USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 9 SER OG : rot -106:sc= 1.64 USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.139 (180deg=0) USER MOD Single : A 3 MET CE :methyl -170:sc= 0 (180deg=-0.103) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 0.884 (180deg=0.752) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.243 USER MOD Single : A 19 TYR OH : rot -158:sc= 0.558 USER MOD Single : A 35 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0.072 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.99! K(o=-2!,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 45:sc= 0.08 USER MOD Single : A 69 THR OG1 : rot 131:sc= 0.0753 USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 0.389 (180deg=0.214) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 72:sc= 0.404 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=-0.51) USER MOD Single : A 88 GLN : amide:sc= -0.935 K(o=-0.94,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.929 2.026 -10.271 1.00 23.32 N ATOM 2 CA GLY A 1 11.777 0.811 -10.167 1.00 52.11 C ATOM 3 C GLY A 1 12.634 0.638 -11.383 1.00 63.55 C ATOM 4 O GLY A 1 12.462 1.383 -12.319 1.00 41.14 O ATOM 0 H1 GLY A 1 11.210 2.709 -9.539 1.00 23.32 H new ATOM 0 H2 GLY A 1 11.051 2.455 -11.210 1.00 23.32 H new ATOM 0 H3 GLY A 1 9.931 1.766 -10.136 1.00 23.32 H new ATOM 0 HA2 GLY A 1 12.409 0.881 -9.282 1.00 52.11 H new ATOM 0 HA3 GLY A 1 11.144 -0.067 -10.038 1.00 52.11 H new ATOM 8 N ALA A 2 13.541 -0.332 -11.390 1.00 63.21 N ATOM 9 CA ALA A 2 14.408 -0.556 -12.550 1.00 74.21 C ATOM 10 C ALA A 2 13.712 -1.385 -13.640 1.00 50.05 C ATOM 11 O ALA A 2 14.252 -1.601 -14.717 1.00 60.34 O ATOM 12 CB ALA A 2 15.693 -1.255 -12.101 1.00 70.50 C ATOM 0 H ALA A 2 13.698 -0.974 -10.613 1.00 63.21 H new ATOM 0 HA ALA A 2 14.644 0.416 -12.983 1.00 74.21 H new ATOM 0 HB1 ALA A 2 16.337 -1.421 -12.964 1.00 70.50 H new ATOM 0 HB2 ALA A 2 16.213 -0.630 -11.375 1.00 70.50 H new ATOM 0 HB3 ALA A 2 15.445 -2.213 -11.643 1.00 70.50 H new ATOM 18 N MET A 3 12.524 -1.891 -13.327 1.00 60.33 N ATOM 19 CA MET A 3 11.768 -2.714 -14.273 1.00 45.44 C ATOM 20 C MET A 3 11.132 -1.860 -15.368 1.00 42.22 C ATOM 21 O MET A 3 10.953 -0.647 -15.199 1.00 30.21 O ATOM 22 CB MET A 3 10.674 -3.498 -13.557 1.00 21.43 C ATOM 23 CG MET A 3 9.575 -2.625 -12.961 1.00 31.50 C ATOM 24 SD MET A 3 8.286 -3.618 -12.212 1.00 41.30 S ATOM 25 CE MET A 3 7.396 -4.221 -13.690 1.00 41.23 C ATOM 0 H MET A 3 12.062 -1.748 -12.429 1.00 60.33 H new ATOM 0 HA MET A 3 12.474 -3.408 -14.729 1.00 45.44 H new ATOM 0 HB2 MET A 3 10.225 -4.200 -14.260 1.00 21.43 H new ATOM 0 HB3 MET A 3 11.126 -4.089 -12.761 1.00 21.43 H new ATOM 0 HG2 MET A 3 10.004 -1.958 -12.213 1.00 31.50 H new ATOM 0 HG3 MET A 3 9.145 -1.996 -13.740 1.00 31.50 H new ATOM 0 HE1 MET A 3 6.468 -4.704 -13.384 1.00 41.23 H new ATOM 0 HE2 MET A 3 7.169 -3.381 -14.346 1.00 41.23 H new ATOM 0 HE3 MET A 3 8.020 -4.939 -14.223 1.00 41.23 H new ATOM 35 N ALA A 4 10.804 -2.502 -16.489 1.00 40.03 N ATOM 36 CA ALA A 4 10.187 -1.836 -17.630 1.00 14.31 C ATOM 37 C ALA A 4 8.797 -1.261 -17.293 1.00 63.51 C ATOM 38 O ALA A 4 8.144 -1.687 -16.340 1.00 13.45 O ATOM 39 CB ALA A 4 10.076 -2.842 -18.824 1.00 64.32 C ATOM 0 H ALA A 4 10.960 -3.500 -16.629 1.00 40.03 H new ATOM 0 HA ALA A 4 10.823 -0.995 -17.906 1.00 14.31 H new ATOM 0 HB1 ALA A 4 9.615 -2.345 -19.677 1.00 64.32 H new ATOM 0 HB2 ALA A 4 11.071 -3.189 -19.101 1.00 64.32 H new ATOM 0 HB3 ALA A 4 9.464 -3.694 -18.526 1.00 64.32 H new ATOM 45 N LYS A 5 8.366 -0.322 -18.130 1.00 73.31 N ATOM 46 CA LYS A 5 7.027 0.279 -18.006 1.00 23.55 C ATOM 47 C LYS A 5 5.963 -0.796 -18.177 1.00 2.52 C ATOM 48 O LYS A 5 6.088 -1.647 -19.069 1.00 30.25 O ATOM 49 CB LYS A 5 6.836 1.374 -19.075 1.00 4.32 C ATOM 50 CG LYS A 5 5.541 2.205 -18.907 1.00 74.43 C ATOM 51 CD LYS A 5 5.292 3.158 -20.098 1.00 24.42 C ATOM 52 CE LYS A 5 4.740 2.434 -21.363 1.00 1.13 C ATOM 53 NZ LYS A 5 3.276 2.022 -21.238 1.00 75.03 N ATOM 0 H LYS A 5 8.919 0.044 -18.904 1.00 73.31 H new ATOM 0 HA LYS A 5 6.931 0.728 -17.017 1.00 23.55 H new ATOM 0 HB2 LYS A 5 7.693 2.047 -19.047 1.00 4.32 H new ATOM 0 HB3 LYS A 5 6.830 0.907 -20.060 1.00 4.32 H new ATOM 0 HG2 LYS A 5 4.691 1.531 -18.801 1.00 74.43 H new ATOM 0 HG3 LYS A 5 5.603 2.786 -17.987 1.00 74.43 H new ATOM 0 HD2 LYS A 5 4.587 3.931 -19.794 1.00 24.42 H new ATOM 0 HD3 LYS A 5 6.225 3.660 -20.354 1.00 24.42 H new ATOM 0 HE2 LYS A 5 4.852 3.091 -22.226 1.00 1.13 H new ATOM 0 HE3 LYS A 5 5.344 1.547 -21.557 1.00 1.13 H new ATOM 0 HZ1 LYS A 5 2.911 1.751 -22.173 1.00 75.03 H new ATOM 0 HZ2 LYS A 5 3.197 1.214 -20.588 1.00 75.03 H new ATOM 0 HZ3 LYS A 5 2.721 2.820 -20.868 1.00 75.03 H new ATOM 67 N ALA A 6 4.895 -0.728 -17.390 1.00 35.24 N ATOM 68 CA ALA A 6 3.785 -1.641 -17.549 1.00 2.34 C ATOM 69 C ALA A 6 3.098 -1.432 -18.877 1.00 42.32 C ATOM 70 O ALA A 6 3.111 -0.265 -19.431 1.00 33.14 O ATOM 71 CB ALA A 6 2.769 -1.426 -16.372 1.00 73.51 C ATOM 0 H ALA A 6 4.781 -0.048 -16.638 1.00 35.24 H new ATOM 0 HA ALA A 6 4.162 -2.663 -17.527 1.00 2.34 H new ATOM 0 HB1 ALA A 6 1.929 -2.112 -16.486 1.00 73.51 H new ATOM 0 HB2 ALA A 6 3.267 -1.618 -15.422 1.00 73.51 H new ATOM 0 HB3 ALA A 6 2.404 -0.399 -16.390 1.00 73.51 H new ATOM 77 N PRO A 7 2.468 -2.447 -19.496 1.00 5.13 N ATOM 78 CA PRO A 7 1.766 -2.255 -20.737 1.00 73.41 C ATOM 79 C PRO A 7 0.586 -1.334 -20.585 1.00 11.43 C ATOM 80 O PRO A 7 -0.026 -1.168 -19.491 1.00 71.51 O ATOM 81 CB PRO A 7 1.260 -3.642 -21.091 1.00 30.52 C ATOM 82 CG PRO A 7 2.127 -4.586 -20.301 1.00 42.35 C ATOM 83 CD PRO A 7 2.411 -3.863 -19.021 1.00 24.03 C ATOM 0 HA PRO A 7 2.415 -1.807 -21.490 1.00 73.41 H new ATOM 0 HB2 PRO A 7 0.209 -3.758 -20.828 1.00 30.52 H new ATOM 0 HB3 PRO A 7 1.343 -3.831 -22.161 1.00 30.52 H new ATOM 0 HG2 PRO A 7 1.617 -5.531 -20.117 1.00 42.35 H new ATOM 0 HG3 PRO A 7 3.047 -4.820 -20.836 1.00 42.35 H new ATOM 0 HD2 PRO A 7 1.628 -4.017 -18.279 1.00 24.03 H new ATOM 0 HD3 PRO A 7 3.349 -4.183 -18.567 1.00 24.03 H new ATOM 91 N GLU A 8 0.209 -0.760 -21.685 1.00 70.30 N ATOM 92 CA GLU A 8 -0.960 0.157 -21.764 1.00 10.53 C ATOM 93 C GLU A 8 -2.086 -0.666 -22.382 1.00 52.13 C ATOM 94 O GLU A 8 -1.833 -1.717 -22.964 1.00 65.21 O ATOM 95 CB GLU A 8 -0.518 1.401 -22.568 1.00 22.44 C ATOM 96 CG GLU A 8 -0.168 1.112 -24.033 1.00 5.44 C ATOM 97 CD GLU A 8 0.332 2.367 -24.718 1.00 54.31 C ATOM 98 OE1 GLU A 8 1.215 3.077 -24.106 1.00 1.22 O ATOM 99 OE2 GLU A 8 -0.113 2.662 -25.817 1.00 43.12 O ATOM 0 H GLU A 8 0.686 -0.895 -22.577 1.00 70.30 H new ATOM 0 HA GLU A 8 -1.324 0.541 -20.811 1.00 10.53 H new ATOM 0 HB2 GLU A 8 -1.316 2.142 -22.537 1.00 22.44 H new ATOM 0 HB3 GLU A 8 0.349 1.846 -22.080 1.00 22.44 H new ATOM 0 HG2 GLU A 8 0.594 0.335 -24.084 1.00 5.44 H new ATOM 0 HG3 GLU A 8 -1.046 0.732 -24.554 1.00 5.44 H new ATOM 106 N SER A 9 -3.302 -0.186 -22.251 1.00 43.33 N ATOM 107 CA SER A 9 -4.451 -0.904 -22.768 1.00 42.05 C ATOM 108 C SER A 9 -4.570 -0.757 -24.285 1.00 45.24 C ATOM 109 O SER A 9 -3.930 0.105 -24.896 1.00 34.14 O ATOM 110 CB SER A 9 -5.756 -0.462 -22.100 1.00 0.33 C ATOM 111 OG SER A 9 -6.381 0.569 -22.838 1.00 62.21 O ATOM 0 H SER A 9 -3.524 0.697 -21.792 1.00 43.33 H new ATOM 0 HA SER A 9 -4.286 -1.955 -22.530 1.00 42.05 H new ATOM 0 HB2 SER A 9 -6.431 -1.313 -22.015 1.00 0.33 H new ATOM 0 HB3 SER A 9 -5.551 -0.116 -21.087 1.00 0.33 H new ATOM 0 HG SER A 9 -6.265 1.422 -22.370 1.00 62.21 H new ATOM 117 N ALA A 10 -5.441 -1.563 -24.893 1.00 74.30 N ATOM 118 CA ALA A 10 -5.693 -1.506 -26.331 1.00 21.42 C ATOM 119 C ALA A 10 -6.251 -0.146 -26.737 1.00 14.35 C ATOM 120 O ALA A 10 -6.205 0.212 -27.899 1.00 43.44 O ATOM 121 CB ALA A 10 -6.674 -2.629 -26.721 1.00 74.14 C ATOM 0 H ALA A 10 -5.989 -2.271 -24.404 1.00 74.30 H new ATOM 0 HA ALA A 10 -4.750 -1.647 -26.859 1.00 21.42 H new ATOM 0 HB1 ALA A 10 -6.864 -2.590 -27.794 1.00 74.14 H new ATOM 0 HB2 ALA A 10 -6.241 -3.596 -26.465 1.00 74.14 H new ATOM 0 HB3 ALA A 10 -7.612 -2.497 -26.181 1.00 74.14 H new ATOM 127 N THR A 11 -6.837 0.581 -25.796 1.00 61.11 N ATOM 128 CA THR A 11 -7.445 1.877 -26.097 1.00 64.13 C ATOM 129 C THR A 11 -6.402 2.990 -26.241 1.00 0.41 C ATOM 130 O THR A 11 -6.510 3.826 -27.141 1.00 54.13 O ATOM 131 CB THR A 11 -8.441 2.251 -24.975 1.00 3.33 C ATOM 132 OG1 THR A 11 -9.254 1.108 -24.698 1.00 22.41 O ATOM 133 CG2 THR A 11 -9.361 3.369 -25.386 1.00 10.11 C ATOM 0 H THR A 11 -6.906 0.299 -24.818 1.00 61.11 H new ATOM 0 HA THR A 11 -7.961 1.783 -27.053 1.00 64.13 H new ATOM 0 HB THR A 11 -7.864 2.573 -24.108 1.00 3.33 H new ATOM 0 HG1 THR A 11 -9.892 1.325 -23.987 1.00 22.41 H new ATOM 0 HG21 THR A 11 -10.043 3.598 -24.567 1.00 10.11 H new ATOM 0 HG22 THR A 11 -8.773 4.254 -25.627 1.00 10.11 H new ATOM 0 HG23 THR A 11 -9.934 3.065 -26.262 1.00 10.11 H new ATOM 141 N GLU A 12 -5.401 2.997 -25.361 1.00 4.25 N ATOM 142 CA GLU A 12 -4.379 4.051 -25.363 1.00 71.31 C ATOM 143 C GLU A 12 -3.661 4.149 -26.699 1.00 34.20 C ATOM 144 O GLU A 12 -3.444 5.230 -27.206 1.00 11.44 O ATOM 145 CB GLU A 12 -3.307 3.800 -24.294 1.00 72.43 C ATOM 146 CG GLU A 12 -3.673 4.237 -22.875 1.00 71.30 C ATOM 147 CD GLU A 12 -4.468 3.192 -22.123 1.00 44.21 C ATOM 148 OE1 GLU A 12 -5.684 3.069 -22.369 1.00 15.32 O ATOM 149 OE2 GLU A 12 -3.877 2.448 -21.318 1.00 65.40 O ATOM 0 H GLU A 12 -5.273 2.288 -24.639 1.00 4.25 H new ATOM 0 HA GLU A 12 -4.917 4.977 -25.158 1.00 71.31 H new ATOM 0 HB2 GLU A 12 -3.077 2.735 -24.279 1.00 72.43 H new ATOM 0 HB3 GLU A 12 -2.395 4.319 -24.591 1.00 72.43 H new ATOM 0 HG2 GLU A 12 -2.760 4.459 -22.322 1.00 71.30 H new ATOM 0 HG3 GLU A 12 -4.250 5.161 -22.922 1.00 71.30 H new ATOM 156 N LYS A 13 -3.296 3.008 -27.260 1.00 72.12 N ATOM 157 CA LYS A 13 -2.535 2.977 -28.503 1.00 12.11 C ATOM 158 C LYS A 13 -3.301 3.595 -29.673 1.00 72.34 C ATOM 159 O LYS A 13 -2.697 4.206 -30.551 1.00 12.24 O ATOM 160 CB LYS A 13 -2.107 1.544 -28.845 1.00 44.54 C ATOM 161 CG LYS A 13 -3.255 0.561 -29.059 1.00 44.13 C ATOM 162 CD LYS A 13 -2.813 -0.749 -29.650 1.00 24.41 C ATOM 163 CE LYS A 13 -4.051 -1.555 -30.083 1.00 4.13 C ATOM 164 NZ LYS A 13 -3.706 -2.844 -30.787 1.00 71.24 N ATOM 0 H LYS A 13 -3.514 2.089 -26.876 1.00 72.12 H new ATOM 0 HA LYS A 13 -1.645 3.585 -28.341 1.00 12.11 H new ATOM 0 HB2 LYS A 13 -1.497 1.569 -29.748 1.00 44.54 H new ATOM 0 HB3 LYS A 13 -1.473 1.169 -28.042 1.00 44.54 H new ATOM 0 HG2 LYS A 13 -3.747 0.374 -28.104 1.00 44.13 H new ATOM 0 HG3 LYS A 13 -3.997 1.016 -29.716 1.00 44.13 H new ATOM 0 HD2 LYS A 13 -2.161 -0.574 -30.506 1.00 24.41 H new ATOM 0 HD3 LYS A 13 -2.234 -1.314 -28.919 1.00 24.41 H new ATOM 0 HE2 LYS A 13 -4.656 -1.779 -29.204 1.00 4.13 H new ATOM 0 HE3 LYS A 13 -4.663 -0.941 -30.743 1.00 4.13 H new ATOM 0 HZ1 LYS A 13 -4.581 -3.339 -31.053 1.00 71.24 H new ATOM 0 HZ2 LYS A 13 -3.153 -2.635 -31.643 1.00 71.24 H new ATOM 0 HZ3 LYS A 13 -3.146 -3.447 -30.152 1.00 71.24 H new ATOM 178 N VAL A 14 -4.621 3.448 -29.686 1.00 55.04 N ATOM 179 CA VAL A 14 -5.423 3.979 -30.790 1.00 60.15 C ATOM 180 C VAL A 14 -5.462 5.495 -30.666 1.00 13.01 C ATOM 181 O VAL A 14 -5.272 6.227 -31.629 1.00 1.33 O ATOM 182 CB VAL A 14 -6.869 3.426 -30.753 1.00 64.44 C ATOM 183 CG1 VAL A 14 -7.704 4.030 -31.882 1.00 74.25 C ATOM 184 CG2 VAL A 14 -6.856 1.878 -30.865 1.00 11.11 C ATOM 0 H VAL A 14 -5.155 2.974 -28.958 1.00 55.04 H new ATOM 0 HA VAL A 14 -4.971 3.675 -31.734 1.00 60.15 H new ATOM 0 HB VAL A 14 -7.321 3.706 -29.801 1.00 64.44 H new ATOM 0 HG11 VAL A 14 -8.717 3.630 -31.840 1.00 74.25 H new ATOM 0 HG12 VAL A 14 -7.737 5.114 -31.770 1.00 74.25 H new ATOM 0 HG13 VAL A 14 -7.254 3.778 -32.842 1.00 74.25 H new ATOM 0 HG21 VAL A 14 -7.879 1.503 -30.838 1.00 11.11 H new ATOM 0 HG22 VAL A 14 -6.387 1.585 -31.804 1.00 11.11 H new ATOM 0 HG23 VAL A 14 -6.293 1.458 -30.032 1.00 11.11 H new ATOM 194 N LEU A 15 -5.692 5.959 -29.450 1.00 44.55 N ATOM 195 CA LEU A 15 -5.794 7.383 -29.178 1.00 20.43 C ATOM 196 C LEU A 15 -4.474 8.093 -29.385 1.00 70.21 C ATOM 197 O LEU A 15 -4.422 9.181 -29.916 1.00 33.14 O ATOM 198 CB LEU A 15 -6.251 7.587 -27.735 1.00 34.05 C ATOM 199 CG LEU A 15 -7.676 7.122 -27.421 1.00 2.41 C ATOM 200 CD1 LEU A 15 -7.729 6.870 -25.941 1.00 21.43 C ATOM 201 CD2 LEU A 15 -8.699 8.142 -27.834 1.00 22.51 C ATOM 0 H LEU A 15 -5.813 5.365 -28.629 1.00 44.55 H new ATOM 0 HA LEU A 15 -6.517 7.807 -29.875 1.00 20.43 H new ATOM 0 HB2 LEU A 15 -5.562 7.058 -27.076 1.00 34.05 H new ATOM 0 HB3 LEU A 15 -6.172 8.647 -27.494 1.00 34.05 H new ATOM 0 HG LEU A 15 -7.914 6.218 -27.982 1.00 2.41 H new ATOM 0 HD11 LEU A 15 -8.729 6.535 -25.665 1.00 21.43 H new ATOM 0 HD12 LEU A 15 -7.003 6.102 -25.677 1.00 21.43 H new ATOM 0 HD13 LEU A 15 -7.494 7.791 -25.407 1.00 21.43 H new ATOM 0 HD21 LEU A 15 -9.697 7.774 -27.594 1.00 22.51 H new ATOM 0 HD22 LEU A 15 -8.518 9.075 -27.301 1.00 22.51 H new ATOM 0 HD23 LEU A 15 -8.625 8.317 -28.907 1.00 22.51 H new ATOM 213 N CYS A 16 -3.403 7.456 -28.951 1.00 25.33 N ATOM 214 CA CYS A 16 -2.072 8.029 -29.078 1.00 24.20 C ATOM 215 C CYS A 16 -1.767 8.199 -30.571 1.00 11.52 C ATOM 216 O CYS A 16 -1.314 9.258 -30.993 1.00 63.10 O ATOM 217 CB CYS A 16 -1.054 7.080 -28.425 1.00 63.02 C ATOM 218 SG CYS A 16 0.546 7.866 -28.045 1.00 22.13 S ATOM 0 H CYS A 16 -3.427 6.539 -28.506 1.00 25.33 H new ATOM 0 HA CYS A 16 -2.014 8.998 -28.581 1.00 24.20 H new ATOM 0 HB2 CYS A 16 -1.481 6.682 -27.504 1.00 63.02 H new ATOM 0 HB3 CYS A 16 -0.883 6.233 -29.089 1.00 63.02 H new ATOM 0 HG CYS A 16 1.338 6.994 -27.496 1.00 22.13 H new ATOM 224 N ALA A 17 -2.038 7.168 -31.365 1.00 64.20 N ATOM 225 CA ALA A 17 -1.752 7.267 -32.778 1.00 73.35 C ATOM 226 C ALA A 17 -2.606 8.353 -33.439 1.00 34.11 C ATOM 227 O ALA A 17 -2.127 9.138 -34.242 1.00 10.24 O ATOM 228 CB ALA A 17 -2.000 5.913 -33.430 1.00 10.41 C ATOM 0 H ALA A 17 -2.443 6.283 -31.060 1.00 64.20 H new ATOM 0 HA ALA A 17 -0.708 7.549 -32.912 1.00 73.35 H new ATOM 0 HB1 ALA A 17 -1.787 5.978 -34.497 1.00 10.41 H new ATOM 0 HB2 ALA A 17 -1.350 5.166 -32.975 1.00 10.41 H new ATOM 0 HB3 ALA A 17 -3.041 5.625 -33.285 1.00 10.41 H new ATOM 234 N LEU A 18 -3.875 8.415 -33.067 1.00 1.33 N ATOM 235 CA LEU A 18 -4.799 9.404 -33.607 1.00 22.20 C ATOM 236 C LEU A 18 -4.361 10.827 -33.303 1.00 41.41 C ATOM 237 O LEU A 18 -4.593 11.718 -34.106 1.00 43.23 O ATOM 238 CB LEU A 18 -6.204 9.183 -33.045 1.00 34.23 C ATOM 239 CG LEU A 18 -7.265 8.640 -34.017 1.00 65.11 C ATOM 240 CD1 LEU A 18 -6.827 7.311 -34.667 1.00 23.24 C ATOM 241 CD2 LEU A 18 -8.581 8.451 -33.236 1.00 31.25 C ATOM 0 H LEU A 18 -4.294 7.784 -32.384 1.00 1.33 H new ATOM 0 HA LEU A 18 -4.803 9.273 -34.689 1.00 22.20 H new ATOM 0 HB2 LEU A 18 -6.129 8.493 -32.205 1.00 34.23 H new ATOM 0 HB3 LEU A 18 -6.563 10.132 -32.646 1.00 34.23 H new ATOM 0 HG LEU A 18 -7.401 9.354 -34.829 1.00 65.11 H new ATOM 0 HD11 LEU A 18 -7.606 6.964 -35.346 1.00 23.24 H new ATOM 0 HD12 LEU A 18 -5.903 7.466 -35.224 1.00 23.24 H new ATOM 0 HD13 LEU A 18 -6.662 6.563 -33.891 1.00 23.24 H new ATOM 0 HD21 LEU A 18 -9.350 8.066 -33.906 1.00 31.25 H new ATOM 0 HD22 LEU A 18 -8.422 7.744 -32.421 1.00 31.25 H new ATOM 0 HD23 LEU A 18 -8.903 9.409 -32.828 1.00 31.25 H new ATOM 253 N TYR A 19 -3.706 11.054 -32.165 1.00 24.53 N ATOM 254 CA TYR A 19 -3.213 12.383 -31.844 1.00 24.34 C ATOM 255 C TYR A 19 -2.166 12.794 -32.893 1.00 43.20 C ATOM 256 O TYR A 19 -2.281 13.837 -33.495 1.00 65.43 O ATOM 257 CB TYR A 19 -2.549 12.412 -30.467 1.00 34.31 C ATOM 258 CG TYR A 19 -3.426 12.815 -29.308 1.00 34.12 C ATOM 259 CD1 TYR A 19 -4.714 12.257 -29.127 1.00 54.31 C ATOM 260 CD2 TYR A 19 -2.961 13.746 -28.345 1.00 70.10 C ATOM 261 CE1 TYR A 19 -5.507 12.620 -27.995 1.00 64.40 C ATOM 262 CE2 TYR A 19 -3.758 14.112 -27.241 1.00 53.45 C ATOM 263 CZ TYR A 19 -5.024 13.543 -27.073 1.00 72.10 C ATOM 264 OH TYR A 19 -5.796 13.869 -25.978 1.00 21.21 O ATOM 0 H TYR A 19 -3.509 10.342 -31.462 1.00 24.53 H new ATOM 0 HA TYR A 19 -4.060 13.069 -31.841 1.00 24.34 H new ATOM 0 HB2 TYR A 19 -2.145 11.421 -30.261 1.00 34.31 H new ATOM 0 HB3 TYR A 19 -1.703 13.098 -30.510 1.00 34.31 H new ATOM 0 HD1 TYR A 19 -5.100 11.552 -29.849 1.00 54.31 H new ATOM 0 HD2 TYR A 19 -1.980 14.182 -28.459 1.00 70.10 H new ATOM 0 HE1 TYR A 19 -6.482 12.177 -27.855 1.00 64.40 H new ATOM 0 HE2 TYR A 19 -3.390 14.832 -26.525 1.00 53.45 H new ATOM 0 HH TYR A 19 -5.516 14.740 -25.628 1.00 21.21 H new ATOM 274 N ALA A 20 -1.153 11.954 -33.107 1.00 20.04 N ATOM 275 CA ALA A 20 -0.056 12.302 -34.013 1.00 51.54 C ATOM 276 C ALA A 20 -0.563 12.578 -35.413 1.00 24.04 C ATOM 277 O ALA A 20 -0.170 13.567 -36.029 1.00 3.23 O ATOM 278 CB ALA A 20 0.979 11.181 -34.054 1.00 64.45 C ATOM 0 H ALA A 20 -1.068 11.036 -32.670 1.00 20.04 H new ATOM 0 HA ALA A 20 0.410 13.210 -33.630 1.00 51.54 H new ATOM 0 HB1 ALA A 20 1.787 11.456 -34.732 1.00 64.45 H new ATOM 0 HB2 ALA A 20 1.383 11.022 -33.054 1.00 64.45 H new ATOM 0 HB3 ALA A 20 0.508 10.263 -34.405 1.00 64.45 H new ATOM 284 N GLU A 21 -1.433 11.697 -35.924 1.00 10.23 N ATOM 285 CA GLU A 21 -1.935 11.824 -37.276 1.00 20.13 C ATOM 286 C GLU A 21 -2.763 13.101 -37.495 1.00 65.22 C ATOM 287 O GLU A 21 -2.745 13.685 -38.569 1.00 3.22 O ATOM 288 CB GLU A 21 -2.790 10.595 -37.618 1.00 2.32 C ATOM 289 CG GLU A 21 -2.029 9.269 -37.682 1.00 73.20 C ATOM 290 CD GLU A 21 -0.934 9.281 -38.727 1.00 34.10 C ATOM 291 OE1 GLU A 21 -1.238 9.580 -39.907 1.00 1.12 O ATOM 292 OE2 GLU A 21 0.227 8.974 -38.387 1.00 32.33 O ATOM 0 H GLU A 21 -1.797 10.893 -35.413 1.00 10.23 H new ATOM 0 HA GLU A 21 -1.069 11.891 -37.934 1.00 20.13 H new ATOM 0 HB2 GLU A 21 -3.582 10.505 -36.875 1.00 2.32 H new ATOM 0 HB3 GLU A 21 -3.273 10.765 -38.580 1.00 2.32 H new ATOM 0 HG2 GLU A 21 -1.593 9.056 -36.706 1.00 73.20 H new ATOM 0 HG3 GLU A 21 -2.728 8.462 -37.902 1.00 73.20 H new ATOM 299 N ILE A 22 -3.527 13.501 -36.497 1.00 24.44 N ATOM 300 CA ILE A 22 -4.386 14.674 -36.599 1.00 14.33 C ATOM 301 C ILE A 22 -3.614 15.971 -36.314 1.00 41.24 C ATOM 302 O ILE A 22 -3.844 16.994 -36.970 1.00 61.54 O ATOM 303 CB ILE A 22 -5.601 14.505 -35.637 1.00 43.25 C ATOM 304 CG1 ILE A 22 -6.487 13.378 -36.181 1.00 51.02 C ATOM 305 CG2 ILE A 22 -6.395 15.824 -35.474 1.00 54.30 C ATOM 306 CD1 ILE A 22 -7.626 13.020 -35.293 1.00 73.10 C ATOM 0 H ILE A 22 -3.573 13.027 -35.595 1.00 24.44 H new ATOM 0 HA ILE A 22 -4.753 14.755 -37.622 1.00 14.33 H new ATOM 0 HB ILE A 22 -5.243 14.246 -34.641 1.00 43.25 H new ATOM 0 HG12 ILE A 22 -6.878 13.675 -37.154 1.00 51.02 H new ATOM 0 HG13 ILE A 22 -5.872 12.492 -36.341 1.00 51.02 H new ATOM 0 HG21 ILE A 22 -7.233 15.663 -34.796 1.00 54.30 H new ATOM 0 HG22 ILE A 22 -5.741 16.594 -35.066 1.00 54.30 H new ATOM 0 HG23 ILE A 22 -6.771 16.145 -36.446 1.00 54.30 H new ATOM 0 HD11 ILE A 22 -8.204 12.216 -35.749 1.00 73.10 H new ATOM 0 HD12 ILE A 22 -7.244 12.690 -34.327 1.00 73.10 H new ATOM 0 HD13 ILE A 22 -8.265 13.891 -35.152 1.00 73.10 H new ATOM 318 N LEU A 23 -2.699 15.926 -35.366 1.00 43.45 N ATOM 319 CA LEU A 23 -1.889 17.096 -34.999 1.00 22.23 C ATOM 320 C LEU A 23 -0.803 17.353 -36.037 1.00 72.12 C ATOM 321 O LEU A 23 -0.348 18.480 -36.179 1.00 51.24 O ATOM 322 CB LEU A 23 -1.260 16.896 -33.626 1.00 50.44 C ATOM 323 CG LEU A 23 -2.262 16.889 -32.451 1.00 53.33 C ATOM 324 CD1 LEU A 23 -1.620 16.250 -31.229 1.00 44.24 C ATOM 325 CD2 LEU A 23 -2.722 18.294 -32.106 1.00 32.32 C ATOM 0 H LEU A 23 -2.488 15.088 -34.825 1.00 43.45 H new ATOM 0 HA LEU A 23 -2.546 17.965 -34.965 1.00 22.23 H new ATOM 0 HB2 LEU A 23 -0.714 15.953 -33.626 1.00 50.44 H new ATOM 0 HB3 LEU A 23 -0.529 17.687 -33.458 1.00 50.44 H new ATOM 0 HG LEU A 23 -3.133 16.310 -32.757 1.00 53.33 H new ATOM 0 HD11 LEU A 23 -2.332 16.248 -30.403 1.00 44.24 H new ATOM 0 HD12 LEU A 23 -1.333 15.225 -31.463 1.00 44.24 H new ATOM 0 HD13 LEU A 23 -0.735 16.819 -30.944 1.00 44.24 H new ATOM 0 HD21 LEU A 23 -3.426 18.253 -31.275 1.00 32.32 H new ATOM 0 HD22 LEU A 23 -1.861 18.899 -31.822 1.00 32.32 H new ATOM 0 HD23 LEU A 23 -3.209 18.740 -32.973 1.00 32.32 H new ATOM 337 N GLY A 24 -0.401 16.312 -36.758 1.00 12.53 N ATOM 338 CA GLY A 24 0.622 16.453 -37.781 1.00 70.21 C ATOM 339 C GLY A 24 2.017 16.534 -37.190 1.00 42.31 C ATOM 340 O GLY A 24 2.890 17.189 -37.742 1.00 43.01 O ATOM 0 H GLY A 24 -0.768 15.366 -36.652 1.00 12.53 H new ATOM 0 HA2 GLY A 24 0.568 15.606 -38.465 1.00 70.21 H new ATOM 0 HA3 GLY A 24 0.425 17.350 -38.368 1.00 70.21 H new ATOM 344 N VAL A 25 2.221 15.860 -36.071 1.00 75.01 N ATOM 345 CA VAL A 25 3.513 15.853 -35.389 1.00 1.52 C ATOM 346 C VAL A 25 4.168 14.504 -35.557 1.00 61.14 C ATOM 347 O VAL A 25 3.502 13.514 -35.767 1.00 61.54 O ATOM 348 CB VAL A 25 3.371 16.210 -33.874 1.00 31.32 C ATOM 349 CG1 VAL A 25 2.882 17.644 -33.720 1.00 31.14 C ATOM 350 CG2 VAL A 25 2.407 15.251 -33.138 1.00 24.34 C ATOM 0 H VAL A 25 1.502 15.303 -35.608 1.00 75.01 H new ATOM 0 HA VAL A 25 4.141 16.620 -35.843 1.00 1.52 H new ATOM 0 HB VAL A 25 4.357 16.103 -33.421 1.00 31.32 H new ATOM 0 HG11 VAL A 25 2.786 17.884 -32.661 1.00 31.14 H new ATOM 0 HG12 VAL A 25 3.597 18.324 -34.183 1.00 31.14 H new ATOM 0 HG13 VAL A 25 1.912 17.752 -34.206 1.00 31.14 H new ATOM 0 HG21 VAL A 25 2.340 15.538 -32.088 1.00 24.34 H new ATOM 0 HG22 VAL A 25 1.419 15.308 -33.594 1.00 24.34 H new ATOM 0 HG23 VAL A 25 2.782 14.230 -33.212 1.00 24.34 H new ATOM 360 N GLU A 26 5.493 14.489 -35.524 1.00 30.20 N ATOM 361 CA GLU A 26 6.265 13.272 -35.775 1.00 74.41 C ATOM 362 C GLU A 26 5.980 12.182 -34.751 1.00 63.12 C ATOM 363 O GLU A 26 5.856 11.005 -35.085 1.00 15.32 O ATOM 364 CB GLU A 26 7.768 13.621 -35.753 1.00 63.05 C ATOM 365 CG GLU A 26 8.696 12.489 -36.171 1.00 32.15 C ATOM 366 CD GLU A 26 10.121 12.694 -35.649 1.00 13.52 C ATOM 367 OE1 GLU A 26 10.270 12.819 -34.411 1.00 24.45 O ATOM 368 OE2 GLU A 26 11.089 12.679 -36.439 1.00 61.11 O ATOM 0 H GLU A 26 6.063 15.311 -35.325 1.00 30.20 H new ATOM 0 HA GLU A 26 5.971 12.883 -36.750 1.00 74.41 H new ATOM 0 HB2 GLU A 26 7.938 14.472 -36.412 1.00 63.05 H new ATOM 0 HB3 GLU A 26 8.037 13.939 -34.746 1.00 63.05 H new ATOM 0 HG2 GLU A 26 8.305 11.543 -35.797 1.00 32.15 H new ATOM 0 HG3 GLU A 26 8.715 12.418 -37.259 1.00 32.15 H new ATOM 375 N ARG A 27 5.914 12.574 -33.493 1.00 32.33 N ATOM 376 CA ARG A 27 5.670 11.647 -32.383 1.00 54.10 C ATOM 377 C ARG A 27 4.864 12.383 -31.349 1.00 5.22 C ATOM 378 O ARG A 27 4.778 13.612 -31.373 1.00 72.40 O ATOM 379 CB ARG A 27 6.989 11.222 -31.753 1.00 33.32 C ATOM 380 CG ARG A 27 7.648 10.034 -32.453 1.00 21.05 C ATOM 381 CD ARG A 27 9.053 9.720 -31.983 1.00 52.33 C ATOM 382 NE ARG A 27 10.059 10.636 -32.542 1.00 70.32 N ATOM 383 CZ ARG A 27 11.371 10.604 -32.307 1.00 24.51 C ATOM 384 NH1 ARG A 27 11.913 9.726 -31.499 1.00 63.32 N ATOM 385 NH2 ARG A 27 12.157 11.474 -32.889 1.00 72.11 N ATOM 0 H ARG A 27 6.027 13.545 -33.202 1.00 32.33 H new ATOM 0 HA ARG A 27 5.148 10.761 -32.745 1.00 54.10 H new ATOM 0 HB2 ARG A 27 7.677 12.067 -31.766 1.00 33.32 H new ATOM 0 HB3 ARG A 27 6.817 10.967 -30.707 1.00 33.32 H new ATOM 0 HG2 ARG A 27 7.025 9.152 -32.305 1.00 21.05 H new ATOM 0 HG3 ARG A 27 7.674 10.230 -33.525 1.00 21.05 H new ATOM 0 HD2 ARG A 27 9.087 9.771 -30.895 1.00 52.33 H new ATOM 0 HD3 ARG A 27 9.305 8.697 -32.262 1.00 52.33 H new ATOM 0 HE ARG A 27 9.720 11.365 -33.169 1.00 70.32 H new ATOM 0 HH11 ARG A 27 11.327 9.038 -31.026 1.00 63.32 H new ATOM 0 HH12 ARG A 27 12.921 9.731 -31.343 1.00 63.32 H new ATOM 0 HH21 ARG A 27 11.765 12.173 -33.520 1.00 72.11 H new ATOM 0 HH22 ARG A 27 13.161 11.453 -32.712 1.00 72.11 H new ATOM 399 N VAL A 28 4.247 11.617 -30.439 1.00 2.12 N ATOM 400 CA VAL A 28 3.394 12.165 -29.422 1.00 61.14 C ATOM 401 C VAL A 28 3.568 11.262 -28.185 1.00 62.40 C ATOM 402 O VAL A 28 3.760 10.041 -28.324 1.00 62.21 O ATOM 403 CB VAL A 28 1.912 12.196 -29.958 1.00 15.41 C ATOM 404 CG1 VAL A 28 1.353 10.826 -30.260 1.00 74.34 C ATOM 405 CG2 VAL A 28 0.975 12.932 -28.979 1.00 42.13 C ATOM 0 H VAL A 28 4.337 10.602 -30.403 1.00 2.12 H new ATOM 0 HA VAL A 28 3.647 13.191 -29.156 1.00 61.14 H new ATOM 0 HB VAL A 28 1.958 12.743 -30.900 1.00 15.41 H new ATOM 0 HG11 VAL A 28 0.330 10.923 -30.624 1.00 74.34 H new ATOM 0 HG12 VAL A 28 1.965 10.343 -31.021 1.00 74.34 H new ATOM 0 HG13 VAL A 28 1.359 10.222 -29.352 1.00 74.34 H new ATOM 0 HG21 VAL A 28 -0.039 12.935 -29.379 1.00 42.13 H new ATOM 0 HG22 VAL A 28 0.983 12.423 -28.015 1.00 42.13 H new ATOM 0 HG23 VAL A 28 1.317 13.959 -28.850 1.00 42.13 H new ATOM 415 N GLY A 29 3.515 11.828 -26.998 1.00 53.30 N ATOM 416 CA GLY A 29 3.607 11.058 -25.772 1.00 63.41 C ATOM 417 C GLY A 29 2.256 10.599 -25.262 1.00 12.12 C ATOM 418 O GLY A 29 1.220 11.088 -25.693 1.00 43.11 O ATOM 0 H GLY A 29 3.407 12.832 -26.854 1.00 53.30 H new ATOM 0 HA2 GLY A 29 4.241 10.187 -25.942 1.00 63.41 H new ATOM 0 HA3 GLY A 29 4.093 11.661 -25.005 1.00 63.41 H new ATOM 422 N VAL A 30 2.238 9.676 -24.306 1.00 12.32 N ATOM 423 CA VAL A 30 0.978 9.221 -23.702 1.00 20.23 C ATOM 424 C VAL A 30 0.442 10.296 -22.748 1.00 63.12 C ATOM 425 O VAL A 30 -0.716 10.292 -22.337 1.00 42.34 O ATOM 426 CB VAL A 30 1.158 7.892 -22.921 1.00 62.24 C ATOM 427 CG1 VAL A 30 1.279 6.712 -23.899 1.00 65.32 C ATOM 428 CG2 VAL A 30 2.380 7.941 -21.979 1.00 74.05 C ATOM 0 H VAL A 30 3.073 9.227 -23.930 1.00 12.32 H new ATOM 0 HA VAL A 30 0.270 9.046 -24.512 1.00 20.23 H new ATOM 0 HB VAL A 30 0.273 7.751 -22.300 1.00 62.24 H new ATOM 0 HG11 VAL A 30 1.405 5.786 -23.338 1.00 65.32 H new ATOM 0 HG12 VAL A 30 0.376 6.649 -24.506 1.00 65.32 H new ATOM 0 HG13 VAL A 30 2.142 6.864 -24.547 1.00 65.32 H new ATOM 0 HG21 VAL A 30 2.471 6.992 -21.451 1.00 74.05 H new ATOM 0 HG22 VAL A 30 3.283 8.119 -22.563 1.00 74.05 H new ATOM 0 HG23 VAL A 30 2.250 8.747 -21.257 1.00 74.05 H new ATOM 438 N ASP A 31 1.317 11.214 -22.411 1.00 43.14 N ATOM 439 CA ASP A 31 1.035 12.287 -21.483 1.00 31.24 C ATOM 440 C ASP A 31 1.024 13.630 -22.217 1.00 62.13 C ATOM 441 O ASP A 31 1.085 14.689 -21.609 1.00 71.23 O ATOM 442 CB ASP A 31 2.109 12.300 -20.385 1.00 43.02 C ATOM 443 CG ASP A 31 3.538 12.497 -20.928 1.00 70.15 C ATOM 444 OD1 ASP A 31 3.913 11.811 -21.926 1.00 34.45 O ATOM 445 OD2 ASP A 31 4.333 13.205 -20.281 1.00 73.41 O ATOM 0 H ASP A 31 2.267 11.237 -22.782 1.00 43.14 H new ATOM 0 HA ASP A 31 0.055 12.128 -21.034 1.00 31.24 H new ATOM 0 HB2 ASP A 31 1.884 13.098 -19.677 1.00 43.02 H new ATOM 0 HB3 ASP A 31 2.064 11.361 -19.833 1.00 43.02 H new ATOM 450 N ASP A 32 0.938 13.572 -23.537 1.00 25.03 N ATOM 451 CA ASP A 32 1.037 14.790 -24.353 1.00 71.13 C ATOM 452 C ASP A 32 -0.300 15.505 -24.440 1.00 72.55 C ATOM 453 O ASP A 32 -1.294 14.905 -24.865 1.00 11.23 O ATOM 454 CB ASP A 32 1.479 14.408 -25.747 1.00 13.53 C ATOM 455 CG ASP A 32 2.551 15.307 -26.277 1.00 30.32 C ATOM 456 OD1 ASP A 32 2.602 16.493 -25.893 1.00 51.55 O ATOM 457 OD2 ASP A 32 3.365 14.810 -27.081 1.00 20.43 O ATOM 0 H ASP A 32 0.802 12.712 -24.068 1.00 25.03 H new ATOM 0 HA ASP A 32 1.758 15.462 -23.886 1.00 71.13 H new ATOM 0 HB2 ASP A 32 1.842 13.380 -25.740 1.00 13.53 H new ATOM 0 HB3 ASP A 32 0.620 14.438 -26.418 1.00 13.53 H new ATOM 462 N ALA A 33 -0.368 16.752 -24.027 1.00 31.24 N ATOM 463 CA ALA A 33 -1.630 17.471 -24.083 1.00 61.32 C ATOM 464 C ALA A 33 -1.907 17.852 -25.537 1.00 74.34 C ATOM 465 O ALA A 33 -1.054 18.408 -26.204 1.00 13.14 O ATOM 466 CB ALA A 33 -1.591 18.712 -23.190 1.00 14.22 C ATOM 0 H ALA A 33 0.418 17.285 -23.655 1.00 31.24 H new ATOM 0 HA ALA A 33 -2.433 16.833 -23.712 1.00 61.32 H new ATOM 0 HB1 ALA A 33 -2.547 19.233 -23.249 1.00 14.22 H new ATOM 0 HB2 ALA A 33 -1.404 18.412 -22.159 1.00 14.22 H new ATOM 0 HB3 ALA A 33 -0.794 19.376 -23.525 1.00 14.22 H new ATOM 472 N PHE A 34 -3.117 17.586 -26.003 1.00 71.51 N ATOM 473 CA PHE A 34 -3.500 17.863 -27.386 1.00 1.33 C ATOM 474 C PHE A 34 -3.237 19.322 -27.781 1.00 53.11 C ATOM 475 O PHE A 34 -2.848 19.620 -28.912 1.00 41.45 O ATOM 476 CB PHE A 34 -4.995 17.545 -27.554 1.00 13.33 C ATOM 477 CG PHE A 34 -5.472 17.602 -28.983 1.00 43.22 C ATOM 478 CD1 PHE A 34 -5.323 16.483 -29.827 1.00 21.52 C ATOM 479 CD2 PHE A 34 -6.096 18.765 -29.495 1.00 21.43 C ATOM 480 CE1 PHE A 34 -5.796 16.508 -31.171 1.00 13.34 C ATOM 481 CE2 PHE A 34 -6.575 18.804 -30.838 1.00 21.23 C ATOM 482 CZ PHE A 34 -6.430 17.674 -31.667 1.00 63.31 C ATOM 0 H PHE A 34 -3.861 17.174 -25.440 1.00 71.51 H new ATOM 0 HA PHE A 34 -2.892 17.237 -28.040 1.00 1.33 H new ATOM 0 HB2 PHE A 34 -5.193 16.550 -27.154 1.00 13.33 H new ATOM 0 HB3 PHE A 34 -5.576 18.249 -26.958 1.00 13.33 H new ATOM 0 HD1 PHE A 34 -4.843 15.593 -29.449 1.00 21.52 H new ATOM 0 HD2 PHE A 34 -6.211 19.632 -28.862 1.00 21.43 H new ATOM 0 HE1 PHE A 34 -5.672 15.644 -31.807 1.00 13.34 H new ATOM 0 HE2 PHE A 34 -7.048 19.697 -31.218 1.00 21.23 H new ATOM 0 HZ PHE A 34 -6.802 17.697 -32.681 1.00 63.31 H new ATOM 492 N HIS A 35 -3.449 20.230 -26.841 1.00 11.11 N ATOM 493 CA HIS A 35 -3.260 21.655 -27.101 1.00 25.03 C ATOM 494 C HIS A 35 -1.802 22.105 -27.016 1.00 21.32 C ATOM 495 O HIS A 35 -1.488 23.202 -27.452 1.00 1.14 O ATOM 496 CB HIS A 35 -4.122 22.482 -26.147 1.00 43.22 C ATOM 497 CG HIS A 35 -3.826 22.246 -24.701 1.00 20.04 C ATOM 498 ND1 HIS A 35 -4.677 21.613 -23.833 1.00 3.52 N ATOM 499 CD2 HIS A 35 -2.746 22.595 -23.938 1.00 73.12 C ATOM 500 CE1 HIS A 35 -4.111 21.605 -22.624 1.00 4.23 C ATOM 501 NE2 HIS A 35 -2.929 22.183 -22.634 1.00 13.51 N ATOM 0 H HIS A 35 -3.751 20.010 -25.892 1.00 11.11 H new ATOM 0 HA HIS A 35 -3.573 21.823 -28.131 1.00 25.03 H new ATOM 0 HB2 HIS A 35 -3.979 23.540 -26.369 1.00 43.22 H new ATOM 0 HB3 HIS A 35 -5.172 22.256 -26.334 1.00 43.22 H new ATOM 0 HD2 HIS A 35 -1.875 23.118 -24.304 1.00 73.12 H new ATOM 0 HE1 HIS A 35 -4.568 