00 0.00 N ATOM 0 H ARG A 57 -19.697 -0.860 6.547 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.263 -3.515 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.252 -2.400 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.677 -3.991 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.024 -2.844 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.517 -1.317 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.362 -3.672 8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.472 -2.238 8.127 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.886 -1.692 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.429 -2.438 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.174 -1.684 11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.541 -0.710 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.927 -0.710 12.461 1.00 0.00 H new ATOM 896 N LEU A 58 -22.117 -2.872 6.732 1.00 0.00 N ATOM 897 CA LEU A 58 -23.447 -3.415 6.969 1.00 0.00 C ATOM 898 C LEU A 58 -24.242 -3.428 5.662 1.00 0.00 C ATOM 899 O LEU A 58 -25.463 -3.553 5.656 1.00 0.00 O ATOM 900 CB LEU A 58 -24.171 -2.576 8.029 1.00 0.00 C ATOM 901 CG LEU A 58 -25.507 -3.139 8.520 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.293 -4.449 9.261 1.00 0.00 C ATOM 903 CD2 LEU A 58 -26.217 -2.128 9.406 1.00 0.00 C ATOM 0 H LEU A 58 -22.094 -1.861 6.599 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.359 -4.438 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -23.509 -2.458 8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -24.345 -1.580 7.622 1.00 0.00 H new ATOM 0 HG LEU A 58 -26.139 -3.337 7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -26.253 -4.835 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -24.828 -5.174 8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -24.644 -4.279 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.165 -2.545 9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -25.592 -1.898 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -26.404 -1.216 8.839 1.00 0.00 H new ATOM 915 N LYS A 59 -23.527 -3.306 4.552 1.00 0.00 N ATOM 916 CA LYS A 59 -24.151 -3.195 3.239 1.00 0.00 C ATOM 917 C LYS A 59 -23.289 -3.878 2.182 1.00 0.00 C ATOM 918 O LYS A 59 -23.750 -4.746 1.442 1.00 0.00 O ATOM 919 CB LYS A 59 -24.337 -1.711 2.900 1.00 0.00 C ATOM 920 CG LYS A 59 -24.868 -1.447 1.503 1.00 0.00 C ATOM 921 CD LYS A 59 -25.115 0.038 1.280 1.00 0.00 C ATOM 922 CE LYS A 59 -26.209 0.571 2.197 1.00 0.00 C ATOM 923 NZ LYS A 59 -27.548 0.023 1.850 1.00 0.00 N1+ ATOM 0 H LYS A 59 -22.507 -3.281 4.534 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.122 -3.689 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.021 -1.269 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.380 -1.203 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.155 -1.815 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.796 -1.999 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.192 0.591 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.396 0.208 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.971 0.317 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -26.236 1.659 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -28.280 0.523 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.723 0.153 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.578 -0.991 2.080 1.00 0.00 H new ATOM 937 N ARG A 60 -22.036 -3.468 2.131 1.00 0.00 N ATOM 938 CA ARG A 60 -21.054 -4.029 1.226 1.00 0.00 C ATOM 939 C ARG A 60 -19.841 -4.473 2.030 1.00 0.00 C ATOM 940 O ARG A 60 -18.859 -3.736 2.154 1.00 0.00 O ATOM 941 CB ARG A 60 -20.606 -2.983 0.208 1.00 0.00 C ATOM 942 CG ARG A 60 -21.738 -2.216 -0.447 1.00 0.00 C ATOM 943 CD ARG A 60 -22.499 -3.059 -1.450 1.00 0.00 C ATOM 944 NE ARG A 60 -23.085 -2.225 -2.496 1.00 0.00 N ATOM 945 CZ ARG A 60 -23.927 -2.664 -3.421 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.383 -3.909 -3.375 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -24.329 -1.842 -4.383 1.00 0.00 N ATOM 0 H ARG A 60 -21.668 -2.726 2.726 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.500 -4.873 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -19.943 -2.274 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.022 -3.477 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.425 -1.860 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.335 -1.335 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.828 -3.792 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -23.285 -3.616 -0.940 1.00 0.00 H new ATOM 0 HE ARG A 60 -22.829 -1.238 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.086 -4.534 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.031 -4.242 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -23.990 -0.880 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -24.977 -2.172 -5.098 1.00 0.00 H new ATOM 961 N GLN A 61 -19.919 -5.660 2.590 1.00 0.00 N ATOM 962 CA GLN A 61 -18.838 -6.186 3.397 1.00 0.00 C ATOM 963 C GLN A 61 -18.001 -7.164 2.594 1.00 0.00 C ATOM 964 O GLN A 61 -18.537 -7.990 1.850 1.00 0.00 O ATOM 965 CB GLN A 61 -19.370 -6.863 4.666 1.00 0.00 C ATOM 966 CG GLN A 61 -20.434 -7.927 4.430 1.00 0.00 C ATOM 967 CD GLN A 61 -21.818 -7.343 4.213 1.00 0.00 C ATOM 968 OE1 GLN A 61 -22.208 -7.048 3.088 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.569 -7.179 5.288 1.00 0.00 N ATOM 0 H GLN A 61 -20.723 -6.282 2.501 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.210 -5.348 3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.533 -7.319 5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.783 -6.097 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.157 -8.524 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.461 -8.603 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.208 -7.437 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.510 -6.795 5.199 1.00 0.00 H new ATOM 978 N GLY A 62 -16.692 -7.066 2.734 1.00 0.00 N ATOM 979 CA GLY A 62 -15.820 -7.960 2.016 1.00 0.00 C ATOM 980 C GLY A 62 -14.358 -7.602 2.130 1.00 0.00 C ATOM 981 O GLY A 62 -14.006 -6.474 2.462 1.00 0.00 O ATOM 0 H GLY A 62 -16.220 -6.386 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.967 -8.974 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.103 -7.963 0.964 1.00 0.00 H new ATOM 985 N VAL A 63 -13.509 -8.576 1.845 1.00 0.00 N ATOM 986 CA VAL A 63 -12.071 -8.382 1.894 1.00 0.00 C ATOM 987 C VAL A 63 -11.460 -8.559 0.508 1.00 0.00 C ATOM 988 O VAL A 63 -11.677 -9.573 -0.161 1.00 0.00 O ATOM 989 CB VAL A 63 -11.405 -9.358 2.897 1.00 0.00 C ATOM 990 CG1 VAL A 63 -11.874 -10.789 2.664 1.00 0.00 C ATOM 991 CG2 VAL A 63 -9.885 -9.276 2.812 1.00 0.00 C ATOM 0 H VAL A 63 -13.796 -9.517 1.575 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.886 -7.364 2.236 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.709 -9.058 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.391 -11.452 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.955 -10.843 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.612 -11.097 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.443 -9.971 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.562 -9.537 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.562 -8.261 3.045 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.719 -7.557 0.067 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.029 -7.651 -1.199 1.00 0.00 C ATOM 1003 C GLY A 64 -8.592 -7.204 -1.082 1.00 0.00 C ATOM 1004 O GLY A 64 -8.233 -6.495 -0.148 1.00 0.00 O ATOM 0 H GLY A 64 -10.583 -6.677 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.063 -8.680 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.542 -7.038 -1.940 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.765 -7.624 -2.014 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.380 -7.199 -2.042 1.00 0.00 C ATOM 1010 C GLN A 65 -6.231 -6.168 -3.146 1.00 0.00 C ATOM 1011 O GLN A 65 -6.560 -6.442 -4.305 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.459 -8.397 -2.285 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.000 -8.129 -1.960 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.105 -9.317 -2.256 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.371 -10.102 -3.167 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.042 -9.464 -1.482 1.00 0.00 N ATOM 0 H GLN A 65 -8.027 -8.262 -2.766 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.097 -6.761 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.806 -9.237 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.539 -8.698 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.656 -7.269 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.910 -7.865 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.856 -8.792 -0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.408 -10.249 -1.630 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.742 -4.991 -2.800 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.807 -3.870 -3.711 1.00 0.00 C ATOM 1027 C VAL A 66 -4.422 -3.240 -3.909 1.00 0.00 C ATOM 1028 O VAL A 66 -3.712 -2.935 -2.949 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.864 -2.850 -3.198 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.416 -2.113 -1.958 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -7.275 -1.864 -4.260 1.00 0.00 C ATOM 0 H VAL A 66 -5.300 -4.790 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.125 -4.215 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.733 -3.452 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.194 -1.416 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.229 -2.828 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.500 -1.562 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.014 -1.175 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.402 -1.303 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.707 -2.399 -5.105 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.015 -3.110 -5.164 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.705 -2.571 -5.495 1.00 0.00 C ATOM 1043 C ARG A 67 -2.865 -1.267 -6.256 1.00 0.00 C ATOM 1044 O ARG A 67 -3.797 -1.116 -7.049 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.897 -3.564 -6.341 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.467 -3.115 -6.587 1.00 0.00 C ATOM 1047 CD ARG A 67 0.223 -3.943 -7.660 1.00 0.00 C ATOM 1048 NE ARG A 67 0.429 -5.336 -7.262 1.00 0.00 N ATOM 1049 CZ ARG A 67 1.353 -6.132 -7.806 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.225 -5.639 -8.682 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 1.431 -7.413 -7.450 1.00 0.00 N ATOM 0 H ARG A 67 -4.578 -3.372 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.165 -2.392 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.886 -4.533 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.397 -3.706 -7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.464 -2.066 -6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.098 -3.185 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.373 -3.916 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.187 -3.492 -7.896 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.166 -5.720 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.188 -4.652 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.930 -6.248 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.783 -7.791 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.139 -8.017 -7.869 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.956 -0.337 -6.023 1.00 0.00 N ATOM 1066 CA PHE A 68 -2.022 0.967 -6.643 1.00 0.00 C ATOM 1067 C PHE A 68 -0.661 1.639 -6.639 1.00 0.00 C ATOM 1068 O PHE A 68 0.205 1.317 -5.823 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.050 1.857 -5.927 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.150 1.628 -4.441 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.085 1.903 -3.598 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.321 1.130 -3.893 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.188 1.686 -2.238 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.430 0.911 -2.535 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.363 1.188 -1.706 1.00 0.00 C ATOM 0 H PHE A 68 -1.157 -0.467 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.337 0.829 -7.677 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.793 2.901 -6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.030 1.690 -6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.165 2.291 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.160 0.910 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.352 1.905 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.349 0.523 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.445 1.016 -0.643 1.00 0.00 H new ATOM 1085 N THR A 69 -0.474 2.544 -7.579 1.00 0.00 N ATOM 1086 CA THR A 69 0.695 3.403 -7.596 1.00 0.00 C ATOM 1087 C THR A 69 0.297 4.751 -7.039 1.00 0.00 C ATOM 1088 O THR A 69 -0.711 5.326 -7.454 1.00 0.00 O ATOM 1089 CB THR A 69 1.257 3.576 -9.016 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.420 2.295 -9.635 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.595 4.293 -8.972 1.00 0.00 C ATOM 0 H THR A 69 -1.124 2.705 -8.349 1.00 0.00 H new ATOM 0 HA THR A 69 1.477 2.945 -6.991 1.00 0.00 H new ATOM 0 HB THR A 69 0.555 4.173 -9.597 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.777 2.412 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.980 4.408 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.466 5.276 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.301 3.710 -8.380 1.00 0.00 H new ATOM 1099 N LEU A 70 1.060 5.236 -6.086 1.00 0.00 N ATOM 1100 CA LEU A 70 0.689 6.439 -5.378 1.00 0.00 C ATOM 1101 C LEU A 70 1.646 7.577 -5.648 1.00 0.00 C ATOM 1102 O LEU A 70 2.861 7.392 -5.751 1.00 0.00 O ATOM 1103 CB LEU A 70 0.611 6.147 -3.889 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.508 5.181 -3.506 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.334 4.686 -2.083 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.866 5.843 -3.690 1.00 0.00 C ATOM 0 H LEU A 70 1.939 4.817 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.289 6.756 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.564 5.733 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.468 7.085 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.456 4.316 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.144 4.000 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.621 4.169 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.354 5.534 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.653 5.142 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.928 6.728 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.990 6.134 -4.733 1.00 0.00 H new ATOM 1118 N ASP A 71 1.062 8.751 -5.779 1.00 0.00 N ATOM 1119 CA ASP A 71 1.801 9.970 -6.020 1.00 0.00 C ATOM 1120 C ASP A 71 2.445 10.477 -4.735 1.00 0.00 C ATOM 1121 O ASP A 71 2.103 10.036 -3.639 1.00 0.00 O ATOM 1122 CB ASP A 71 0.861 11.033 -6.608 1.00 0.00 C ATOM 1123 CG ASP A 71 1.532 12.375 -6.813 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.514 12.445 -7.576 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 1.099 13.358 -6.180 1.00 0.00 O ATOM 0 H ASP A 71 0.053 8.885 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 71 2.599 9.763 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.474 10.678 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.006 11.159 -5.944 1.00 0.00 H new ATOM 1130 N ARG A 72 3.376 11.392 -4.895 1.00 0.00 N ATOM 1131 CA ARG A 72 4.057 12.051 -3.785 1.00 0.00 C ATOM 1132 C ARG A 72 3.062 12.686 -2.814 1.00 0.00 C ATOM 1133 O ARG A 72 3.276 12.683 -1.600 1.00 0.00 O ATOM 1134 CB ARG A 72 5.005 13.118 -4.337 1.00 0.00 C ATOM 1135 CG ARG A 72 6.038 12.557 -5.299 1.00 0.00 C ATOM 1136 CD ARG A 72 6.698 13.653 -6.122 1.00 0.00 C ATOM 1137 NE ARG A 72 7.550 14.522 -5.315 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.413 15.846 -5.243 1.00 0.00 C ATOM 1139 NH1 ARG A 72 6.410 16.451 -5.869 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 8.279 16.566 -4.542 1.00 0.00 N ATOM 0 H ARG A 72 3.691 11.709 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 72 4.623 11.300 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.422 13.885 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.517 13.605 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.800 12.015 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.561 11.839 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.294 13.199 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.928 14.253 -6.606 1.00 0.00 H new ATOM 0 HE ARG A 72 8.297 14.089 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.740 15.902 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.310 17.464 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.050 16.107 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.174 17.579 -4.487 1.00 0.00 H new ATOM 1154 N GLN A 73 1.966 13.212 -3.352 1.00 0.00 N ATOM 1155 CA GLN A 73 0.931 13.829 -2.529 1.00 0.00 C ATOM 1156 C GLN A 73 -0.017 12.773 -1.968 1.00 0.00 C ATOM 1157 O GLN A 73 -1.025 13.098 -1.337 1.00 0.00 O ATOM 1158 CB GLN A 73 0.134 14.843 -3.346 1.00 0.00 C ATOM 1159 CG GLN A 73 0.986 15.930 -3.971 1.00 0.00 C ATOM 1160 CD GLN A 73 0.172 16.907 -4.792 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.861 16.554 -5.365 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.637 18.143 -4.868 1.00 0.00 N ATOM 0 H GLN A 73 1.772 13.223 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 73 1.422 14.339 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.404 14.317 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.615 15.306 -2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.512 16.472 -3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.745 15.472 -4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.496 18.396 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.137 18.843 -5.416 1.00 0.00 H new ATOM 1171 N GLY A 74 0.315 11.512 -2.200 1.00 0.00 N ATOM 1172 CA GLY A 74 -0.544 10.427 -1.783 1.00 0.00 C ATOM 1173 C GLY A 74 -1.778 10.333 -2.644 1.00 0.00 C ATOM 1174 O GLY A 74 -2.878 10.089 -2.149 1.00 0.00 O ATOM 0 H GLY A 74 1.170 11.221 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.006 9.487 