21.176 -21.744 1.00 4.23 H new ATOM 0 HE2 HIS A 35 -2.288 22.301 -21.849 1.00 13.51 H new ATOM 509 N ASP A 36 -0.904 21.296 -26.466 1.00 70.44 N ATOM 510 CA ASP A 36 0.499 21.715 -26.318 1.00 63.41 C ATOM 511 C ASP A 36 1.186 21.669 -27.680 1.00 24.55 C ATOM 512 O ASP A 36 1.991 22.528 -28.010 1.00 1.22 O ATOM 513 CB ASP A 36 1.230 20.808 -25.327 1.00 40.34 C ATOM 514 CG ASP A 36 2.506 21.445 -24.799 1.00 15.21 C ATOM 515 OD1 ASP A 36 2.389 22.555 -24.220 1.00 33.13 O ATOM 516 OD2 ASP A 36 3.592 20.847 -24.894 1.00 1.21 O ATOM 0 H ASP A 36 -1.110 20.360 -26.118 1.00 70.44 H new ATOM 0 HA ASP A 36 0.527 22.734 -25.931 1.00 63.41 H new ATOM 0 HB2 ASP A 36 0.569 20.577 -24.492 1.00 40.34 H new ATOM 0 HB3 ASP A 36 1.472 19.863 -25.813 1.00 40.34 H new ATOM 521 N LEU A 37 0.765 20.713 -28.499 1.00 74.44 N ATOM 522 CA LEU A 37 1.232 20.590 -29.888 1.00 21.23 C ATOM 523 C LEU A 37 0.506 21.605 -30.771 1.00 42.10 C ATOM 524 O LEU A 37 0.532 21.517 -31.991 1.00 43.02 O ATOM 525 CB LEU A 37 0.984 19.171 -30.431 1.00 24.25 C ATOM 526 CG LEU A 37 1.692 17.949 -29.815 1.00 21.33 C ATOM 527 CD1 LEU A 37 3.144 18.216 -29.402 1.00 74.33 C ATOM 528 CD2 LEU A 37 0.923 17.402 -28.625 1.00 31.24 C ATOM 0 H LEU A 37 0.091 19.998 -28.226 1.00 74.44 H new ATOM 0 HA LEU A 37 2.304 20.786 -29.904 1.00 21.23 H new ATOM 0 HB2 LEU A 37 -0.088 18.986 -30.363 1.00 24.25 H new ATOM 0 HB3 LEU A 37 1.238 19.186 -31.491 1.00 24.25 H new ATOM 0 HG LEU A 37 1.715 17.207 -30.613 1.00 21.33 H new ATOM 0 HD11 LEU A 37 3.574 17.309 -28.977 1.00 74.33 H new ATOM 0 HD12 LEU A 37 3.722 18.517 -30.276 1.00 74.33 H new ATOM 0 HD13 LEU A 37 3.170 19.013 -28.658 1.00 74.33 H new ATOM 0 HD21 LEU A 37 1.451 16.541 -28.215 1.00 31.24 H new ATOM 0 HD22 LEU A 37 0.839 18.174 -27.860 1.00 31.24 H new ATOM 0 HD23 LEU A 37 -0.074 17.098 -28.944 1.00 31.24 H new ATOM 540 N GLY A 38 -0.181 22.557 -30.152 1.00 33.33 N ATOM 541 CA GLY A 38 -0.890 23.585 -30.905 1.00 4.03 C ATOM 542 C GLY A 38 -2.247 23.141 -31.405 1.00 30.14 C ATOM 543 O GLY A 38 -2.843 23.780 -32.262 1.00 21.14 O ATOM 0 H GLY A 38 -0.262 22.639 -29.139 1.00 33.33 H new ATOM 0 HA2 GLY A 38 -1.015 24.465 -30.274 1.00 4.03 H new ATOM 0 HA3 GLY A 38 -0.279 23.887 -31.756 1.00 4.03 H new ATOM 547 N GLY A 39 -2.751 22.053 -30.847 1.00 53.12 N ATOM 548 CA GLY A 39 -4.046 21.514 -31.254 1.00 71.13 C ATOM 549 C GLY A 39 -5.208 22.449 -30.942 1.00 65.51 C ATOM 550 O GLY A 39 -5.591 22.626 -29.784 1.00 11.53 O ATOM 0 H GLY A 39 -2.286 21.523 -30.110 1.00 53.12 H new ATOM 0 HA2 GLY A 39 -4.028 21.311 -32.325 1.00 71.13 H new ATOM 0 HA3 GLY A 39 -4.210 20.561 -30.752 1.00 71.13 H new ATOM 554 N SER A 40 -5.784 23.022 -31.989 1.00 12.44 N ATOM 555 CA SER A 40 -6.900 23.936 -31.863 1.00 4.44 C ATOM 556 C SER A 40 -8.133 23.238 -31.305 1.00 33.30 C ATOM 557 O SER A 40 -8.323 22.049 -31.518 1.00 23.04 O ATOM 558 CB SER A 40 -7.214 24.512 -33.241 1.00 72.11 C ATOM 559 OG SER A 40 -8.384 25.352 -33.204 1.00 64.22 O ATOM 0 H SER A 40 -5.486 22.863 -32.951 1.00 12.44 H new ATOM 0 HA SER A 40 -6.627 24.730 -31.168 1.00 4.44 H new ATOM 0 HB2 SER A 40 -6.361 25.089 -33.599 1.00 72.11 H new ATOM 0 HB3 SER A 40 -7.370 23.699 -33.950 1.00 72.11 H new ATOM 0 HG SER A 40 -8.560 25.708 -34.100 1.00 64.22 H new ATOM 565 N SER A 41 -8.998 23.981 -30.634 1.00 51.42 N ATOM 566 CA SER A 41 -10.264 23.432 -30.145 1.00 2.42 C ATOM 567 C SER A 41 -11.143 22.973 -31.314 1.00 21.43 C ATOM 568 O SER A 41 -11.931 22.028 -31.189 1.00 13.12 O ATOM 569 CB SER A 41 -10.988 24.497 -29.330 1.00 2.21 C ATOM 570 OG SER A 41 -10.052 25.306 -28.638 1.00 41.51 O ATOM 0 H SER A 41 -8.852 24.966 -30.413 1.00 51.42 H new ATOM 0 HA SER A 41 -10.058 22.566 -29.516 1.00 2.42 H new ATOM 0 HB2 SER A 41 -11.598 25.116 -29.988 1.00 2.21 H new ATOM 0 HB3 SER A 41 -11.665 24.023 -28.619 1.00 2.21 H new ATOM 0 HG SER A 41 -10.529 25.987 -28.120 1.00 41.51 H new ATOM 576 N ALA A 42 -10.961 23.592 -32.472 1.00 22.15 N ATOM 577 CA ALA A 42 -11.665 23.177 -33.677 1.00 1.55 C ATOM 578 C ALA A 42 -11.099 21.832 -34.186 1.00 65.30 C ATOM 579 O ALA A 42 -11.827 20.970 -34.641 1.00 11.34 O ATOM 580 CB ALA A 42 -11.529 24.252 -34.744 1.00 5.25 C ATOM 0 H ALA A 42 -10.331 24.384 -32.603 1.00 22.15 H new ATOM 0 HA ALA A 42 -12.722 23.040 -33.448 1.00 1.55 H new ATOM 0 HB1 ALA A 42 -12.057 23.939 -35.645 1.00 5.25 H new ATOM 0 HB2 ALA A 42 -11.958 25.185 -34.378 1.00 5.25 H new ATOM 0 HB3 ALA A 42 -10.475 24.404 -34.975 1.00 5.25 H new ATOM 586 N LEU A 43 -9.791 21.659 -34.071 1.00 22.32 N ATOM 587 CA LEU A 43 -9.121 20.431 -34.498 1.00 14.40 C ATOM 588 C LEU A 43 -9.534 19.258 -33.605 1.00 41.13 C ATOM 589 O LEU A 43 -9.615 18.124 -34.065 1.00 23.20 O ATOM 590 CB LEU A 43 -7.599 20.623 -34.447 1.00 52.41 C ATOM 591 CG LEU A 43 -6.733 19.490 -35.003 1.00 2.10 C ATOM 592 CD1 LEU A 43 -6.968 19.251 -36.487 1.00 62.24 C ATOM 593 CD2 LEU A 43 -5.260 19.817 -34.766 1.00 44.23 C ATOM 0 H LEU A 43 -9.162 22.361 -33.681 1.00 22.32 H new ATOM 0 HA LEU A 43 -9.418 20.207 -35.522 1.00 14.40 H new ATOM 0 HB2 LEU A 43 -7.355 21.534 -34.993 1.00 52.41 H new ATOM 0 HB3 LEU A 43 -7.314 20.788 -33.408 1.00 52.41 H new ATOM 0 HG LEU A 43 -7.013 18.576 -34.479 1.00 2.10 H new ATOM 0 HD11 LEU A 43 -6.329 18.437 -36.830 1.00 62.24 H new ATOM 0 HD12 LEU A 43 -8.012 18.986 -36.652 1.00 62.24 H new ATOM 0 HD13 LEU A 43 -6.731 20.158 -37.044 1.00 62.24 H new ATOM 0 HD21 LEU A 43 -4.640 19.012 -35.161 1.00 44.23 H new ATOM 0 HD22 LEU A 43 -5.008 20.750 -35.271 1.00 44.23 H new ATOM 0 HD23 LEU A 43 -5.078 19.923 -33.697 1.00 44.23 H new ATOM 605 N ALA A 44 -9.845 19.546 -32.347 1.00 61.11 N ATOM 606 CA ALA A 44 -10.303 18.520 -31.405 1.00 64.24 C ATOM 607 C ALA A 44 -11.578 17.828 -31.895 1.00 60.21 C ATOM 608 O ALA A 44 -11.808 16.665 -31.616 1.00 52.53 O ATOM 609 CB ALA A 44 -10.526 19.155 -30.019 1.00 2.15 C ATOM 0 H ALA A 44 -9.790 20.484 -31.950 1.00 61.11 H new ATOM 0 HA ALA A 44 -9.531 17.754 -31.332 1.00 64.24 H new ATOM 0 HB1 ALA A 44 -10.866 18.392 -29.320 1.00 2.15 H new ATOM 0 HB2 ALA A 44 -9.590 19.584 -29.661 1.00 2.15 H new ATOM 0 HB3 ALA A 44 -11.279 19.939 -30.095 1.00 2.15 H new ATOM 615 N MET A 45 -12.407 18.546 -32.651 1.00 22.53 N ATOM 616 CA MET A 45 -13.627 17.974 -33.200 1.00 43.11 C ATOM 617 C MET A 45 -13.304 16.867 -34.202 1.00 62.12 C ATOM 618 O MET A 45 -14.063 15.911 -34.331 1.00 64.41 O ATOM 619 CB MET A 45 -14.485 19.041 -33.873 1.00 54.44 C ATOM 620 CG MET A 45 -14.899 20.188 -32.934 1.00 34.22 C ATOM 621 SD MET A 45 -15.932 21.402 -33.783 1.00 73.41 S ATOM 622 CE MET A 45 -16.206 22.607 -32.463 1.00 5.14 C ATOM 0 H MET A 45 -12.253 19.524 -32.895 1.00 22.53 H new ATOM 0 HA MET A 45 -14.190 17.549 -32.369 1.00 43.11 H new ATOM 0 HB2 MET A 45 -13.936 19.456 -34.718 1.00 54.44 H new ATOM 0 HB3 MET A 45 -15.383 18.572 -34.276 1.00 54.44 H new ATOM 0 HG2 MET A 45 -15.441 19.782 -32.080 1.00 34.22 H new ATOM 0 HG3 MET A 45 -14.008 20.678 -32.542 1.00 34.22 H new ATOM 0 HE1 MET A 45 -16.830 23.420 -32.836 1.00 5.14 H new ATOM 0 HE2 MET A 45 -16.706 22.121 -31.625 1.00 5.14 H new ATOM 0 HE3 MET A 45 -15.248 23.008 -32.131 1.00 5.14 H new ATOM 632 N ARG A 46 -12.167 16.959 -34.898 1.00 15.34 N ATOM 633 CA ARG A 46 -11.746 15.889 -35.821 1.00 34.52 C ATOM 634 C ARG A 46 -11.390 14.633 -35.042 1.00 42.23 C ATOM 635 O ARG A 46 -11.683 13.533 -35.474 1.00 11.21 O ATOM 636 CB ARG A 46 -10.529 16.290 -36.632 1.00 12.24 C ATOM 637 CG ARG A 46 -10.749 17.425 -37.603 1.00 73.21 C ATOM 638 CD ARG A 46 -9.649 17.299 -38.610 1.00 21.42 C ATOM 639 NE ARG A 46 -9.291 18.563 -39.252 1.00 42.34 N ATOM 640 CZ ARG A 46 -8.154 18.793 -39.908 1.00 74.21 C ATOM 641 NH1 ARG A 46 -7.218 17.884 -40.043 1.00 24.23 N ATOM 642 NH2 ARG A 46 -7.950 19.977 -40.426 1.00 53.34 N ATOM 0 H ARG A 46 -11.526 17.750 -34.845 1.00 15.34 H new ATOM 0 HA ARG A 46 -12.584 15.706 -36.494 1.00 34.52 H new ATOM 0 HB2 ARG A 46 -9.731 16.570 -35.945 1.00 12.24 H new ATOM 0 HB3 ARG A 46 -10.180 15.420 -37.188 1.00 12.24 H new ATOM 0 HG2 ARG A 46 -11.728 17.353 -38.078 1.00 73.21 H new ATOM 0 HG3 ARG A 46 -10.711 18.389 -37.097 1.00 73.21 H new ATOM 0 HD2 ARG A 46 -8.766 16.888 -38.121 1.00 21.42 H new ATOM 0 HD3 ARG A 46 -9.950 16.585 -39.377 1.00 21.42 H new ATOM 0 HE ARG A 46 -9.963 19.328 -39.193 1.00 42.34 H new ATOM 0 HH11 ARG A 46 -7.345 16.957 -39.637 1.00 24.23 H new ATOM 0 HH12 ARG A 46 -6.363 18.104 -40.554 1.00 24.23 H new ATOM 0 HH21 ARG A 46 -8.656 20.707 -40.324 1.00 53.34 H new ATOM 0 HH22 ARG A 46 -7.085 20.170 -40.931 1.00 53.34 H new ATOM 656 N LEU A 47 -10.747 14.831 -33.900 1.00 53.22 N ATOM 657 CA LEU A 47 -10.310 13.730 -33.042 1.00 1.32 C ATOM 658 C LEU A 47 -11.519 12.995 -32.516 1.00 4.53 C ATOM 659 O LEU A 47 -11.596 11.777 -32.574 1.00 22.30 O ATOM 660 CB LEU A 47 -9.461 14.262 -31.901 1.00 44.14 C ATOM 661 CG LEU A 47 -8.949 13.247 -30.886 1.00 31.22 C ATOM 662 CD1 LEU A 47 -8.042 12.196 -31.485 1.00 24.03 C ATOM 663 CD2 LEU A 47 -8.188 13.987 -29.813 1.00 65.21 C ATOM 0 H LEU A 47 -10.512 15.756 -33.539 1.00 53.22 H new ATOM 0 HA LEU A 47 -9.701 13.036 -33.620 1.00 1.32 H new ATOM 0 HB2 LEU A 47 -8.600 14.775 -32.330 1.00 44.14 H new ATOM 0 HB3 LEU A 47 -10.044 15.011 -31.366 1.00 44.14 H new ATOM 0 HG LEU A 47 -9.819 12.725 -30.488 1.00 31.22 H new ATOM 0 HD11 LEU A 47 -7.716 11.509 -30.704 1.00 24.03 H new ATOM 0 HD12 LEU A 47 -8.583 11.643 -32.253 1.00 24.03 H new ATOM 0 HD13 LEU A 47 -7.171 12.678 -31.930 1.00 24.03 H new ATOM 0 HD21 LEU A 47 -7.813 13.276 -29.077 1.00 65.21 H new ATOM 0 HD22 LEU A 47 -7.350 14.519 -30.263 1.00 65.21 H new ATOM 0 HD23 LEU A 47 -8.851 14.701 -29.324 1.00 65.21 H new ATOM 675 N ILE A 48 -12.511 13.754 -32.031 1.00 4.13 N ATOM 676 CA ILE A 48 -13.732 13.171 -31.520 1.00 74.34 C ATOM 677 C ILE A 48 -14.442 12.410 -32.628 1.00 51.02 C ATOM 678 O ILE A 48 -14.978 11.323 -32.405 1.00 62.13 O ATOM 679 