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.836 10.572 -0.743 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.585 10.536 -3.932 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.674 10.549 -4.891 1.00 0.00 C ATOM 1180 C HIS A 75 -2.632 9.297 -5.757 1.00 0.00 C ATOM 1181 O HIS A 75 -1.565 8.854 -6.167 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.572 11.817 -5.745 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.538 11.885 -6.892 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.908 11.919 -6.727 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.318 11.917 -8.226 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.486 11.984 -7.914 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.544 11.983 -8.837 1.00 0.00 N ATOM 0 H HIS A 75 -0.666 10.697 -4.345 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.629 10.553 -4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.731 12.684 -5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.558 11.893 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.357 11.895 -8.718 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.549 12.030 -8.097 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.702 12.025 -9.844 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.802 8.724 -6.001 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.933 7.541 -6.838 1.00 0.00 C ATOM 1198 C VAL A 76 -3.405 7.798 -8.254 1.00 0.00 C ATOM 1199 O VAL A 76 -3.726 8.811 -8.878 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.408 7.078 -6.905 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.295 8.155 -7.513 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.535 5.775 -7.680 1.00 0.00 C ATOM 0 H VAL A 76 -4.686 9.066 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.333 6.752 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.746 6.901 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.325 7.801 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.241 9.057 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.955 8.379 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.581 5.471 -7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.167 5.919 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.947 5.000 -7.188 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.568 6.894 -8.736 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.036 6.981 -10.090 1.00 0.00 C ATOM 1214 C LEU A 77 -2.425 5.744 -10.891 1.00 0.00 C ATOM 1215 O LEU A 77 -2.788 5.830 -12.065 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.513 7.104 -10.058 1.00 0.00 C ATOM 1217 CG LEU A 77 0.033 8.293 -9.269 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.538 8.166 -9.106 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.322 9.607 -9.955 1.00 0.00 C ATOM 0 H LEU A 77 -2.239 6.086 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.457 7.867 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.101 6.188 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.150 7.173 -11.083 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.427 8.293 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.916 9.019 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.770 7.245 -8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.010 8.143 -10.088 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.077 10.439 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.109 9.623 -10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.406 9.700 -10.025 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.355 4.595 -10.237 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.674 3.324 -10.873 1.00 0.00 C ATOM 1233 C ALA A 78 -3.642 2.543 -10.011 1.00 0.00 C ATOM 1234 O ALA A 78 -3.589 2.636 -8.789 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.414 2.508 -11.098 1.00 0.00 C ATOM 0 H ALA A 78 -2.078 4.516 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.135 3.528 -11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.673 1.562 -11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.731 3.063 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.932 2.312 -10.140 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.501 1.764 -10.649 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.518 1.004 -9.946 1.00 0.00 C ATOM 1243 C VAL A 79 -5.482 -0.450 -10.400 1.00 0.00 C ATOM 1244 O VAL A 79 -5.553 -0.744 -11.594 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.935 1.594 -10.168 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -7.039 2.981 -9.559 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.297 1.647 -11.647 1.00 0.00 C ATOM 0 H VAL A 79 -4.512 1.642 -11.662 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.300 1.062 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.644 0.932 -9.671 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.041 3.377 -9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.845 2.924 -8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.306 3.639 -10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.297 2.066 -11.762 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.578 2.273 -12.175 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.276 0.640 -12.063 1.00 0.00 H new ATOM 1257 N THR A 80 -5.322 -1.358 -9.457 1.00 0.00 N ATOM 1258 CA THR A 80 -5.245 -2.767 -9.784 1.00 0.00 C ATOM 1259 C THR A 80 -5.906 -3.623 -8.711 1.00 0.00 C ATOM 1260 O THR A 80 -5.496 -3.607 -7.548 1.00 0.00 O ATOM 1261 CB THR A 80 -3.777 -3.211 -9.958 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.143 -2.400 -10.954 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.693 -4.676 -10.364 1.00 0.00 C ATOM 0 H THR A 80 -5.243 -1.146 -8.462 1.00 0.00 H new ATOM 0 HA THR A 80 -5.779 -2.909 -10.724 1.00 0.00 H new ATOM 0 HB THR A 80 -3.267 -3.089 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.211 -2.683 -11.061 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.648 -4.962 -10.480 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.155 -5.294 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.216 -4.822 -11.309 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.938 -4.356 -9.097 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.500 -5.357 -8.216 1.00 0.00 C ATOM 1273 C LEU A 81 -6.700 -6.633 -8.383 1.00 0.00 C ATOM 1274 O LEU A 81 -6.802 -7.315 -9.401 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.972 -5.619 -8.507 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.639 -6.565 -7.510 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.761 -5.902 -6.146 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.000 -7.014 -8.016 1.00 0.00 C ATOM 0 H LEU A 81 -7.397 -4.276 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.444 -4.994 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.507 -4.670 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.066 -6.037 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.011 -7.450 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.238 -6.590 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.769 -5.642 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.364 -4.998 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.455 -7.687 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.641 -6.144 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.881 -7.534 -8.967 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.897 -6.932 -7.390 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.920 -7.999 -7.493 1.00 0.00 C ATOM 1292 C VAL A 82 -5.524 -9.336 -7.102 1.00 0.00 C ATOM 1293 O VAL A 82 -5.350 -10.336 -7.800 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.693 -7.707 -6.610 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.418 -7.775 -7.434 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.825 -6.346 -5.944 1.00 0.00 C ATOM 0 H VAL A 82 -5.899 -6.449 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.603 -8.051 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.642 -8.467 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.560 -7.566 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.316 -8.771 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.462 -7.037 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.948 -6.158 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.902 -5.573 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.720 -6.331 -5.321 1.00 0.00 H new ATOM 1306 N SER A 83 -6.237 -9.348 -5.986 1.00 0.00 N ATOM 1307 CA SER A 83 -6.877 -10.561 -5.502 1.00 0.00 C ATOM 1308 C SER A 83 -8.210 -10.239 -4.839 1.00 0.00 C ATOM 1309 O SER A 83 -8.253 -9.586 -3.798 1.00 0.00 O ATOM 1310 CB SER A 83 -5.963 -11.279 -4.506 1.00 0.00 C ATOM 1311 OG SER A 83 -4.711 -11.599 -5.092 1.00 0.00 O ATOM 0 H SER A 83 -6.387 -8.529 -5.397 1.00 0.00 H new ATOM 0 HA SER A 83 -7.061 -11.214 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.807 -10.647 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.447 -12.191 -4.157 1.00 0.00 H new ATOM 0 HG SER A 83 -3.992 -11.171 -4.582 1.00 0.00 H new ATOM 1317 N SER A 84 -9.293 -10.672 -5.454 1.00 0.00 N ATOM 1318 CA SER A 84 -10.606 -10.512 -4.862 1.00 0.00 C ATOM 1319 C SER A 84 -11.104 -11.857 -4.347 1.00 0.00 C ATOM 1320 O SER A 84 -10.929 -12.886 -5.000 1.00 0.00 O ATOM 1321 CB SER A 84 -11.587 -9.931 -5.884 1.00 0.00 C ATOM 1322 OG SER A 84 -12.859 -9.701 -5.303 1.00 0.00 O ATOM 0 H SER A 84 -9.290 -11.137 -6.362 1.00 0.00 H new ATOM 0 HA SER A 84 -10.536 -9.817 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.191 -8.996 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.688 -10.617 -6.725 1.00 0.00 H new ATOM 0 HG SER A 84 -13.545 -10.172 -5.820 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.703 -11.846 -3.162 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.247 -13.059 -2.565 1.00 0.00 C ATOM 1330 C ALA A 85 -13.613 -13.381 -3.159 1.00 0.00 C ATOM 1331 O ALA A 85 -14.190 -14.437 -2.899 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.348 -12.897 -1.058 1.00 0.00 C ATOM 0 H ALA A 85 -11.824 -11.007 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.575 -13.889 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.756 -13.808 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.357 -12.708 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.004 -12.058 -0.825 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.113 -12.455 -3.958 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.415 -12.593 -4.565 1.00 0.00 C ATOM 1340 C GLY A 86 -16.008 -11.237 -4.840 1.00 0.00 C ATOM 1341 O GLY A 86 -15.848 -10.692 -5.931 1.00 0.00 O ATOM 0 H GLY A 86 -13.627 -11.592 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.333 -13.157 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.073 -13.159 -3.906 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.674 -10.696 -3.821 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.202 -9.331 -3.841 1.00 0.00 C ATOM 1347 C LEU A 87 -17.897 -8.990 -5.165 1.00 0.00 C ATOM 1348 O LEU A 87 -17.499 -8.043 -5.831 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.077 -8.305 -3.616 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.283 -8.376 -2.301 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.207 -8.432 -1.109 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.312 -9.546 -2.285 1.00 0.00 C ATOM 0 H LEU A 87 -16.864 -11.195 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.934 -9.281 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.368 -8.402 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.515 -7.309 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.694 -7.461 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.617 -8.482 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.831 -7.539 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.840 -9.316 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.772 -9.558 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.864 -10.479 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.602 -9.441 -3.106 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.944 -9.724 -5.572 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.599 -9.470 -6.859 1.00 0.00 C ATOM 1366 C PRO A 88 -20.206 -8.069 -6.924 1.00 0.00 C ATOM 1367 O PRO A 88 -19.702 -7.191 -7.626 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.689 -10.546 -6.939 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.297 -11.576 -5.931 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.573 -10.836 -4.844 1.00 0.00 C ATOM 0 HA PRO A 88 -18.896 -9.515 -7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.671 -10.129 -6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.746 -10.975 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.174 -12.089 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.657 -12.336 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.256 -10.480 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.833 -11.465 -4.349 1.00 0.00 H new ATOM 1378 N SER A 89 -21.284 -7.865 -6.184 1.00 0.00 N ATOM 1379 CA SER A 89 -21.898 -6.552 -6.070 1.00 0.00 C ATOM 1380 C SER A 89 -21.079 -5.669 -5.120 1.00 0.00 C ATOM 1381 O SER A 89 -21.187 -4.445 -5.129 1.00 0.00 O ATOM 1382 CB SER A 89 -23.341 -6.701 -5.574 1.00 0.00 C ATOM 1383 OG SER A 89 -24.056 -5.482 -5.673 1.00 0.00 O ATOM 0 H SER A 89 -21.754 -8.596 -5.651 1.00 0.00 H new ATOM 0 HA SER A 89 -21.915 -6.072 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.849 -7.469 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.337 -7.038 -4.537 1.00 0.00 H new ATOM 0 HG SER A 89 -25.007 -5.646 -5.504 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.252 -6.319 -4.309 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.511 -5.653 -3.240 1.00 0.00 C ATOM 1391 C LEU A 90 -18.322 -4.849 -3.765 1.00 0.00 C ATOM 1392 O LEU A 90 -18.068 -3.735 -3.300 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.004 -6.695 -2.249 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.056 -7.668 -1.726 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.395 -8.977 -1.342 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.774 -7.063 -0.535 1.00 0.00 C ATOM 0 H LEU A 90 -20.075 -7.322 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.196 -4.957 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.209 -7.268 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.559 -6.177 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.789 -7.863 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.149 -9.670 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.907 -9.408 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.653 -8.796 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.524 -7.764 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.054 -6.854 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.261 -6.136 -0.836 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.604 -5.420 -4.731 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.347 -4.844 -5.220 1.00 0.00 C ATOM 1410 C ASP A 91 -16.527 -3.401 -5.650 1.00 0.00 C ATOM 1411 O ASP A 91 -15.755 -2.530 -5.253 1.00 0.00 O ATOM 1412 CB ASP A 91 -15.808 -5.671 -6.391 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.578 -5.064 -7.042 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -13.465 -5.260 -6.523 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -14.726 -4.406 -8.097 1.00 0.00 O1- ATOM 0 H ASP A 91 -17.872 -6.288 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.630 -4.866 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.566 -6.673 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.591 -5.779 -7.141 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.574 -3.146 -6.422 1.00 0.00 N ATOM 1421 CA ARG A 92 -17.822 -1.811 -6.949 1.00 0.00 C ATOM 1422 C ARG A 92 -17.872 -0.769 -5.832 1.00 0.00 C ATOM 1423 O ARG A 92 -17.402 0.349 -6.006 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.122 -1.786 -7.774 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.394 -2.053 -6.977 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.096 -0.762 -6.573 1.00 0.00 C ATOM 1427 NE ARG A 92 -21.524 0.018 -7.737 1.00 0.00 N ATOM 1428 CZ ARG A 92 -21.719 1.339 -7.726 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -21.608 2.031 -6.596 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -22.059 1.965 -8.847 1.00 0.00 N ATOM 0 H ARG A 92 -18.264 -3.845 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.990 -1.554 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.210 -0.812 -8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.046 -2.529 -8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -21.073 -2.664 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.148 -2.627 -6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -21.963 -0.999 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -20.424 -0.160 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.683 -0.480 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -21.372 1.553 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -21.759 3.040 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.170 1.437 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -22.209 2.974 -8.842 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.439 -1.143 -4.689 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.632 -0.203 -3.595 1.00 0.00 C ATOM 1446 C GLU A 93 -17.348 0.042 -2.805 1.00 0.00 C ATOM 1447 O GLU A 93 -16.918 1.187 -2.645 1.00 0.00 O ATOM 1448 CB GLU A 93 -19.720 -0.704 -2.656 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.653 0.394 -2.184 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.507 0.933 -3.308 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.563 0.330 -3.591 1.00 0.00 O ATOM 1452 OE2 GLU A 93 -21.126 1.955 -3.915 1.00 0.00 O1- ATOM 0 H GLU A 93 -18.771 -2.088 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.933 0.745 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.302 -1.474 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.255 -1.174 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.296 0.008 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.068 1.206 -1.752 1.00 0.00 H new ATOM 1459 N ILE A 94 -16.736 -1.034 -2.313 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.578 -0.907 -1.429 1.00 0.00 C ATOM 1461 C ILE A 94 -14.362 -0.371 -2.173 1.00 0.00 C ATOM 1462 O ILE A 94 -13.579 0.404 -1.619 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.215 -2.240 -0.730 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.057 -3.373 -1.754 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.262 -2.593 0.323 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.684 -4.706 -1.139 1.00 0.00 C ATOM 0 H ILE A 94 -17.019 -1.994 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 94 -15.867 -0.192 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.256 -2.113 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.991 -3.486 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.293 -3.091 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -15.991 -3.533 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -16.307 -1.802 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.237 -2.697 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.591 -5.456 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.734 -4.611 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.459 -5.012 -0.436 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.216 -0.760 -3.431 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.103 -0.308 -4.228 1.00 0.00 C ATOM 1480 C GLN A 95 -13.357 1.091 -4.757 1.00 0.00 C ATOM 1481 O GLN A 95 -12.434 1.835 -5.013 1.00 0.00 O ATOM 1482 CB GLN A 95 -12.867 -1.246 -5.388 1.00 0.00 C ATOM 1483 CG GLN A 95 -12.783 -2.711 -4.995 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.489 -3.090 -4.326 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.444 -2.491 -4.570 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.554 -4.110 -3.488 1.00 0.00 N ATOM 0 H GLN A 95 -14.858 -1.388 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.218 -0.294 -3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.672 -1.121 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.941 -0.962 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.610 -2.945 -4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.913 -3.324 -5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.446 -4.575 -3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.712 -4.432 -3.011 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.606 1.452 -4.933 1.00 0.00 N ATOM 1496 CA ALA A 96 -14.916 2.824 -5.308 1.00 0.00 C ATOM 1497 C ALA A 96 -14.299 3.770 -4.290 1.00 0.00 C ATOM 1498 O ALA A 96 -13.609 4.722 -4.645 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.416 3.050 -5.395 1.00 0.00 C ATOM 0 H ALA A 96 -15.412 0.836 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.498 3.019 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.612 4.084 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.842 2.383 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.872 2.845 -4.426 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.499 3.454 -3.019 1.00 0.00 N ATOM 1506 CA LEU A 97 -13.992 4.250 -1.946 1.00 0.00 C ATOM 1507 C LEU A 97 -12.460 4.275 -1.934 1.00 0.00 C ATOM 1508 O LEU A 97 -11.844 5.330 -2.045 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.506 3.650 -0.641 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.205 4.501 0.553 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.492 5.020 1.180 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.345 3.772 1.578 1.00 0.00 C ATOM 0 H LEU A 97 -15.022 2.632 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.331 5.278 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.584 3.505 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.060 2.665 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.623 5.355 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.252 5.636 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.037 5.618 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.109 4.178 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.153 4.430 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.867 2.879 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.398 3.485 1.120 1.00 0.00 H new ATOM 1524 N VAL A 98 -11.864 3.099 -1.847 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.412 2.971 -1.694 1.00 0.00 C ATOM 1526 C VAL A 98 -9.665 2.947 -3.029 1.00 0.00 C ATOM 1527 O VAL A 98 -8.686 3.671 -3.209 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.058 1.694 -0.902 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.551 1.538 -0.755 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -10.735 1.714 0.459 1.00 0.00 C ATOM 0 H VAL A 98 -12.361 2.209 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.091 3.859 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.426 0.833 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.332 0.630 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.094 1.473 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.146 2.400 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.477 0.808 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.398 2.586 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.816 1.763 0.327 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.125 2.120 -3.956 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.438 1.935 -5.234 1.00 0.00 C ATOM 1542 C LYS A 99 -9.500 3.209 -6.081 1.00 0.00 C ATOM 1543 O LYS A 99 -8.624 3.446 -6.910 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.028 0.736 -6.006 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.339 0.451 -7.333 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.161 -0.485 -8.208 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.258 -1.885 -7.623 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.163 -2.755 -8.425 1.00 0.00 N1+ ATOM 0 H LYS A 99 -10.973 1.563 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.390 1.722 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.965 -0.153 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.086 0.922 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.169 1.388 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.360 0.008 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.163 -0.075 -8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.713 -0.538 -9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.265 -2.332 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.623 -1.827 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.312 -3.655 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.077 -2.277 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.733 -2.941 -9.353 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.528 4.035 -5.888 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.568 5.315 -6.581 1.00 0.00 C ATOM 1564 C ARG A 100 -9.788 6.360 -5.792 1.00 0.00 C ATOM 1565 O ARG A 100 -8.892 7.008 -6.327 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.015 5.774 -6.825 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.143 7.071 -7.620 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.933 8.302 -6.747 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.821 9.528 -7.534 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.888 10.755 -7.017 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -12.139 10.923 -5.723 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.719 11.817 -7.795 1.00 0.00 N ATOM 0 H ARG A 100 -11.321 3.846 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.098 5.192 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.549 4.984 -7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.509 5.903 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.413 7.073 -8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -13.130 7.118 -8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.765 8.396 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.030 8.172 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.683 9.440 -8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.281 10.112 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.189 11.863 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.537 11.696 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.771 12.755 -7.397 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.127 6.525 -4.522 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.481 7.532 -3.695 1.00 0.00 C ATOM 1588 C ALA A 101 -8.352 6.926 -2.876 1.00 0.00 C ATOM 1589 O ALA A 101 -8.423 6.874 -1.651 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.499 8.206 -2.786 1.00 0.00 C ATOM 0 H ALA A 101 -10.842 5.977 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.050 8.285 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.999 8.957 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.267 8.685 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.960 7.459 -2.140 1.00 0.00 H new ATOM 1596 N SER A 102 -7.314 6.463 -3.564 1.00 0.00 N ATOM 1597 CA SER A 102 -6.163 5.859 -2.904 1.00 0.00 C ATOM 1598 C SER A 102 -5.248 6.935 -2.314 1.00 0.00 C ATOM 1599 O SER A 102 -4.582 7.672 -3.044 1.00 0.00 O ATOM 1600 CB SER A 102 -5.399 4.984 -3.896 1.00 0.00 C ATOM 1601 OG SER A 102 -6.272 4.065 -4.530 1.00 0.00 O ATOM 0 H SER A 102 -7.246 6.495 -4.581 1.00 0.00 H new ATOM 0 HA SER A 102 -6.516 5.235 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.917 