CB ILE A 48 -14.650 14.284 -30.949 1.00 2.21 C ATOM 680 CG1 ILE A 48 -13.997 14.905 -29.691 1.00 32.03 C ATOM 681 CG2 ILE A 48 -16.053 13.717 -30.600 1.00 54.33 C ATOM 682 CD1 ILE A 48 -14.552 16.285 -29.302 1.00 31.11 C ATOM 0 H ILE A 48 -12.480 14.773 -31.987 1.00 4.13 H new ATOM 0 HA ILE A 48 -13.491 12.474 -30.717 1.00 74.34 H new ATOM 0 HB ILE A 48 -14.775 15.056 -31.708 1.00 2.21 H new ATOM 0 HG12 ILE A 48 -14.133 14.223 -28.852 1.00 32.03 H new ATOM 0 HG13 ILE A 48 -12.924 14.993 -29.860 1.00 32.03 H new ATOM 0 HG21 ILE A 48 -16.679 14.515 -30.201 1.00 54.33 H new ATOM 0 HG22 ILE A 48 -16.514 13.308 -31.499 1.00 54.33 H new ATOM 0 HG23 ILE A 48 -15.952 12.929 -29.854 1.00 54.33 H new ATOM 0 HD11 ILE A 48 -14.039 16.646 -28.411 1.00 31.11 H new ATOM 0 HD12 ILE A 48 -14.392 16.986 -30.121 1.00 31.11 H new ATOM 0 HD13 ILE A 48 -15.620 16.203 -29.098 1.00 31.11 H new ATOM 694 N ALA A 49 -14.439 12.959 -33.838 1.00 52.34 N ATOM 695 CA ALA A 49 -15.073 12.279 -34.967 1.00 11.30 C ATOM 696 C ALA A 49 -14.353 10.976 -35.326 1.00 53.20 C ATOM 697 O ALA A 49 -14.990 9.953 -35.537 1.00 5.10 O ATOM 698 CB ALA A 49 -15.128 13.210 -36.176 1.00 10.13 C ATOM 0 H ALA A 49 -14.013 13.858 -34.063 1.00 52.34 H new ATOM 0 HA ALA A 49 -16.088 12.017 -34.669 1.00 11.30 H new ATOM 0 HB1 ALA A 49 -15.602 12.694 -37.011 1.00 10.13 H new ATOM 0 HB2 ALA A 49 -15.705 14.100 -35.924 1.00 10.13 H new ATOM 0 HB3 ALA A 49 -14.116 13.502 -36.457 1.00 10.13 H new ATOM 704 N ARG A 50 -13.048 10.995 -35.377 1.00 11.33 N ATOM 705 CA ARG A 50 -12.288 9.787 -35.757 1.00 61.21 C ATOM 706 C ARG A 50 -12.429 8.688 -34.722 1.00 24.04 C ATOM 707 O ARG A 50 -12.446 7.526 -35.065 1.00 4.00 O ATOM 708 CB ARG A 50 -10.785 10.140 -35.900 1.00 43.11 C ATOM 709 CG ARG A 50 -10.378 10.549 -37.271 1.00 51.02 C ATOM 710 CD ARG A 50 -10.454 9.399 -38.275 1.00 72.32 C ATOM 711 NE ARG A 50 -9.152 9.093 -38.913 1.00 30.40 N ATOM 712 CZ ARG A 50 -8.904 8.020 -39.672 1.00 43.34 C ATOM 713 NH1 ARG A 50 -9.816 7.115 -39.940 1.00 74.21 N ATOM 714 NH2 ARG A 50 -7.706 7.854 -40.167 1.00 1.21 N ATOM 0 H ARG A 50 -12.475 11.812 -35.167 1.00 11.33 H new ATOM 0 HA ARG A 50 -12.692 9.429 -36.704 1.00 61.21 H new ATOM 0 HB2 ARG A 50 -10.546 10.947 -35.207 1.00 43.11 H new ATOM 0 HB3 ARG A 50 -10.191 9.276 -35.600 1.00 43.11 H new ATOM 0 HG2 ARG A 50 -11.019 11.364 -37.608 1.00 51.02 H new ATOM 0 HG3 ARG A 50 -9.359 10.935 -37.243 1.00 51.02 H new ATOM 0 HD2 ARG A 50 -10.821 8.507 -37.768 1.00 72.32 H new ATOM 0 HD3 ARG A 50 -11.180 9.648 -39.048 1.00 72.32 H new ATOM 0 HE ARG A 50 -8.387 9.750 -38.762 1.00 30.40 H new ATOM 0 HH11 ARG A 50 -10.759 7.214 -39.564 1.00 74.21 H new ATOM 0 HH12 ARG A 50 -9.582 6.312 -40.524 1.00 74.21 H new ATOM 0 HH21 ARG A 50 -6.975 8.538 -39.973 1.00 1.21 H new ATOM 0 HH22 ARG A 50 -7.502 7.040 -40.748 1.00 1.21 H new ATOM 728 N ILE A 51 -12.552 9.079 -33.464 1.00 24.42 N ATOM 729 CA ILE A 51 -12.672 8.124 -32.392 1.00 41.33 C ATOM 730 C ILE A 51 -13.940 7.243 -32.599 1.00 62.21 C ATOM 731 O ILE A 51 -13.947 6.084 -32.279 1.00 3.02 O ATOM 732 CB ILE A 51 -12.753 8.847 -31.005 1.00 21.51 C ATOM 733 CG1 ILE A 51 -11.324 9.225 -30.541 1.00 32.41 C ATOM 734 CG2 ILE A 51 -13.435 7.969 -29.942 1.00 10.03 C ATOM 735 CD1 ILE A 51 -11.295 10.215 -29.383 1.00 31.43 C ATOM 0 H ILE A 51 -12.571 10.055 -33.167 1.00 24.42 H new ATOM 0 HA ILE A 51 -11.785 7.490 -32.402 1.00 41.33 H new ATOM 0 HB ILE A 51 -13.358 9.746 -31.125 1.00 21.51 H new ATOM 0 HG12 ILE A 51 -10.797 8.318 -30.245 1.00 32.41 H new ATOM 0 HG13 ILE A 51 -10.779 9.650 -31.384 1.00 32.41 H new ATOM 0 HG21 ILE A 51 -13.471 8.507 -28.995 1.00 10.03 H new ATOM 0 HG22 ILE A 51 -14.449 7.731 -30.263 1.00 10.03 H new ATOM 0 HG23 ILE A 51 -12.869 7.047 -29.814 1.00 10.03 H new ATOM 0 HD11 ILE A 51 -10.261 10.431 -29.115 1.00 31.43 H new ATOM 0 HD12 ILE A 51 -11.793 11.138 -29.681 1.00 31.43 H new ATOM 0 HD13 ILE A 51 -11.811 9.785 -28.524 1.00 31.43 H new ATOM 747 N ARG A 52 -14.988 7.823 -33.164 1.00 5.24 N ATOM 748 CA ARG A 52 -16.237 7.079 -33.414 1.00 0.35 C ATOM 749 C ARG A 52 -16.034 5.955 -34.385 1.00 25.23 C ATOM 750 O ARG A 52 -16.676 4.901 -34.255 1.00 42.10 O ATOM 751 CB ARG A 52 -17.296 7.942 -33.913 1.00 22.23 C ATOM 752 CG ARG A 52 -17.612 9.089 -33.037 1.00 1.14 C ATOM 753 CD ARG A 52 -18.722 9.932 -33.678 1.00 73.31 C ATOM 754 NE ARG A 52 -19.987 9.244 -33.551 1.00 71.03 N ATOM 755 CZ ARG A 52 -21.161 9.861 -33.435 1.00 31.22 C ATOM 756 NH1 ARG A 52 -21.295 11.171 -33.389 1.00 34.44 N ATOM 757 NH2 ARG A 52 -22.252 9.141 -33.347 1.00 2.22 N ATOM 0 H ARG A 52 -15.010 8.799 -33.460 1.00 5.24 H new ATOM 0 HA ARG A 52 -16.535 6.670 -32.449 1.00 0.35 H new ATOM 0 HB2 ARG A 52 -17.009 8.319 -34.895 1.00 22.23 H new ATOM 0 HB3 ARG A 52 -18.198 7.347 -34.051 1.00 22.23 H new ATOM 0 HG2 ARG A 52 -17.930 8.735 -32.057 1.00 1.14 H new ATOM 0 HG3 ARG A 52 -16.721 9.698 -32.882 1.00 1.14 H new ATOM 0 HD2 ARG A 52 -18.777 10.908 -33.195 1.00 73.31 H new ATOM 0 HD3 ARG A 52 -18.497 10.109 -34.730 1.00 73.31 H new ATOM 0 HE ARG A 52 -19.980 8.224 -33.550 1.00 71.03 H new ATOM 0 HH11 ARG A 52 -20.471 11.770 -33.443 1.00 34.44 H new ATOM 0 HH12 ARG A 52 -22.222 11.586 -33.299 1.00 34.44 H new ATOM 0 HH21 ARG A 52 -22.194 8.123 -33.368 1.00 2.22 H new ATOM 0 HH22 ARG A 52 -23.159 9.599 -33.258 1.00 2.22 H new ATOM 771 N GLU A 53 -15.121 6.145 -35.326 1.00 21.41 N ATOM 772 CA GLU A 53 -14.868 5.157 -36.353 1.00 43.54 C ATOM 773 C GLU A 53 -13.936 4.080 -35.764 1.00 55.42 C ATOM 774 O GLU A 53 -14.065 2.911 -36.068 1.00 32.42 O ATOM 775 CB GLU A 53 -14.178 5.794 -37.515 1.00 65.03 C ATOM 776 CG GLU A 53 -14.843 7.116 -37.985 1.00 54.12 C ATOM 777 CD GLU A 53 -16.304 6.975 -38.340 1.00 33.53 C ATOM 778 OE1 GLU A 53 -16.638 6.238 -39.292 1.00 44.53 O ATOM 779 OE2 GLU A 53 -17.117 7.688 -37.716 1.00 2.40 O ATOM 0 H GLU A 53 -14.542 6.982 -35.396 1.00 21.41 H new ATOM 0 HA GLU A 53 -15.811 4.723 -36.685 1.00 43.54 H new ATOM 0 HB2 GLU A 53 -13.141 5.995 -37.246 1.00 65.03 H new ATOM 0 HB3 GLU A 53 -14.161 5.090 -38.347 1.00 65.03 H new ATOM 0 HG2 GLU A 53 -14.741 7.862 -37.197 1.00 54.12 H new ATOM 0 HG3 GLU A 53 -14.303 7.494 -38.853 1.00 54.12 H new ATOM 786 N GLU A 54 -12.972 4.510 -34.939 1.00 43.11 N ATOM 787 CA GLU A 54 -11.909 3.628 -34.482 1.00 75.32 C ATOM 788 C GLU A 54 -12.298 2.809 -33.235 1.00 32.43 C ATOM 789 O GLU A 54 -11.879 1.660 -33.100 1.00 22.14 O ATOM 790 CB GLU A 54 -10.701 4.460 -34.096 1.00 22.15 C ATOM 791 CG GLU A 54 -10.056 5.187 -35.277 1.00 63.34 C ATOM 792 CD GLU A 54 -9.165 4.285 -36.113 1.00 54.43 C ATOM 793 OE1 GLU A 54 -8.462 3.420 -35.542 1.00 53.30 O ATOM 794 OE2 GLU A 54 -9.119 4.497 -37.344 1.00 51.41 O ATOM 0 H GLU A 54 -12.913 5.463 -34.579 1.00 43.11 H new ATOM 0 HA GLU A 54 -11.704 2.943 -35.305 1.00 75.32 H new ATOM 0 HB2 GLU A 54 -11.000 5.194 -33.348 1.00 22.15 H new ATOM 0 HB3 GLU A 54 -9.959 3.813 -33.629 1.00 22.15 H new ATOM 0 HG2 GLU A 54 -10.838 5.604 -35.911 1.00 63.34 H new ATOM 0 HG3 GLU A 54 -9.467 6.025 -34.903 1.00 63.34 H new ATOM 801 N LEU A 55 -13.043 3.422 -32.303 1.00 22.10 N ATOM 802 CA LEU A 55 -13.378 2.778 -31.027 1.00 62.32 C ATOM 803 C LEU A 55 -14.885 2.481 -30.967 1.00 73.24 C ATOM 804 O LEU A 55 -15.377 1.884 -30.017 1.00 71.11 O ATOM 805 CB LEU A 55 -12.984 3.685 -29.873 1.00 73.04 C ATOM 806 CG LEU A 55 -11.487 4.063 -29.744 1.00 71.12 C ATOM 807 CD1 LEU A 55 -11.240 4.963 -28.522 1.00 32.53 C ATOM 808 CD2 LEU A 55 -10.588 2.835 -29.618 1.00 5.43 C ATOM 0 H LEU A 55 -13.424 4.362 -32.410 1.00 22.10 H new ATOM 0 HA LEU A 55 -12.829 1.840 -30.948 1.00 62.32 H new ATOM 0 HB2 LEU A 55 -13.558 4.607 -29.958 1.00 73.04 H new ATOM 0 HB3 LEU A 55 -13.291 3.203 -28.945 1.00 73.04 H new ATOM 0 HG LEU A 55 -11.237 4.597 -30.661 1.00 71.12 H new ATOM 0 HD11 LEU A 55 -10.180 5.210 -28.460 1.00 32.53 H new ATOM 0 HD12 LEU A 55 -11.821 5.880 -28.622 1.00 32.53 H new ATOM 0 HD13 LEU A 55 -11.544 4.438 -27.616 1.00 32.53 H new ATOM 0 HD21 LEU A 55 -9.549 3.152 -29.530 1.00 5.43 H new ATOM 0 HD22 LEU A 55 -10.870 2.267 -28.731 1.00 5.43 H new ATOM 0 HD23 LEU A 55 -10.703 2.208 -30.502 1.00 5.43 H new ATOM 820 N GLY A 56 -15.609 2.956 -31.979 1.00 41.05 N ATOM 821 CA GLY A 56 -17.054 2.740 -32.015 1.00 73.30 C ATOM 822 C GLY A 56 -17.816 3.511 -30.957 1.00 20.21 C ATOM 823 O GLY A 56 -18.901 3.104 -30.568 1.00 3.32 O ATOM 0 H GLY A 56 -15.230 3.481 -32.767 1.00 41.05 H new ATOM 0 HA2 GLY A 56 -17.430 3.023 -32.998 1.00 73.30 H new ATOM 0 HA3 GLY A 56 -17.256 1.676 -31.891 1.00 73.30 H new ATOM 827 N VAL A 57 -17.260 4.606 -30.461 1.00 44.53 N ATOM 828 CA VAL A 57 -17.883 5.348 -29.352 1.00 44.23 C ATOM 829 C VAL A 57 -17.805 6.857 -29.579 1.00 34.34 C ATOM 830 O VAL A 57 -16.833 7.371 -30.125 1.00 75.13 O ATOM 831 CB VAL A 57 -17.214 4.942 -27.986 1.00 11.11 C ATOM 832 CG1 VAL A 57 -15.745 5.366 -27.907 1.00 13.42 C ATOM 833 CG2 VAL A 57 -17.975 5.516 -26.790 1.00 71.54 C ATOM 0 H VAL A 57 -16.385 5.006 -30.799 1.00 44.53 H new ATOM 0 HA VAL A 57 -18.939 5.083 -29.312 1.00 44.23 H new ATOM 0 HB VAL A 57 -17.258 3.854 -27.945 1.00 11.11 H new ATOM 0 HG11 VAL A 57 -15.330 5.063 -26.946 1.00 13.42 H new ATOM 0 HG12 VAL A 57 -15.185 4.889 -28.711 1.00 13.42 H new ATOM 0 HG13 VAL A 57 -15.673 6.449 -28.008 1.00 13.42 H new ATOM 0 HG21 VAL A 57 -17.482 5.214 -25.866 1.00 71.54 H new ATOM 0 HG22 VAL A 57 -17.988 6.604 -26.855 1.00 71.54 H new ATOM 0 HG23 VAL A 57 -18.998 5.140 -26.795 1.00 71.54 H new ATOM 843 N ASP A 58 -18.842 7.570 -29.158 1.00 24.54 N ATOM 844 CA ASP A 58 -18.849 9.022 -29.201 1.00 0.11 C ATOM 845 C ASP A 58 -17.998 9.552 -28.040 1.00 21.01 C ATOM 846 O ASP A 58 -18.292 9.295 -26.862 1.00 13.53 O ATOM 847 CB ASP A 58 -20.282 9.571 -29.113 1.00 72.55 C ATOM 848 CG ASP A 58 -20.980 9.203 -27.808 1.00 50.03 C ATOM 849 OD1 ASP A 58 -21.179 7.996 -27.547 1.00 73.30 O ATOM 850 OD2 ASP A 58 -21.296 10.118 -27.014 1.00 31.33 O ATOM 0 H ASP A 58 -19.696 7.159 -28.780 1.00 24.54 H new ATOM 0 HA ASP A 58 -18.430 9.356 -30.150 1.00 0.11 H new ATOM 0 HB2 ASP A 58 -20.257 10.656 -29.212 1.00 72.55 H new ATOM 0 HB3 ASP A 58 -20.864 9.188 -29.951 1.00 72.55 H new ATOM 855 N LEU A 59 -16.904 10.241 -28.348 1.00 32.11 N ATOM 856 CA LEU A 59 -16.048 10.762 -27.288 1.00 65.13 C ATOM 857 C LEU A 59 -16.722 11.989 -26.671 1.00 34.42 C ATOM 858 O LEU A 59 -16.951 12.989 -27.350 1.00 44.13 O ATOM 859 CB LEU A 59 -14.659 11.131 -27.830 1.00 11.13 C ATOM 860 CG LEU A 59 -13.493 11.225 -26.826 1.00 42.33 C ATOM 861 CD1 LEU A 59 -13.575 12.388 -25.883 1.00 62.05 C ATOM 862 CD2 LEU A 59 -13.356 9.930 -26.024 1.00 65.41 C ATOM 0 H LEU A 59 -16.594 10.448 -29.298 1.00 32.11 H new ATOM 0 HA LEU A 59 -15.910 9.993 -26.528 1.00 65.13 H new ATOM 0 HB2 LEU A 59 -14.389 10.395 -28.587 1.00 11.13 H new ATOM 0 HB3 LEU A 59 -14.743 12.093 -28.336 1.00 11.13 H new ATOM 0 HG LEU A 59 -12.608 11.387 -27.442 1.00 42.33 H new ATOM 0 HD11 LEU A 59 -12.715 12.375 -25.214 1.00 62.05 H new ATOM 0 HD12 LEU A 59 -13.578 13.318 -26.452 1.00 62.05 H new ATOM 0 HD13 LEU A 59 -14.492 12.318 -25.297 1.00 62.05 H new ATOM 0 HD21 LEU A 59 -12.526 10.022 -25.323 1.00 65.41 H new ATOM 0 HD22 LEU A 59 -14.278 9.744 -25.473 1.00 65.41 H new ATOM 0 HD23 LEU A 59 -13.166 9.099 -26.704 1.00 65.41 H new ATOM 874 N PRO A 60 -17.046 11.933 -25.371 1.00 51.11 N ATOM 875 CA PRO A 60 -17.650 13.129 -24.748 1.00 34.33 C ATOM 876 C PRO A 60 -16.660 14.293 -24.740 1.00 71.24 C ATOM 877 O PRO A 60 -15.534 14.133 -24.287 1.00 64.32 O ATOM 878 CB PRO A 60 -17.907 12.678 -23.301 1.00 2.41 C ATOM 879 CG PRO A 60 -17.864 11.185 -23.342 1.00 12.23 C ATOM 880 CD PRO A 60 -16.856 10.843 -24.395 1.00 53.32 C ATOM 0 HA PRO A 60 -18.541 13.471 -25.274 1.00 34.33 H new ATOM 0 HB2 PRO A 60 -17.150 13.075 -22.625 1.00 2.41 H new ATOM 0 HB3 PRO A 60 -18.873 13.034 -22.943 1.00 2.41 H new ATOM 0 HG2 PRO A 60 -17.576 10.774 -22.375 1.00 12.23 H new ATOM 0 HG3 PRO A 60 -18.842 10.771 -23.586 1.00 12.23 H new ATOM 0 HD2 PRO A 60 -15.841 10.825 -23.997 1.00 53.32 H new ATOM 0 HD3 PRO A 60 -17.043 9.864 -24.836 1.00 53.32 H new ATOM 888 N ILE A 61 -17.042 15.471 -25.198 1.00 53.15 N ATOM 889 CA ILE A 61 -16.085 16.589 -25.236 1.00 73.21 C ATOM 890 C ILE A 61 -15.596 16.969 -23.810 1.00 60.21 C ATOM 891 O ILE A 61 -14.479 17.455 -23.641 1.00 5.54 O ATOM 892 CB ILE A 61 -16.658 17.794 -26.024 1.00 51.45 C ATOM 893 CG1 ILE A 61 -15.500 18.681 -26.518 1.00 35.12 C ATOM 894 CG2 ILE A 61 -17.677 18.587 -25.180 1.00 74.43 C ATOM 895 CD1 ILE A 61 -15.863 19.602 -27.688 1.00 44.52 C ATOM 0 H ILE A 61 -17.978 15.687 -25.542 1.00 53.15 H new ATOM 0 HA ILE A 61 -15.200 16.260 -25.781 1.00 73.21 H new ATOM 0 HB ILE A 61 -17.203 17.425 -26.893 1.00 51.45 H new ATOM 0 HG12 ILE A 61 -15.146 19.291 -25.687 1.00 35.12 H new ATOM 0 HG13 ILE A 61 -14.671 18.041 -26.819 1.00 35.12 H new ATOM 0 HG21 ILE A 61 -18.059 19.425 -25.763 1.00 74.43 H new ATOM 0 HG22 ILE A 61 -18.503 17.934 -24.899 1.00 74.43 H new ATOM 0 HG23 ILE A 61 -17.190 18.963 -24.280 1.00 74.43 H new ATOM 0 HD11 ILE A 61 -14.991 20.191 -27.972 1.00 44.52 H new ATOM 0 HD12 ILE A 61 -16.187 19.001 -28.537 1.00 44.52 H new ATOM 0 HD13 ILE A 61 -16.670 20.271 -27.388 1.00 44.52 H new ATOM 907 N ARG A 62 -16.380 16.639 -22.789 1.00 2.00 N ATOM 908 CA ARG A 62 -15.953 16.829 -21.397 1.00 44.22 C ATOM 909 C ARG A 62 -14.779 15.911 -21.031 1.00 13.34 C ATOM 910 O ARG A 62 -13.860 16.340 -20.353 1.00 72.34 O ATOM 911 CB ARG A 62 -17.137 16.574 -20.442 1.00 51.12 C ATOM 912 CG ARG A 62 -16.864 16.896 -18.953 1.00 12.44 C ATOM 913 CD ARG A 62 -16.902 18.400 -18.642 1.00 34.22 C ATOM 914 NE ARG A 62 -18.283 18.933 -18.572 1.00 41.41 N ATOM 915 CZ ARG A 62 -18.611 20.180 -18.243 1.00 65.23 C ATOM 916 NH1 ARG A 62 -17.709 21.086 -17.947 1.00 31.12 N ATOM 917 NH2 ARG A 62 -19.868 20.514 -18.195 1.00 42.13 N ATOM 0 H ARG A 62 -17.313 16.239 -22.893 1.00 2.00 H new ATOM 0 HA ARG A 62 -15.614 17.860 -21.293 1.00 44.22 H new ATOM 0 HB2 ARG A 62 -17.987 17.169 -20.776 1.00 51.12 H new ATOM 0 HB3 ARG A 62 -17.429 15.527 -20.523 1.00 51.12 H new ATOM 0 HG2 ARG A 62 -17.603 16.385 -18.336 1.00 12.44 H new ATOM 0 HG3 ARG A 62 -15.888 16.499 -18.675 1.00 12.44 H new ATOM 0 HD2 ARG A 62 -16.397 18.584 -17.694 1.00 34.22 H new ATOM 0 HD3 ARG A 62 -16.347 18.940 -19.409 1.00 34.22 H new ATOM 0 HE ARG A 62 -19.044 18.292 -18.794 1.00 41.41 H new ATOM 0 HH11 ARG A 62 -16.718 20.844 -17.965 1.00 31.12 H new ATOM 0 HH12 ARG A 62 -17.999 22.032 -17.699 1.00 31.12 H new ATOM 0 HH21 ARG A 62 -20.588 19.823 -18.408 1.00 42.13 H new ATOM 0 HH22 ARG A 62 -20.133 21.466 -17.944 1.00 42.13 H new ATOM 931 N GLN A 63 -14.815 14.677 -21.518 1.00 24.42 N ATOM 932 CA GLN A 63 -13.736 13.702 -21.308 1.00 45.12 C ATOM 933 C GLN A 63 -12.449 14.239 -21.899 1.00 64.43 C ATOM 934 O GLN A 63 -11.380 14.111 -21.313 1.00 75.30 O ATOM 935 CB GLN A 63 -14.104 12.354 -21.938 1.00 23.32 C ATOM 936 CG GLN A 63 -14.495 11.265 -20.916 1.00 32.33 C ATOM 937 CD GLN A 63 -15.388 11.783 -19.793 1.00 61.50 C ATOM 938 OE1 GLN A 63 -14.925 12.219 -18.760 1.00 41.24 O ATOM 939 NE2 GLN A 63 -16.674 11.748 -20.013 1.00 10.35 N ATOM 0 H GLN A 63 -15.592 14.317 -22.072 1.00 24.42 H new ATOM 0 HA GLN A 63 -13.595 13.545 -20.239 1.00 45.12 H new ATOM 0 HB2 GLN A 63 -14.934 12.503 -22.629 1.00 23.32 H new ATOM 0 HB3 GLN A 63 -13.259 11.998 -22.527 1.00 23.32 H new ATOM 0 HG2 GLN A 63 -15.009 10.457 -21.436 1.00 32.33 H new ATOM 0 HG3 GLN A 63 -13.589 10.840 -20.484 1.00 32.33 H new ATOM 0 HE21 GLN A 63 -17.031 11.375 -20.893 1.00 10.35 H new ATOM 0 HE22 GLN A 63 -17.322 12.094 -19.305 1.00 10.35 H new ATOM 948 N LEU A 64 -12.553 14.883 -23.050 1.00 12.31 N ATOM 949 CA LEU A 64 -11.382 15.460 -23.682 1.00 44.34 C ATOM 950 C LEU A 64 -10.844 16.677 -22.925 1.00 45.43 C ATOM 951 O LEU A 64 -9.660 16.775 -22.670 1.00 3.43 O ATOM 952 CB LEU A 64 -11.704 15.857 -25.122 1.00 42.20 C ATOM 953 CG LEU A 64 -10.451 15.875 -26.012 1.00 14.14 C ATOM 954 CD1 LEU A 64 -10.300 14.539 -26.739 1.00 12.52 C ATOM 955 CD2 LEU A 64 -10.541 17.028 -26.996 1.00 42.23 C ATOM 0 H LEU A 64 -13.426 15.018 -23.560 1.00 12.31 H new ATOM 0 HA LEU A 64 -10.606 14.695 -23.668 1.00 44.34 H new ATOM 0 HB2 LEU A 64 -12.432 15.159 -25.536 1.00 42.20 H new ATOM 0 HB3 LEU A 64 -12.168 16.843 -25.130 1.00 42.20 H new ATOM 0 HG LEU A 64 -9.567 16.019 -25.391 1.00 14.14 H new ATOM 0 HD11 LEU A 64 -9.409 14.565 -27.366 1.00 12.52 H new ATOM 0 HD12 LEU A 64 -10.206 13.736 -26.008 1.00 12.52 H new ATOM 0 HD13 LEU A 64 -11.177 14.363 -27.362 1.00 12.52 H new ATOM 0 HD21 LEU A 64 -9.652 17.039 -27.626 1.00 42.23 H new ATOM 0 HD22 LEU A 64 -11.426 16.906 -27.620 1.00 42.23 H new ATOM 0 HD23 LEU A 64 -10.610 17.968 -26.449 1.00 42.23 H new ATOM 967 N PHE A 65 -11.713 17.619 -22.594 1.00 61.03 N ATOM 968 CA PHE A 65 -11.274 18.867 -21.979 1.00 53.20 C ATOM 969 C PHE A 65 -10.816 18.684 -20.540 1.00 5.33 C ATOM 970 O PHE A 65 -9.962 19.430 -20.062 1.00 63.54 O ATOM 971 CB PHE A 65 -12.405 19.912 -22.024 1.00 61.24 C ATOM 972 CG PHE A 65 -12.721 20.446 -23.416 1.00 50.30 C ATOM 973 CD1 PHE A 65 -11.832 20.278 -24.513 1.00 33.32 C ATOM 974 CD2 PHE A 65 -13.922 21.148 -23.624 1.00 14.25 C ATOM 975 CE1 PHE A 65 -12.141 20.813 -25.780 1.00 41.52 C ATOM 976 CE2 PHE A 65 -14.238 21.689 -24.892 1.00 13.22 C ATOM 977 CZ PHE A 65 -13.349 21.519 -25.970 1.00 31.50 C ATOM 0 H PHE A 65 -12.720 17.547 -22.739 1.00 61.03 H new ATOM 0 HA PHE A 65 -10.417 19.214 -22.557 1.00 53.20 H new ATOM 0 HB2 PHE A 65 -13.309 19.468 -21.606 1.00 61.24 H new ATOM 0 HB3 PHE A 65 -12.134 20.749 -21.381 1.00 61.24 H new ATOM 0 HD1 PHE A 65 -10.909 19.734 -24.374 1.00 33.32 H new ATOM 0 HD2 PHE A 65 -14.613 21.276 -22.804 1.00 14.25 H new ATOM 0 HE1 PHE A 65 -11.455 20.683 -26.604 1.00 41.52 H new ATOM 0 HE2 PHE A 65 -15.161 22.232 -25.033 1.00 13.22 H new ATOM 0 HZ PHE A 65 -13.590 21.928 -26.940 1.00 31.50 H new ATOM 987 N SER A 66 -11.380 17.714 -19.824 1.00 42.31 N ATOM 988 CA SER A 66 -11.009 17.501 -18.422 1.00 42.32 C ATOM 989 C SER A 66 -9.665 16.816 -18.302 1.00 72.24 C ATOM 990 O SER A 66 -9.010 16.903 -17.254 1.00 53.35 O ATOM 991 CB SER A 66 -12.048 16.638 -17.708 1.00 11.21 C ATOM 992 OG SER A 66 -11.882 16.733 -16.317 1.00 11.24 O ATOM 0 H SER A 66 -12.086 17.070 -20.182 1.00 42.31 H new ATOM 0 HA SER A 66 -10.958 18.486 -17.959 1.00 42.32 H new ATOM 0 HB2 SER A 66 -13.052 16.960 -17.985 1.00 11.21 H new ATOM 0 HB3 SER A 66 -11.948 15.600 -18.024 1.00 11.21 H new ATOM 0 HG SER A 66 -12.554 16.178 -15.869 1.00 11.24 H new ATOM 998 N SER A 67 -9.255 16.109 -19.363 1.00 62.31 N ATOM 999 CA SER A 67 -8.000 15.385 -19.354 1.00 24.12 C ATOM 1000 C SER A 67 -7.496 15.269 -20.805 1.00 13.32 C ATOM 1001 O SER A 67 -7.678 14.241 -21.440 1.00 22.13 O ATOM 1002 CB SER A 67 -8.214 13.995 -18.758 1.00 13.42 C ATOM 1003 OG SER A 67 -9.404 13.398 -19.235 1.00 0.51 O ATOM 0 H SER A 67 -9.782 16.030 -20.233 1.00 62.31 H new ATOM 0 HA SER A 67 -7.263 15.912 -18.748 1.00 24.12 H new ATOM 0 HB2 SER A 67 -7.364 13.359 -19.004 1.00 13.42 H new ATOM 0 HB3 SER A 67 -8.254 14.067 -17.671 1.00 13.42 H new ATOM 0 HG SER A 67 -9.466 13.522 -20.205 1.00 0.51 H new ATOM 1009 N PRO A 68 -6.888 16.336 -21.351 1.00 14.01 N ATOM 1010 CA PRO A 68 -6.552 16.397 -22.786 1.00 2.34 C ATOM 1011 C PRO A 68 -5.305 15.636 -23.251 1.00 10.43 C ATOM 1012 O PRO A 68 -4.749 15.963 -24.295 1.00 43.34 O ATOM 1013 CB PRO A 68 -6.369 17.907 -23.002 1.00 73.31 C ATOM 1014 CG PRO A 68 -5.790 18.372 -21.735 1.00 4.41 C ATOM 1015 CD PRO A 68 -6.562 17.615 -20.689 1.00 73.41 C ATOM 0 HA PRO A 68 -7.330 15.906 -23.370 1.00 2.34 H new ATOM 0 HB2 PRO A 68 -5.708 18.114 -23.844 1.00 73.31 H new ATOM 0 HB3 PRO A 68 -7.318 18.399 -23.213 1.00 73.31 H new ATOM 0 HG2 