5.611 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.608 4.443 -3.377 1.00 0.00 H new ATOM 0 HG SER A 102 -7.095 3.981 -4.005 1.00 0.00 H new ATOM 1607 N PRO A 103 -5.242 7.059 -0.979 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.473 8.057 -0.260 1.00 0.00 C ATOM 1609 C PRO A 103 -3.182 7.516 0.367 1.00 0.00 C ATOM 1610 O PRO A 103 -3.152 6.413 0.910 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.463 8.466 0.836 1.00 0.00 C ATOM 1612 CG PRO A 103 -6.406 7.303 1.001 1.00 0.00 C ATOM 1613 CD PRO A 103 -6.038 6.274 -0.041 1.00 0.00 C ATOM 0 HA PRO A 103 -4.126 8.859 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.944 8.682 1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.004 9.370 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.324 6.881 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.439 7.625 0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.468 5.448 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.919 5.842 -0.516 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.120 8.304 0.281 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.878 8.006 0.989 1.00 0.00 C ATOM 1623 C LEU A 104 -0.488 9.221 1.828 1.00 0.00 C ATOM 1624 O LEU A 104 -0.081 10.251 1.291 1.00 0.00 O ATOM 1625 CB LEU A 104 0.251 7.666 0.005 1.00 0.00 C ATOM 1626 CG LEU A 104 1.128 6.468 0.397 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.265 6.293 -0.598 1.00 0.00 C ATOM 1628 CD2 LEU A 104 1.674 6.623 1.807 1.00 0.00 C ATOM 0 H LEU A 104 -2.091 9.159 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.034 7.139 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.189 7.468 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.890 8.542 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 104 0.504 5.574 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.877 5.440 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.855 6.121 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.880 7.193 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.291 5.759 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.277 7.529 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.846 6.692 2.512 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.647 9.123 3.159 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.364 10.233 4.075 1.00 0.00 C ATOM 1642 C PRO A 105 1.104 10.613 4.095 1.00 0.00 C ATOM 1643 O PRO A 105 1.479 11.741 3.771 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.753 9.704 5.456 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.481 8.425 5.228 1.00 0.00 C ATOM 1646 CD PRO A 105 -1.113 7.922 3.865 1.00 0.00 C ATOM 0 HA PRO A 105 -0.909 11.126 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.131 9.543 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.383 10.421 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.214 7.693 5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.557 8.581 5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.334 7.161 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.968 7.469 3.362 1.00 0.00 H new ATOM 1654 N THR A 106 1.920 9.667 4.513 1.00 0.00 N ATOM 1655 CA THR A 106 3.354 9.888 4.620 1.00 0.00 C ATOM 1656 C THR A 106 4.027 9.743 3.254 1.00 0.00 C ATOM 1657 O THR A 106 3.881 8.725 2.585 1.00 0.00 O ATOM 1658 CB THR A 106 3.997 8.931 5.659 1.00 0.00 C ATOM 1659 OG1 THR A 106 5.399 9.204 5.801 1.00 0.00 O ATOM 1660 CG2 THR A 106 3.797 7.469 5.281 1.00 0.00 C ATOM 0 H THR A 106 1.616 8.732 4.786 1.00 0.00 H new ATOM 0 HA THR A 106 3.509 10.908 4.971 1.00 0.00 H new ATOM 0 HB THR A 106 3.496 9.109 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.786 8.592 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.262 6.832 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.731 7.250 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.255 7.278 4.311 1.00 0.00 H new ATOM 1668 N PRO A 107 4.741 10.791 2.810 1.00 0.00 N ATOM 1669 CA PRO A 107 5.446 10.791 1.525 1.00 0.00 C ATOM 1670 C PRO A 107 6.641 9.844 1.533 1.00 0.00 C ATOM 1671 O PRO A 107 7.663 10.118 2.170 1.00 0.00 O ATOM 1672 CB PRO A 107 5.921 12.244 1.363 1.00 0.00 C ATOM 1673 CG PRO A 107 5.187 13.025 2.403 1.00 0.00 C ATOM 1674 CD PRO A 107 4.911 12.064 3.520 1.00 0.00 C ATOM 0 HA PRO A 107 4.805 10.451 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.999 12.322 1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.701 12.619 0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.783 13.868 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.260 13.435 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.734 12.024 4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.017 12.339 4.080 1.00 0.00 H new ATOM 1682 N PRO A 108 6.530 8.710 0.829 1.00 0.00 N ATOM 1683 CA PRO A 108 7.599 7.722 0.744 1.00 0.00 C ATOM 1684 C PRO A 108 8.600 8.075 -0.344 1.00 0.00 C ATOM 1685 O PRO A 108 8.806 7.315 -1.294 1.00 0.00 O ATOM 1686 CB PRO A 108 6.830 6.453 0.397 1.00 0.00 C ATOM 1687 CG PRO A 108 5.743 6.940 -0.495 1.00 0.00 C ATOM 1688 CD PRO A 108 5.344 8.290 0.049 1.00 0.00 C ATOM 0 HA PRO A 108 8.194 7.643 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.465 5.723 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.431 5.969 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.088 7.020 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.898 6.252 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.119 8.995 -0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.454 8.224 0.675 1.00 0.00 H new ATOM 1696 N ALA A 109 9.214 9.242 -0.195 1.00 0.00 N ATOM 1697 CA ALA A 109 10.201 9.717 -1.149 1.00 0.00 C ATOM 1698 C ALA A 109 11.288 8.679 -1.333 1.00 0.00 C ATOM 1699 O ALA A 109 11.591 8.274 -2.454 1.00 0.00 O ATOM 1700 CB ALA A 109 10.793 11.040 -0.692 1.00 0.00 C ATOM 0 H ALA A 109 9.042 9.878 0.583 1.00 0.00 H new ATOM 0 HA ALA A 109 9.710 9.880 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.530 11.379 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.000 11.783 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.274 10.908 0.277 1.00 0.00 H new ATOM 1706 N ASP A 110 11.806 8.189 -0.216 1.00 0.00 N ATOM 1707 CA ASP A 110 12.926 7.258 -0.232 1.00 0.00 C ATOM 1708 C ASP A 110 12.492 5.862 -0.659 1.00 0.00 C ATOM 1709 O ASP A 110 13.275 4.913 -0.607 1.00 0.00 O ATOM 1710 CB ASP A 110 13.594 7.205 1.142 1.00 0.00 C ATOM 1711 CG ASP A 110 14.095 8.562 1.588 1.00 0.00 C ATOM 1712 OD1 ASP A 110 15.241 8.924 1.243 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 13.340 9.279 2.278 1.00 0.00 O ATOM 0 H ASP A 110 11.467 8.422 0.717 1.00 0.00 H new ATOM 0 HA ASP A 110 13.645 7.622 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.883 6.823 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.428 6.504 1.112 1.00 0.00 H new ATOM 1718 N ALA A 111 11.240 5.743 -1.078 1.00 0.00 N ATOM 1719 CA ALA A 111 10.718 4.483 -1.573 1.00 0.00 C ATOM 1720 C ALA A 111 10.547 4.532 -3.087 1.00 0.00 C ATOM 1721 O ALA A 111 10.815 3.557 -3.785 1.00 0.00 O ATOM 1722 CB ALA A 111 9.390 4.168 -0.906 1.00 0.00 C ATOM 0 H ALA A 111 10.567 6.509 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 111 11.431 3.695 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.008 3.220 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.532 4.096 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.675 4.961 -1.126 1.00 0.00 H new ATOM 1728 N TYR A 112 10.116 5.680 -3.602 1.00 0.00 N ATOM 1729 CA TYR A 112 9.838 5.800 -5.028 1.00 0.00 C ATOM 1730 C TYR A 112 10.877 6.609 -5.757 1.00 0.00 C ATOM 1731 O TYR A 112 10.638 7.091 -6.866 1.00 0.00 O ATOM 1732 CB TYR A 112 8.437 6.305 -5.339 1.00 0.00 C ATOM 1733 CG TYR A 112 7.954 7.523 -4.593 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.726 8.665 -4.454 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.687 7.514 -4.042 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.243 9.764 -3.772 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.192 8.596 -3.366 1.00 0.00 C ATOM 1738 CZ TYR A 112 6.973 9.725 -3.228 1.00 0.00 C ATOM 1739 OH TYR A 112 6.494 10.816 -2.541 1.00 0.00 O ATOM 0 H TYR A 112 9.954 6.529 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 112 9.890 4.778 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.387 6.522 -6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.736 5.493 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.716 8.696 -4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.073 6.632 -4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.854 10.648 -3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.198 8.566 -2.944 1.00 0.00 H new ATOM 0 HH TYR A 112 7.174 11.522 -2.533 1.00 0.00 H new ATOM 1749 N VAL A 113 12.024 6.766 -5.135 1.00 0.00 N ATOM 1750 CA VAL A 113 13.148 7.379 -5.821 1.00 0.00 C ATOM 1751 C VAL A 113 13.643 6.412 -6.889 1.00 0.00 C ATOM 1752 O VAL A 113 14.545 5.596 -6.677 1.00 0.00 O ATOM 1753 CB VAL A 113 14.308 7.763 -4.867 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.004 9.076 -4.162 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.577 6.663 -3.844 1.00 0.00 C ATOM 0 H VAL A 113 12.206 6.484 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 