PRO A 68 -4.723 18.156 -21.679 1.00 4.41 H new ATOM 0 HG3 PRO A 68 -5.904 19.449 -21.615 1.00 4.41 H new ATOM 0 HD2 PRO A 68 -5.969 17.460 -19.788 1.00 73.41 H new ATOM 0 HD3 PRO A 68 -7.462 18.152 -20.389 1.00 73.41 H new ATOM 1023 N THR A 69 -4.885 14.618 -22.518 1.00 22.24 N ATOM 1024 CA THR A 69 -3.716 13.818 -22.889 1.00 74.25 C ATOM 1025 C THR A 69 -4.234 12.488 -23.384 1.00 31.14 C ATOM 1026 O THR A 69 -5.317 12.092 -22.984 1.00 42.22 O ATOM 1027 CB THR A 69 -2.788 13.572 -21.675 1.00 32.33 C ATOM 1028 OG1 THR A 69 -3.523 12.953 -20.614 1.00 10.03 O ATOM 1029 CG2 THR A 69 -2.202 14.847 -21.144 1.00 51.24 C ATOM 0 H THR A 69 -5.337 14.320 -21.654 1.00 22.24 H new ATOM 0 HA THR A 69 -3.137 14.345 -23.648 1.00 74.25 H new ATOM 0 HB THR A 69 -1.980 12.928 -22.022 1.00 32.33 H new ATOM 0 HG1 THR A 69 -3.027 12.175 -20.283 1.00 10.03 H new ATOM 0 HG21 THR A 69 -1.558 14.625 -20.293 1.00 51.24 H new ATOM 0 HG22 THR A 69 -1.617 15.331 -21.925 1.00 51.24 H new ATOM 0 HG23 THR A 69 -3.005 15.512 -20.827 1.00 51.24 H new ATOM 1037 N PRO A 70 -3.494 11.773 -24.253 1.00 13.03 N ATOM 1038 CA PRO A 70 -4.184 10.589 -24.763 1.00 65.40 C ATOM 1039 C PRO A 70 -4.424 9.502 -23.707 1.00 52.25 C ATOM 1040 O PRO A 70 -5.459 8.833 -23.746 1.00 52.22 O ATOM 1041 CB PRO A 70 -3.269 10.134 -25.899 1.00 24.30 C ATOM 1042 CG PRO A 70 -1.970 10.548 -25.508 1.00 53.34 C ATOM 1043 CD PRO A 70 -2.177 11.918 -24.882 1.00 64.11 C ATOM 0 HA PRO A 70 -5.201 10.807 -25.089 1.00 65.40 H new ATOM 0 HB2 PRO A 70 -3.315 9.054 -26.035 1.00 24.30 H new ATOM 0 HB3 PRO A 70 -3.560 10.587 -26.847 1.00 24.30 H new ATOM 0 HG2 PRO A 70 -1.529 9.850 -24.797 1.00 53.34 H new ATOM 0 HG3 PRO A 70 -1.296 10.601 -26.363 1.00 53.34 H new ATOM 0 HD2 PRO A 70 -1.401 12.155 -24.154 1.00 64.11 H new ATOM 0 HD3 PRO A 70 -2.167 12.713 -25.628 1.00 64.11 H new ATOM 1051 N ALA A 71 -3.540 9.377 -22.725 1.00 74.02 N ATOM 1052 CA ALA A 71 -3.771 8.416 -21.646 1.00 14.42 C ATOM 1053 C ALA A 71 -4.855 8.958 -20.705 1.00 63.02 C ATOM 1054 O ALA A 71 -5.583 8.197 -20.076 1.00 40.23 O ATOM 1055 CB ALA A 71 -2.474 8.138 -20.888 1.00 12.40 C ATOM 0 H ALA A 71 -2.676 9.913 -22.650 1.00 74.02 H new ATOM 0 HA ALA A 71 -4.113 7.472 -22.070 1.00 14.42 H new ATOM 0 HB1 ALA A 71 -2.666 7.421 -20.090 1.00 12.40 H new ATOM 0 HB2 ALA A 71 -1.733 7.728 -21.574 1.00 12.40 H new ATOM 0 HB3 ALA A 71 -2.097 9.067 -20.459 1.00 12.40 H new ATOM 1061 N GLY A 72 -4.949 10.282 -20.618 1.00 44.44 N ATOM 1062 CA GLY A 72 -5.944 10.928 -19.773 1.00 11.22 C ATOM 1063 C GLY A 72 -7.328 10.674 -20.329 1.00 51.02 C ATOM 1064 O GLY A 72 -8.203 10.191 -19.619 1.00 54.31 O ATOM 0 H GLY A 72 -4.345 10.929 -21.125 1.00 44.44 H new ATOM 0 HA2 GLY A 72 -5.875 10.545 -18.755 1.00 11.22 H new ATOM 0 HA3 GLY A 72 -5.753 12.000 -19.724 1.00 11.22 H new ATOM 1068 N VAL A 73 -7.504 10.940 -21.613 1.00 71.01 N ATOM 1069 CA VAL A 73 -8.759 10.726 -22.282 1.00 35.05 C ATOM 1070 C VAL A 73 -9.126 9.242 -22.168 1.00 35.44 C ATOM 1071 O VAL A 73 -10.329 8.907 -22.022 1.00 2.51 O ATOM 1072 CB VAL A 73 -8.641 11.115 -23.828 1.00 65.01 C ATOM 1073 CG1 VAL A 73 -9.916 10.803 -24.581 1.00 61.42 C ATOM 1074 CG2 VAL A 73 -8.386 12.609 -23.962 1.00 10.22 C ATOM 0 H VAL A 73 -6.771 11.312 -22.216 1.00 71.01 H new ATOM 0 HA VAL A 73 -9.524 11.349 -21.819 1.00 35.05 H new ATOM 0 HB VAL A 73 -7.821 10.532 -24.246 1.00 65.01 H new ATOM 0 HG11 VAL A 73 -9.797 11.081 -25.628 1.00 61.42 H new ATOM 0 HG12 VAL A 73 -10.128 9.736 -24.511 1.00 61.42 H new ATOM 0 HG13 VAL A 73 -10.742 11.367 -24.147 1.00 61.42 H new ATOM 0 HG21 VAL A 73 -8.306 12.871 -25.017 1.00 10.22 H new ATOM 0 HG22 VAL A 73 -9.212 13.161 -23.513 1.00 10.22 H new ATOM 0 HG23 VAL A 73 -7.457 12.867 -23.453 1.00 10.22 H new ATOM 1084 N ALA A 74 -8.144 8.343 -22.219 1.00 4.31 N ATOM 1085 CA ALA A 74 -8.420 6.917 -22.181 1.00 40.53 C ATOM 1086 C ALA A 74 -9.043 6.474 -20.874 1.00 54.53 C ATOM 1087 O ALA A 74 -10.053 5.780 -20.868 1.00 1.23 O ATOM 1088 CB ALA A 74 -7.124 6.133 -22.456 1.00 24.34 C ATOM 0 H ALA A 74 -7.154 8.581 -22.287 1.00 4.31 H new ATOM 0 HA ALA A 74 -9.153 6.705 -22.959 1.00 40.53 H new ATOM 0 HB1 ALA A 74 -7.333 5.064 -22.427 1.00 24.34 H new ATOM 0 HB2 ALA A 74 -6.738 6.401 -23.440 1.00 24.34 H new ATOM 0 HB3 ALA A 74 -6.382 6.379 -21.696 1.00 24.34 H new ATOM 1094 N ARG A 75 -8.473 6.864 -19.768 1.00 11.11 N ATOM 1095 CA ARG A 75 -9.020 6.486 -18.495 1.00 2.14 C ATOM 1096 C ARG A 75 -10.325 7.205 -18.196 1.00 45.53 C ATOM 1097 O ARG A 75 -11.226 6.654 -17.572 1.00 21.05 O ATOM 1098 CB ARG A 75 -8.011 6.690 -17.367 1.00 73.23 C ATOM 1099 CG ARG A 75 -7.429 8.079 -17.207 1.00 63.31 C ATOM 1100 CD ARG A 75 -6.639 8.220 -15.957 1.00 24.30 C ATOM 1101 NE ARG A 75 -5.860 9.487 -15.903 1.00 60.34 N ATOM 1102 CZ ARG A 75 -4.693 9.716 -16.483 1.00 64.25 C ATOM 1103 NH1 ARG A 75 -4.079 8.802 -17.211 1.00 64.11 N ATOM 1104 NH2 ARG A 75 -4.137 10.872 -16.352 1.00 54.14 N ATOM 0 H ARG A 75 -7.633 7.441 -19.722 1.00 11.11 H new ATOM 0 HA ARG A 75 -9.244 5.421 -18.555 1.00 2.14 H new ATOM 0 HB2 ARG A 75 -8.492 6.414 -16.429 1.00 73.23 H new ATOM 0 HB3 ARG A 75 -7.187 5.993 -17.520 1.00 73.23 H new ATOM 0 HG2 ARG A 75 -6.793 8.305 -18.063 1.00 63.31 H new ATOM 0 HG3 ARG A 75 -8.237 8.811 -17.208 1.00 63.31 H new ATOM 0 HD2 ARG A 75 -7.312 8.177 -15.101 1.00 24.30 H new ATOM 0 HD3 ARG A 75 -5.956 7.375 -15.868 1.00 24.30 H new ATOM 0 HE ARG A 75 -6.265 10.254 -15.366 1.00 60.34 H new ATOM 0 HH11 ARG A 75 -4.504 7.884 -17.341 1.00 64.11 H new ATOM 0 HH12 ARG A 75 -3.180 9.014 -17.643 1.00 64.11 H new ATOM 0 HH21 ARG A 75 -4.597 11.600 -15.805 1.00 54.14 H new ATOM 0 HH22 ARG A 75 -3.237 11.058 -16.795 1.00 54.14 H new ATOM 1118 N ALA A 76 -10.428 8.436 -18.661 1.00 34.11 N ATOM 1119 CA ALA A 76 -11.639 9.220 -18.451 1.00 55.54 C ATOM 1120 C ALA A 76 -12.820 8.643 -19.240 1.00 51.14 C ATOM 1121 O ALA A 76 -13.932 8.592 -18.742 1.00 1.42 O ATOM 1122 CB ALA A 76 -11.380 10.689 -18.846 1.00 10.21 C ATOM 0 H ALA A 76 -9.695 8.916 -19.184 1.00 34.11 H new ATOM 0 HA ALA A 76 -11.903 9.176 -17.394 1.00 55.54 H new ATOM 0 HB1 ALA A 76 -12.286 11.273 -18.688 1.00 10.21 H new ATOM 0 HB2 ALA A 76 -10.576 11.094 -18.232 1.00 10.21 H new ATOM 0 HB3 ALA A 76 -11.095 10.738 -19.897 1.00 10.21 H new ATOM 1128 N LEU A 77 -12.576 8.183 -20.461 1.00 52.54 N ATOM 1129 CA LEU A 77 -13.645 7.613 -21.275 1.00 3.42 C ATOM 1130 C LEU A 77 -13.972 6.198 -20.812 1.00 55.24 C ATOM 1131 O LEU A 77 -15.113 5.766 -20.900 1.00 3.25 O ATOM 1132 CB LEU A 77 -13.306 7.689 -22.767 1.00 51.30 C ATOM 1133 CG LEU A 77 -12.329 6.631 -23.329 1.00 2.31 C ATOM 1134 CD1 LEU A 77 -13.044 5.318 -23.756 1.00 1.44 C ATOM 1135 CD2 LEU A 77 -11.582 7.146 -24.529 1.00 4.32 C ATOM 0 H LEU A 77 -11.658 8.192 -20.906 1.00 52.54 H new ATOM 0 HA LEU A 77 -14.547 8.209 -21.138 1.00 3.42 H new ATOM 0 HB2 LEU A 77 -14.238 7.619 -23.328 1.00 51.30 H new ATOM 0 HB3 LEU A 77 -12.887 8.675 -22.967 1.00 51.30 H new ATOM 0 HG LEU A 77 -11.641 6.420 -22.510 1.00 2.31 H new ATOM 0 HD11 LEU A 77 -12.309 4.612 -24.143 1.00 1.44 H new ATOM 0 HD12 LEU A 77 -13.548 4.881 -22.894 1.00 1.44 H new ATOM 0 HD13 LEU A 77 -13.778 5.539 -24.531 1.00 1.44 H new ATOM 0 HD21 LEU A 77 -10.905 6.374 -24.895 1.00 4.32 H new ATOM 0 HD22 LEU A 77 -12.291 7.409 -25.314 1.00 4.32 H new ATOM 0 HD23 LEU A 77 -11.007 8.029 -24.249 1.00 4.32 H new ATOM 1147 N ALA A 78 -13.001 5.509 -20.245 1.00 73.53 N ATOM 1148 CA ALA A 78 -13.263 4.195 -19.653 1.00 1.05 C ATOM 1149 C ALA A 78 -14.273 4.351 -18.493 1.00 31.04 C ATOM 1150 O ALA A 78 -15.153 3.512 -18.296 1.00 61.34 O ATOM 1151 CB ALA A 78 -11.969 3.563 -19.153 1.00 44.35 C ATOM 0 H ALA A 78 -12.033 5.824 -20.178 1.00 73.53 H new ATOM 0 HA ALA A 78 -13.685 3.537 -20.413 1.00 1.05 H new ATOM 0 HB1 ALA A 78 -12.185 2.588 -18.717 1.00 44.35 H new ATOM 0 HB2 ALA A 78 -11.277 3.442 -19.987 1.00 44.35 H new ATOM 0 HB3 ALA A 78 -11.518 4.206 -18.397 1.00 44.35 H new ATOM 1157 N ALA A 79 -14.179 5.462 -17.767 1.00 40.43 N ATOM 1158 CA ALA A 79 -15.097 5.749 -16.670 1.00 74.00 C ATOM 1159 C ALA A 79 -16.526 6.069 -17.163 1.00 21.34 C ATOM 1160 O ALA A 79 -17.478 6.015 -16.380 1.00 71.52 O ATOM 1161 CB ALA A 79 -14.551 6.917 -15.821 1.00 43.53 C ATOM 0 H ALA A 79 -13.472 6.181 -17.920 1.00 40.43 H new ATOM 0 HA ALA A 79 -15.165 4.849 -16.059 1.00 74.00 H new ATOM 0 HB1 ALA A 79 -15.241 7.126 -15.004 1.00 43.53 H new ATOM 0 HB2 ALA A 79 -13.577 6.646 -15.413 1.00 43.53 H new ATOM 0 HB3 ALA A 79 -14.449 7.804 -16.446 1.00 43.53 H new ATOM 1167 N LYS A 80 -16.688 6.343 -18.452 1.00 23.35 N ATOM 1168 CA LYS A 80 -18.029 6.576 -19.027 1.00 22.42 C ATOM 1169 C LYS A 80 -18.880 5.320 -18.836 1.00 70.34 C ATOM 1170 O LYS A 80 -20.091 5.415 -18.658 1.00 24.31 O ATOM 1171 CB LYS A 80 -17.925 6.902 -20.537 1.00 4.32 C ATOM 1172 CG LYS A 80 -19.214 7.405 -21.208 1.00 14.52 C ATOM 1173 CD LYS A 80 -19.025 7.467 -22.739 1.00 52.20 C ATOM 1174 CE LYS A 80 -20.287 7.960 -23.462 1.00 14.10 C ATOM 1175 NZ LYS A 80 -20.100 7.988 -24.951 1.00 51.12 N ATOM 0 H LYS A 80 -15.922 6.411 -19.122 1.00 23.35 H new ATOM 0 HA LYS A 80 -18.490 7.423 -18.519 1.00 22.42 H new ATOM 0 HB2 LYS A 80 -17.150 7.656 -20.673 1.00 4.32 H new ATOM 0 HB3 LYS A 80 -17.593 6.005 -21.060 1.00 4.32 H new ATOM 0 HG2 LYS A 80 -20.044 6.742 -20.963 1.00 14.52 H new ATOM 0 HG3 LYS A 80 -19.471 8.393 -20.825 1.00 14.52 H new ATOM 0 HD2 LYS A 80 -18.192 8.130 -22.974 1.00 52.20 H new ATOM 0 HD3 LYS A 80 -18.759 6.477 -23.111 1.00 52.20 H new ATOM 0 HE2 LYS A 80 -21.126 7.310 -23.213 1.00 14.10 H new ATOM 0 HE3 LYS A 80 -20.542 8.959 -23.109 1.00 14.10 H new ATOM 0 HZ1 LYS A 80 -21.023 8.110 -25.415 1.00 51.12 H new ATOM 0 HZ2 LYS A 80 -19.476 8.780 -25.208 1.00 51.12 H new ATOM 0 HZ3 LYS A 80 -19.671 7.094 -25.264 1.00 51.12 H new ATOM 1189 N SER A 81 -18.254 4.152 -18.835 1.00 21.42 N ATOM 1190 CA SER A 81 -18.979 2.899 -18.654 1.00 2.21 C ATOM 1191 C SER A 81 -19.587 2.776 -17.260 1.00 30.41 C ATOM 1192 O SER A 81 -20.671 2.230 -17.094 1.00 32.44 O ATOM 1193 CB SER A 81 -18.027 1.730 -18.905 1.00 71.44 C ATOM 1194 OG SER A 81 -17.331 1.915 -20.126 1.00 73.51 O ATOM 0 H SER A 81 -17.247 4.044 -18.957 1.00 21.42 H new ATOM 0 HA SER A 81 -19.803 2.884 -19.368 1.00 2.21 H new ATOM 0 HB2 SER A 81 -17.316 1.648 -18.082 1.00 71.44 H new ATOM 0 HB3 SER A 81 -18.588 0.796 -18.936 1.00 71.44 H new ATOM 0 HG SER A 81 -16.724 1.160 -20.274 1.00 73.51 H new ATOM 1200 N ALA A 82 -18.922 3.344 -16.265 1.00 74.43 N ATOM 1201 CA ALA A 82 -19.444 3.331 -14.899 1.00 30.32 C ATOM 1202 C ALA A 82 -20.576 4.350 -14.755 1.00 15.22 C ATOM 1203 O ALA A 82 -21.466 4.205 -13.924 1.00 23.40 O ATOM 1204 CB ALA A 82 -18.313 3.638 -13.904 1.00 62.34 C ATOM 0 H ALA A 82 -18.025 3.818 -16.372 1.00 74.43 H new ATOM 0 HA ALA A 82 -19.843 2.341 -14.681 1.00 30.32 H new ATOM 0 HB1 ALA A 82 -18.709 3.627 -12.888 1.00 62.34 H new ATOM 0 HB2 ALA A 82 -17.532 2.884 -13.997 1.00 62.34 H new ATOM 0 HB3 ALA A 82 -17.896 4.621 -14.120 1.00 62.34 H new ATOM 1210 N SER A 83 -20.542 5.367 -15.606 1.00 11.34 N ATOM 1211 CA SER A 83 -21.530 6.440 -15.595 1.00 13.31 C ATOM 1212 C SER A 83 -22.876 6.028 -16.199 1.00 10.01 C ATOM 1213 O SER A 83 -23.802 6.820 -16.232 1.00 4.52 O ATOM 1214 CB SER A 83 -20.977 7.633 -16.375 1.00 13.41 C ATOM 1215 OG SER A 83 -19.697 8.009 -15.888 1.00 22.24 O ATOM 0 H SER A 83 -19.827 5.472 -16.326 1.00 11.34 H new ATOM 0 HA SER A 83 -21.713 6.697 -14.552 1.00 13.31 H new ATOM 0 HB2 SER A 83 -20.908 7.380 -17.433 1.00 13.41 H new ATOM 0 HB3 SER A 83 -21.663 8.476 -16.293 1.00 13.41 H new ATOM 0 HG SER A 83 -19.037 7.333 -16.148 1.00 22.24 H new ATOM 1221 N TRP A 84 -22.968 4.789 -16.660 1.00 22.52 N ATOM 1222 CA TRP A 84 -24.220 4.267 -17.214 1.00 20.24 C ATOM 1223 C TRP A 84 -25.336 4.278 -16.161 1.00 55.02 C ATOM 1224 O TRP A 84 -26.481 4.622 -16.458 1.00 63.41 O ATOM 1225 CB TRP A 84 -24.004 2.837 -17.728 1.00 72.40 C ATOM 1226 CG TRP A 84 -25.299 2.128 -18.021 1.00 63.43 C ATOM 1227 CD1 TRP A 84 -25.855 1.107 -17.320 1.00 72.44 C ATOM 1228 CD2 TRP A 84 -26.216 2.386 -19.105 1.00 24.02 C ATOM 1229 NE1 TRP A 84 -27.044 0.712 -17.860 1.00 75.53 N ATOM 1230 CE2 TRP A 84 -27.306 1.475 -18.957 1.00 10.23 C ATOM 1231 CE3 TRP A 84 -26.239 3.307 -20.170 1.00 55.23 C ATOM 1232 CZ2 TRP A 84 -28.408 1.459 -19.845 1.00 70.23 C ATOM 1233 CZ3 TRP A 84 -27.341 3.290 -21.074 1.00 50.22 C ATOM 1234 CH2 TRP A 84 -28.411 2.357 -20.897 1.00 11.41 C ATOM 0 H TRP A 84 -22.195 4.123 -16.664 1.00 22.52 H new ATOM 0 HA TRP A 84 -24.523 4.910 -18.040 1.00 20.24 H new ATOM 0 HB2 TRP A 84 -23.397 2.867 -18.633 1.00 72.40 H new ATOM 0 HB3 TRP A 84 -23.442 2.269 -16.987 1.00 72.40 H new ATOM 0 HD1 TRP A 84 -25.410 0.662 -16.442 1.00 72.44 H new ATOM 0 HE1 TRP A 84 -27.640 -0.034 -17.500 1.00 75.53 H new ATOM 0 HE3 TRP A 84 -25.434 4.015 -20.300 1.00 55.23 H new ATOM 0 HZ2 TRP A 84 -29.224 0.765 -19.705 1.00 70.23 H new ATOM 0 HZ3 TRP A 84 -27.368 3.987 -21.899 1.00 50.22 H new ATOM 0 HH2 TRP A 84 -29.234 2.354 -21.596 1.00 11.41 H new ATOM 1245 N SER A 85 -25.007 3.888 -14.937 1.00 72.44 N ATOM 1246 CA SER A 85 -25.993 3.867 -13.863 1.00 65.33 C ATOM 1247 C SER A 85 -26.049 5.243 -13.224 1.00 73.25 C ATOM 1248 O SER A 85 -25.125 5.657 -12.531 1.00 71.34 O ATOM 1249 CB SER A 85 -25.628 2.811 -12.810 1.00 25.21 C ATOM 1250 OG SER A 85 -26.625 2.729 -11.811 1.00 33.13 O ATOM 0 H SER A 85 -24.073 3.584 -14.663 1.00 72.44 H new ATOM 0 HA SER A 85 -26.968 3.608 -14.275 1.00 65.33 H new ATOM 0 HB2 SER A 85 -25.508 1.840 -13.290 1.00 25.21 H new ATOM 0 HB3 SER A 85 -24.670 3.062 -12.354 1.00 25.21 H new ATOM 0 HG SER A 85 -26.372 2.049 -11.152 1.00 33.13 H new ATOM 1256 N HIS A 86 -27.141 5.948 -13.457 1.00 12.44 N ATOM 1257 CA HIS A 86 -27.330 7.265 -12.866 1.00 60.25 C ATOM 1258 C HIS A 86 -27.778 7.113 -11.408 1.00 64.31 C ATOM 1259 O HIS A 86 -28.409 6.121 -11.054 1.00 24.02 O ATOM 1260 CB HIS A 86 -28.361 8.090 -13.667 1.00 55.13 C ATOM 1261 CG HIS A 86 -29.689 7.411 -13.845 1.00 1.34 C ATOM 1262 ND1 HIS A 86 -30.004 6.590 -14.906 1.00 45.11 N ATOM 1263 CD2 HIS A 86 -30.818 7.442 -13.079 1.00 35.22 C ATOM 1264 CE1 HIS A 86 -31.264 6.168 -14.746 1.00 51.31 C ATOM 1265 NE2 HIS A 86 -31.810 6.666 -13.655 1.00 53.33 N ATOM 0 H HIS A 86 -27.910 5.634 -14.049 1.00 12.44 H new ATOM 0 HA HIS A 86 -26.382 7.802 -12.896 1.00 60.25 H new ATOM 0 HB2 HIS A 86 -28.518 9.043 -13.162 1.00 55.13 H new ATOM 0 HB3 HIS A 86 -27.946 8.314 -14.650 1.00 55.13 H new ATOM 0 HD2 HIS A 86 -30.923 7.993 -12.156 1.00 35.22 H new ATOM 0 HE1 HIS A 86 -31.771 5.501 -15.428 1.00 51.31 H new ATOM 0 HE2 HIS A 86 -32.758 6.513 -13.310 1.00 53.33 H new ATOM 1273 N PRO A 87 -27.415 8.076 -10.538 1.00 43.51 N ATOM 1274 CA PRO A 87 -27.852 7.985 -9.143 1.00 64.21 C ATOM 1275 C PRO A 87 -29.314 8.396 -8.982 1.00 13.43 C ATOM 1276 O PRO A 87 -29.958 8.832 -9.939 1.00 21.12 O ATOM 1277 CB PRO A 87 -26.919 8.968 -8.434 1.00 54.10 C ATOM 1278 CG PRO A 87 -26.722 10.033 -9.438 1.00 53.31 C ATOM 1279 CD PRO A 87 -26.622 9.307 -10.760 1.00 73.20 C ATOM 0 HA PRO A 87 -27.801 6.972 -8.744 1.00 64.21 H new ATOM 0 HB2 PRO A 87 -27.364 9.356 -7.518 1.00 54.10 H new ATOM 0 HB3 PRO A 87 -25.976 8.498 -8.156 1.00 54.10 H new ATOM 0 HG2 PRO A 87 -27.554 10.737 -9.436 1.00 53.31 H new ATOM 0 HG3 PRO A 87 -25.818 10.607 -9.233 1.00 53.31 H new ATOM 0 HD2 PRO A 87 -27.027 9.904 -11.577 1.00 73.20 H new ATOM 0 HD3 PRO A 87 -25.587 9.078 -11.015 1.00 73.20 H new ATOM 1287 N GLN A 88 -29.837 8.270 -7.777 1.00 60.25 N ATOM 1288 CA GLN A 88 -31.207 8.704 -7.496 1.00 1.23 C ATOM 1289 C GLN A 88 -31.272 10.224 -7.609 1.00 14.32 C ATOM 1290 O GLN A 88 -30.334 10.923 -7.234 1.00 70.11 O ATOM 1291 CB GLN A 88 -31.643 8.263 -6.097 1.00 31.24 C ATOM 1292 CG GLN A 88 -31.841 6.742 -5.962 1.00 70.01 C ATOM 1293 CD GLN A 88 -30.546 5.946 -6.101 1.00 34.52 C ATOM 1294 OE1 GLN A 88 -29.535 6.268 -5.496 1.00 33.41 O ATOM 1295 NE2 GLN A 88 -30.570 4.935 -6.927 1.00 12.14 N ATOM 0 H GLN A 88 -29.344 7.874 -6.977 1.00 60.25 H new ATOM 0 HA GLN A 88 -31.884 8.246 -8.217 1.00 1.23 H new ATOM 0 HB2 GLN A 88 -30.896 8.589 -5.373 1.00 31.24 H new ATOM 0 HB3 GLN A 88 -32.575 8.766 -5.841 1.00 31.24 H new ATOM 0 HG2 GLN A 88 -32.289 6.526 -4.992 1.00 70.01 H new ATOM 0 HG3 GLN A 88 -32.548 6.407 -6.721 1.00 70.01 H new ATOM 0 HE21 GLN A 88 -31.433 4.695 -7.415 1.00 12.14 H new ATOM 0 HE22 GLN A 88 -29.726 4.385 -7.084 1.00 12.14 H new ATOM 1304 N PHE A 89 -32.366 10.726 -8.164 1.00 40.40 N ATOM 1305 CA PHE A 89 -32.513 12.155 -8.400 1.00 34.22 C ATOM 1306 C PHE A 89 -32.772 12.925 -7.110 1.00 50.31 C ATOM 1307 O PHE A 89 -33.537 12.483 -6.250 1.00 12.01 O ATOM 1308 CB PHE A 89 -33.672 12.397 -9.377 1.00 23.42 C ATOM 1309 CG PHE A 89 -33.494 11.703 -10.708 1.00 53.04 C ATOM 1310 CD1 PHE A 89 -32.711 12.295 -11.707 1.00 71.53 C ATOM 1311 CD2 PHE A 89 -34.109 10.452 -10.971 1.00 12.04 C ATOM 1312 CE1 PHE A 89 -32.529 11.633 -12.965 1.00 4.31 C ATOM 1313 CE2 PHE A 89 -33.934 9.795 -12.209 1.00 11.34 C ATOM 1314 CZ PHE A 89 -33.152 10.384 -13.209 1.00 23.41 C ATOM 0 H PHE A 89 -33.165 10.165 -8.459 1.00 40.40 H new ATOM 0 HA PHE A 89 -31.576 12.518 -8.823 1.00 34.22 H new ATOM 0 HB2 PHE A 89 -34.600 12.055 -8.919 1.00 23.42 H new ATOM 0 HB3 PHE A 89 -33.776 13.469 -9.546 1.00 23.42 H new ATOM 0 HD1 PHE A 89 -32.243 13.252 -11.529 1.00 71.53 H new ATOM 0 HD2 PHE A 89 -34.723 9.993 -10.210 1.00 12.04 H new ATOM 0 HE1 PHE A 89 -31.915 12.087 -13.729 1.00 4.31 H new ATOM 0 HE2 PHE A 89 -34.404 8.838 -12.384 1.00 11.34 H new ATOM 0 HZ PHE A 89 -33.024 9.890 -14.161 1.00 23.41 H new ATOM 1324 N GLU A 90 -32.131 14.082 -6.997 1.00 42.02 N ATOM 1325 CA GLU A 90 -32.291 14.964 -5.838 1.00 5.44 C ATOM 1326 C GLU A 90 -33.266 16.093 -6.176 1.00 41.21 C ATOM 1327 O GLU A 90 -33.615 16.286 -7.343 1.00 60.25 O ATOM 1328 CB GLU A 90 -30.928 15.564 -5.455 1.00 51.42 C ATOM 1329 CG GLU A 90 -29.883 14.516 -5.100 1.00 14.51 C ATOM 1330 CD GLU A 90 -28.578 15.136 -4.617 1.00 61.44 C ATOM 1331 OE1 GLU A 90 -28.003 15.970 -5.353 1.00 13.12 O ATOM 1332 OE2 GLU A 90 -28.103 14.763 -3.514 1.00 75.45 O ATOM 0 H GLU A 90 -31.486 14.438 -7.702 1.00 42.02 H new ATOM 0 HA GLU A 90 -32.684 14.387 -5.001 1.00 5.44 H new ATOM 0 HB2 GLU A 90 -30.559 16.167 -6.285 1.00 51.42 H new ATOM 0 HB3 GLU A 90 -31.061 16.236 -4.607 1.00 51.42 H new ATOM 0 HG2 GLU A 90 -30.279 13.860 -4.325 1.00 14.51 H new ATOM 0 HG3 GLU A 90 -29.685 13.894 -5.973 1.00 14.51 H new ATOM 1339 N LYS A 91 -33.702 16.821 -5.158 1.00 65.31 N ATOM 1340 CA LYS A 91 -34.637 17.944 -5.302 1.00 41.22 C ATOM 1341 C LYS A 91 -34.557 18.681 -3.980 1.00 53.53 C ATOM 1342 O LYS A 91 -34.037 18.039 -3.035 1.00 2.03 O ATOM 1343 CB LYS A 91 -36.080 17.477 -5.589 1.00 51.32 C ATOM 1344 CG LYS A 91 -36.894 17.006 -4.355 1.00 24.34 C ATOM 1345 CD LYS A 91 -36.317 15.769 -3.673 1.00 63.12 C ATOM 1346 CE LYS A 91 -36.953 15.552 -2.318 1.00 22.13 C ATOM 1347 NZ LYS A 91 -36.155 14.541 -1.555 1.00 45.45 N ATOM 0 H LYS A 91 -33.417 16.652 -4.193 1.00 65.31 H new ATOM 0 HA LYS A 91 -34.371 18.573 -6.151 1.00 41.22 H new ATOM 0 HB2 LYS A 91 -36.619 18.296 -6.065 1.00 51.32 H new ATOM 0 HB3 LYS A 91 -36.041 16.659 -6.309 1.00 51.32 H new ATOM 0 HG2 LYS A 91 -36.942 17.819 -3.631 1.00 24.34 H new ATOM 0 HG3 LYS A 91 -37.917 16.794 -4.665 1.00 24.34 H new ATOM 0 HD2 LYS A 91 -36.481 14.893 -4.301 1.00 63.12 H new ATOM 0 HD3 LYS A 91 -35.239 15.882 -3.559 1.00 63.12 H new ATOM 0 HE2 LYS A 91 -36.993 16.492 -1.767 1.00 22.13 H new ATOM 0 HE3 LYS A 91 -37.980 15.208 -2.436 1.00 22.13 H new ATOM 0 HZ1 LYS A 91 -36.589 14.389 -0.622 1.00 45.45 H new ATOM 0 HZ2 LYS A 91 -36.139 13.643 -2.080 1.00 45.45 H new ATOM 0 HZ3 LYS A 91 -35.182 14.888 -1.432 1.00 45.45 H new TER 1361 LYS A 91