113 12.803 8.312 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 113 15.207 7.886 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.828 9.331 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.878 9.866 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.087 8.973 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.396 6.965 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.681 6.494 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.847 5.743 -4.362 1.00 0.00 H new ATOM 1765 N ASN A 114 13.017 6.552 -8.047 1.00 0.00 N ATOM 1766 CA ASN A 114 13.182 5.669 -9.188 1.00 0.00 C ATOM 1767 C ASN A 114 12.057 5.973 -10.170 1.00 0.00 C ATOM 1768 O ASN A 114 12.266 6.030 -11.377 1.00 0.00 O ATOM 1769 CB ASN A 114 13.145 4.177 -8.779 1.00 0.00 C ATOM 1770 CG ASN A 114 11.740 3.622 -8.561 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.136 3.065 -9.476 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.208 3.768 -7.354 1.00 0.00 N ATOM 0 H ASN A 114 12.358 7.310 -8.223 1.00 0.00 H new ATOM 0 HA ASN A 114 14.158 5.844 -9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.640 3.588 -9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.720 4.049 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.271 3.413 -7.163 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.736 4.235 -6.617 1.00 0.00 H new ATOM 1779 N GLY A 115 10.872 6.222 -9.617 1.00 0.00 N ATOM 1780 CA GLY A 115 9.701 6.502 -10.421 1.00 0.00 C ATOM 1781 C GLY A 115 8.478 6.775 -9.567 1.00 0.00 C ATOM 1782 O GLY A 115 8.073 7.927 -9.413 1.00 0.00 O ATOM 0 H GLY A 115 10.705 6.234 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.897 7.363 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.502 5.656 -11.079 1.00 0.00 H new ATOM 1786 N THR A 116 7.909 5.715 -8.995 1.00 0.00 N ATOM 1787 CA THR A 116 6.703 5.806 -8.175 1.00 0.00 C ATOM 1788 C THR A 116 6.583 4.571 -7.286 1.00 0.00 C ATOM 1789 O THR A 116 7.389 3.645 -7.402 1.00 0.00 O ATOM 1790 CB THR A 116 5.433 5.931 -9.040 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.606 5.237 -10.284 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.077 7.388 -9.292 1.00 0.00 C ATOM 0 H THR A 116 8.273 4.767 -9.088 1.00 0.00 H new ATOM 0 HA THR A 116 6.790 6.703 -7.562 1.00 0.00 H new ATOM 0 HB THR A 116 4.608 5.474 -8.493 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.792 5.323 -10.823 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.177 7.442 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.899 7.889 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.900 7.879 -9.812 1.00 0.00 H new ATOM 1800 N VAL A 117 5.598 4.560 -6.390 1.00 0.00 N ATOM 1801 CA VAL A 117 5.391 3.413 -5.518 1.00 0.00 C ATOM 1802 C VAL A 117 4.190 2.603 -5.967 1.00 0.00 C ATOM 1803 O VAL A 117 3.047 3.045 -5.864 1.00 0.00 O ATOM 1804 CB VAL A 117 5.189 3.801 -4.025 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.489 4.263 -3.395 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.108 4.867 -3.847 1.00 0.00 C ATOM 0 H VAL A 117 4.938 5.326 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 117 6.305 2.823 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 117 4.854 2.899 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.314 4.527 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.224 3.460 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.864 5.134 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.003 5.105 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.390 5.766 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.159 4.491 -4.230 1.00 0.00 H new ATOM 1816 N GLU A 118 4.459 1.429 -6.502 1.00 0.00 N ATOM 1817 CA GLU A 118 3.409 0.469 -6.757 1.00 0.00 C ATOM 1818 C GLU A 118 3.486 -0.593 -5.678 1.00 0.00 C ATOM 1819 O GLU A 118 4.447 -1.361 -5.625 1.00 0.00 O ATOM 1820 CB GLU A 118 3.570 -0.174 -8.136 1.00 0.00 C ATOM 1821 CG GLU A 118 2.348 -0.964 -8.575 1.00 0.00 C ATOM 1822 CD GLU A 118 2.630 -1.898 -9.735 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.767 -1.417 -10.875 1.00 0.00 O ATOM 1824 OE2 GLU A 118 2.708 -3.129 -9.512 1.00 0.00 O1- ATOM 0 H GLU A 118 5.394 1.119 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 118 2.441 0.970 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.775 0.604 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.436 -0.835 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.975 -1.544 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.557 -0.270 -8.859 1.00 0.00 H new ATOM 1831 N LEU A 119 2.494 -0.635 -4.812 1.00 0.00 N ATOM 1832 CA LEU A 119 2.527 -1.560 -3.698 1.00 0.00 C ATOM 1833 C LEU A 119 1.131 -2.096 -3.429 1.00 0.00 C ATOM 1834 O LEU A 119 0.134 -1.424 -3.702 1.00 0.00 O ATOM 1835 CB LEU A 119 3.132 -0.876 -2.453 1.00 0.00 C ATOM 1836 CG LEU A 119 2.232 0.109 -1.695 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.475 -0.613 -0.606 1.00 0.00 C ATOM 1838 CD2 LEU A 119 3.048 1.250 -1.102 1.00 0.00 C ATOM 0 H LEU A 119 1.663 -0.046 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 119 3.166 -2.407 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.445 -1.654 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.032 -0.344 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 119 1.520 0.534 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.839 0.095 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.857 -1.394 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.182 -1.062 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.386 1.933 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.786 0.847 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.557 1.787 -1.902 1.00 0.00 H new ATOM 1850 N THR A 120 1.064 -3.313 -2.924 1.00 0.00 N ATOM 1851 CA THR A 120 -0.210 -3.956 -2.671 1.00 0.00 C ATOM 1852 C THR A 120 -0.594 -3.859 -1.199 1.00 0.00 C ATOM 1853 O THR A 120 0.191 -4.209 -0.317 1.00 0.00 O ATOM 1854 CB THR A 120 -0.177 -5.437 -3.078 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.271 -5.565 -4.437 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.549 -6.060 -2.926 1.00 0.00 C ATOM 0 H THR A 120 1.879 -3.877 -2.681 1.00 0.00 H new ATOM 0 HA THR A 120 -0.953 -3.433 -3.273 1.00 0.00 H new ATOM 0 HB THR A 120 0.518 -5.961 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.170 -6.495 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.507 -7.109 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.869 -5.986 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.260 -5.534 -3.563 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.802 -3.382 -0.949 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.342 -3.307 0.396 1.00 0.00 C ATOM 1866 C LEU A 121 -3.694 -3.996 0.440 1.00 0.00 C ATOM 1867 O LEU A 121 -4.581 -3.671 -0.337 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.477 -1.844 0.841 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.150 -1.107 1.018 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.374 0.337 1.441 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.279 -1.844 2.028 1.00 0.00 C ATOM 0 H LEU A 121 -2.434 -3.037 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.659 -3.811 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.079 -1.309 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.023 -1.814 1.784 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.634 -1.088 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.412 0.835 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.959 0.853 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.912 0.359 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.665 -1.314 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.795 -1.891 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.084 -2.855 1.671 1.00 0.00 H new ATOM 1883 N PRO A 122 -3.870 -4.987 1.311 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.152 -5.659 1.450 1.00 0.00 C ATOM 1885 C PRO A 122 -6.174 -4.789 2.160 1.00 0.00 C ATOM 1886 O PRO A 122 -5.943 -4.315 3.273 1.00 0.00 O ATOM 1887 CB PRO A 122 -4.830 -6.894 2.283 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.612 -6.530 3.051 1.00 0.00 C ATOM 1889 CD PRO A 122 -2.846 -5.543 2.209 1.00 0.00 C ATOM 0 HA PRO A 122 -5.594 -5.896 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.655 -7.148 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -4.652 -7.763 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.878 -6.093 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.007 -7.413 3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -2.385 -4.767 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.045 -6.028 1.652 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.293 -4.570 1.503 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.395 -3.848 2.107 1.00 0.00 C ATOM 1899 C ILE A 123 -9.423 -4.842 2.636 1.00 0.00 C ATOM 1900 O ILE A 123 -10.254 -5.366 1.888 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.070 -2.831 1.139 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.319 -3.408 -0.265 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.237 -1.567 1.032 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.319 -2.597 -1.053 1.00 0.00 C ATOM 0 H ILE A 123 -7.465 -4.882 0.547 1.00 0.00 H new ATOM 0 HA ILE A 123 -7.983 -3.259 2.926 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.044 -2.599 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -8.376 -3.447 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -9.678 -4.433 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.723 -0.867 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -8.142 -1.109 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.247 -1.815 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -10.458 -3.047 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.272 -2.580 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -9.950 -1.578 -1.169 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.348 -5.117 3.931 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.206 -6.120 4.542 1.00 0.00 C ATOM 1918 C ASP A 124 -11.333 -5.498 5.345 1.00 0.00 C ATOM 1919 O ASP A 124 -11.115 -4.677 6.237 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.383 -7.052 5.441 1.00 0.00 C ATOM 1921 CG ASP A 124 -8.431 -6.311 6.367 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -7.305 -6.006 5.931 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -8.786 -6.051 7.536 1.00 0.00 O ATOM 0 H ASP A 124 -8.703 -4.660 4.576 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.653 -6.694 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.061 -7.660 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.810 -7.736 4.815 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.544 -5.884 4.988 1.00 0.00 N ATOM 1929 CA PHE A 125 -13.728 -5.575 5.763 1.00 0.00 C ATOM 1930 C PHE A 125 -14.340 -6.882 6.247 1.00 0.00 C ATOM 1931 O PHE A 125 -14.182 -7.909 5.588 1.00 0.00 O ATOM 1932 CB PHE A 125 -14.714 -4.775 4.914 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.139 -3.482 4.414 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.869 -2.444 5.289 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -13.846 -3.315 3.070 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.323 -1.260 4.833 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -13.298 -2.135 2.608 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.036 -1.106 3.490 1.00 0.00 C ATOM 0 H PHE A 125 -12.733 -6.425 4.145 1.00 0.00 H new ATOM 0 HA PHE A 125 -13.471 -4.962 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.028 -5.380 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.607 -4.566 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.088 -2.561 6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.049 -4.117 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.121 -0.456 5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -13.075 -2.017 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 125 -12.607 -0.182 3.131 1.00 0.00 H new ATOM 1948 N SER A 126 -15.020 -6.850 7.384 1.00 0.00 N ATOM 1949 CA SER A 126 -15.652 -8.049 7.925 1.00 0.00 C ATOM 1950 C SER A 126 -16.698 -8.593 6.952 1.00 0.00 C ATOM 1951 O SER A 126 -17.807 -8.066 6.869 1.00 0.00 O ATOM 1952 CB SER A 126 -16.310 -7.718 9.264 1.00 0.00 C ATOM 1953 OG SER A 126 -15.413 -7.011 10.103 1.00 0.00 O ATOM 0 H SER A 126 -15.149 -6.011 7.950 1.00 0.00 H new ATOM 0 HA SER A 126 -14.889 -8.813 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.206 -7.121 9.096 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.627 -8.638 9.756 1.00 0.00 H new ATOM 0 HG SER A 126 -15.853 -6.807 10.954 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.343 -9.656 6.238 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.210 -10.220 5.211 1.00 0.00 C ATOM 1961 C LEU A 127 -18.241 -11.160 5.829 1.00 0.00 C ATOM 1962 O LEU A 127 -18.100 -12.385 5.781 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.374 -10.954 4.153 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.898 -10.851 2.712 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.872 -11.378 1.730 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.207 -11.596 2.538 1.00 0.00 C ATOM 0 H LEU A 127 -15.456 -10.146 6.353 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.745 -9.404 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.358 -10.562 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.317 -12.008 4.426 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.078 -9.795 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.263 -11.296 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.955 -10.795 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.658 -12.423 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.546 -11.500 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.060 -12.650 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.957 -11.174 3.207 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.260 -10.568 6.431 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.374 -11.315 6.980 1.00 0.00 C ATOM 1980 C ARG A 128 -21.682 -10.563 6.758 1.00 0.00 C ATOM 1981 O ARG A 128 -21.956 -9.549 7.406 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.150 -11.599 8.466 1.00 0.00 C ATOM 1983 CG ARG A 128 -19.541 -10.440 9.238 1.00 0.00 C ATOM 1984 CD ARG A 128 -19.689 -10.642 10.737 1.00 0.00 C ATOM 1985 NE ARG A 128 -18.906 -9.679 11.505 1.00 0.00 N ATOM 1986 CZ ARG A 128 -19.381 -8.528 11.977 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -20.635 -8.163 11.728 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -18.589 -7.745 12.699 1.00 0.00 N ATOM 0 H ARG A 128 -19.336 -9.558 6.551 1.00 0.00 H new ATOM 0 HA ARG A 128 -20.441 -12.271 6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.104 -11.863 8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.499 -12.468 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -18.485 -10.344 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.025 -9.509 8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.740 -10.554 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -19.375 -11.653 10.998 1.00 0.00 H new ATOM 0 HE ARG A 128 -17.929 -9.903 11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.241 -8.766 11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -20.991 -7.280 12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.627 -8.027 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.942 -6.861 13.066 1.00 0.00 H new ATOM 2002 N GLY A 129 -22.470 -11.057 5.821 1.00 0.00 N ATOM 2003 CA GLY A 129 -23.731 -10.428 5.481 1.00 0.00 C ATOM 2004 C GLY A 129 -24.069 -10.629 4.021 1.00 0.00 C ATOM 2005 O GLY A 129 -25.118 -11.175 3.683 1.00 0.00 O ATOM 0 H GLY A 129 -22.257 -11.895 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -24.526 -10.843 6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -23.679 -9.362 5.701 1.00 0.00 H new ATOM 2009 N ALA A 130 -23.167 -10.189 3.158 1.00 0.00 N ATOM 2010 CA ALA A 130 -23.297 -10.399 1.726 1.00 0.00 C ATOM 2011 C ALA A 130 -22.088 -11.169 1.217 1.00 0.00 C ATOM 2012 O ALA A 130 -21.289 -11.659 2.013 1.00 0.00 O ATOM 2013 CB ALA A 130 -23.433 -9.070 0.997 1.00 0.00 C ATOM 0 H ALA A 130 -22.327 -9.678 3.430 1.00 0.00 H new ATOM 0 HA ALA A 130 -24.199 -10.979 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -23.529 -9.250 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -24.318 -8.546 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -22.549 -8.460 1.184 1.00 0.00 H new ATOM 2019 N GLY A 131 -21.957 -11.289 -0.096 1.00 0.00 N ATOM 2020 CA GLY A 131 -20.818 -11.991 -0.657 1.00 0.00 C ATOM 2021 C GLY A 131 -21.104 -13.458 -0.871 1.00 0.00 C ATOM 2022 O GLY A 131 -20.204 -14.238 -1.181 1.00 0.00 O ATOM 0 H GLY A 131 -22.614 -10.916 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -20.543 -11.533 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -19.962 -11.882 0.009 1.00 0.00 H new ATOM 2026 N PHE A 132 -22.357 -13.830 -0.697 1.00 0.00 N ATOM 2027 CA PHE A 132 -22.793 -15.190 -0.935 1.00 0.00 C ATOM 2028 C PHE A 132 -23.160 -15.365 -2.402 1.00 0.00 C ATOM 2029 O PHE A 132 -23.973 -14.566 -2.912 1.00 0.00 O ATOM 2030 CB PHE A 132 -23.967 -15.561 -0.011 1.00 0.00 C ATOM 2031 CG PHE A 132 -25.111 -14.579 -0.017 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -25.075 -13.444 0.780 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -26.227 -14.795 -0.811 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -26.126 -12.546 0.782 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -27.279 -13.900 -0.812 1.00 0.00 C ATOM 2036 CZ PHE A 132 -27.227 -12.774 -0.015 1.00 0.00 C ATOM 2037 OXT PHE A 132 -22.620 -16.287 -3.043 1.00 0.00 O ATOM 0 H PHE A 132 -23.098 -13.201 -0.388 1.00 0.00 H new ATOM 0 HA PHE A 132 -21.974 -15.870 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -24.346 -16.540 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -23.593 -15.655 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -24.215 -13.260 1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -26.274 -15.674 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -26.084 -11.667 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -28.142 -14.081 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 132 -28.048 -12.073 -0.016 1.00 0.00 H new TER 2047 PHE A 132