USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 966 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -53:sc= 0.647 USER MOD Single : A 22 SER OG : rot 78:sc= 0.0203 USER MOD Single : A 24 TYR OH : rot 140:sc= 0.119 USER MOD Single : A 29 GLN : amide:sc= -3.73! C(o=-3.7!,f=-14!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -175:sc= -0.978 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 50 THR OG1 : rot -26:sc= 0.0858 USER MOD Single : A 54 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.93! C(o=-2.9!,f=-2.6!) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0533 USER MOD Single : A 60 CYS SG : rot -4:sc= -0.356 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 100:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.0818 F(o=-0.51,f=0.082) USER MOD Single : A 77 GLN : amide:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 79 SER OG : rot 7:sc= 0.127 USER MOD Single : A 82 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.1) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 93 THR OG1 : rot 72:sc= 0.651 USER MOD Single : A 96 GLN : amide:sc= -0.156 K(o=-0.16,f=-3.3!) USER MOD Single : A 100 HIS : no HD1:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -132:sc= -1.61 (180deg=-4.13!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 174:sc=-0.00616 (180deg=-0.0773) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.526 34.606 -5.154 1.00 0.00 N ATOM 2 CA GLY A 1 -19.967 33.639 -6.082 1.00 0.00 C ATOM 3 C GLY A 1 -18.988 32.694 -5.414 1.00 0.00 C ATOM 4 O GLY A 1 -19.319 32.047 -4.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.189 35.229 -5.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.031 34.106 -4.394 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.759 35.177 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.775 33.062 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.463 34.166 -6.892 1.00 0.00 H new ATOM 8 N SER A 2 -17.779 32.612 -5.961 1.00 0.00 N ATOM 9 CA SER A 2 -16.751 31.734 -5.415 1.00 0.00 C ATOM 10 C SER A 2 -16.395 32.137 -3.987 1.00 0.00 C ATOM 11 O SER A 2 -16.784 33.206 -3.517 1.00 0.00 O ATOM 12 CB SER A 2 -15.499 31.772 -6.294 1.00 0.00 C ATOM 13 OG SER A 2 -15.700 31.053 -7.498 1.00 0.00 O ATOM 0 H SER A 2 -17.488 33.143 -6.782 1.00 0.00 H new ATOM 0 HA SER A 2 -17.146 30.718 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.243 32.806 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.655 31.348 -5.750 1.00 0.00 H new ATOM 0 HG SER A 2 -14.887 31.094 -8.043 1.00 0.00 H new ATOM 19 N SER A 3 -15.655 31.272 -3.302 1.00 0.00 N ATOM 20 CA SER A 3 -15.249 31.534 -1.926 1.00 0.00 C ATOM 21 C SER A 3 -14.310 32.734 -1.856 1.00 0.00 C ATOM 22 O SER A 3 -13.417 32.887 -2.688 1.00 0.00 O ATOM 23 CB SER A 3 -14.566 30.301 -1.329 1.00 0.00 C ATOM 24 OG SER A 3 -13.439 29.920 -2.099 1.00 0.00 O ATOM 0 H SER A 3 -15.324 30.383 -3.677 1.00 0.00 H new ATOM 0 HA SER A 3 -16.144 31.761 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.257 30.513 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.275 29.475 -1.283 1.00 0.00 H new ATOM 0 HG SER A 3 -13.019 29.131 -1.696 1.00 0.00 H new ATOM 30 N GLY A 4 -14.519 33.583 -0.855 1.00 0.00 N ATOM 31 CA GLY A 4 -13.684 34.759 -0.693 1.00 0.00 C ATOM 32 C GLY A 4 -12.285 34.417 -0.219 1.00 0.00 C ATOM 33 O GLY A 4 -11.386 34.191 -1.029 1.00 0.00 O ATOM 0 H GLY A 4 -15.252 33.478 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.623 35.291 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.151 35.436 0.022 1.00 0.00 H new ATOM 37 N SER A 5 -12.101 34.379 1.097 1.00 0.00 N ATOM 38 CA SER A 5 -10.800 34.067 1.678 1.00 0.00 C ATOM 39 C SER A 5 -10.855 32.760 2.463 1.00 0.00 C ATOM 40 O SER A 5 -11.191 32.748 3.647 1.00 0.00 O ATOM 41 CB SER A 5 -10.340 35.205 2.591 1.00 0.00 C ATOM 42 OG SER A 5 -9.182 34.836 3.321 1.00 0.00 O ATOM 0 H SER A 5 -12.836 34.560 1.781 1.00 0.00 H new ATOM 0 HA SER A 5 -10.084 33.952 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.130 36.092 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.141 35.468 3.282 1.00 0.00 H new ATOM 0 HG SER A 5 -8.907 35.580 3.896 1.00 0.00 H new ATOM 48 N SER A 6 -10.523 31.661 1.793 1.00 0.00 N ATOM 49 CA SER A 6 -10.538 30.347 2.426 1.00 0.00 C ATOM 50 C SER A 6 -9.685 30.343 3.691 1.00 0.00 C ATOM 51 O SER A 6 -10.143 29.945 4.761 1.00 0.00 O ATOM 52 CB SER A 6 -10.030 29.283 1.451 1.00 0.00 C ATOM 53 OG SER A 6 -10.391 27.982 1.883 1.00 0.00 O ATOM 0 H SER A 6 -10.241 31.654 0.813 1.00 0.00 H new ATOM 0 HA SER A 6 -11.567 30.116 2.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.442 29.468 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.946 29.353 1.364 1.00 0.00 H new ATOM 0 HG SER A 6 -10.056 27.320 1.242 1.00 0.00 H new ATOM 59 N GLY A 7 -8.439 30.790 3.559 1.00 0.00 N ATOM 60 CA GLY A 7 -7.541 30.830 4.697 1.00 0.00 C ATOM 61 C GLY A 7 -6.161 30.297 4.366 1.00 0.00 C ATOM 62 O GLY A 7 -6.022 29.175 3.882 1.00 0.00 O ATOM 0 H GLY A 7 -8.036 31.125 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.455 31.857 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.967 30.246 5.513 1.00 0.00 H new ATOM 66 N GLU A 8 -5.138 31.106 4.626 1.00 0.00 N ATOM 67 CA GLU A 8 -3.762 30.709 4.349 1.00 0.00 C ATOM 68 C GLU A 8 -3.278 29.679 5.366 1.00 0.00 C ATOM 69 O GLU A 8 -3.491 29.831 6.568 1.00 0.00 O ATOM 70 CB GLU A 8 -2.842 31.931 4.368 1.00 0.00 C ATOM 71 CG GLU A 8 -3.161 32.950 3.287 1.00 0.00 C ATOM 72 CD GLU A 8 -1.978 33.838 2.954 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.516 34.571 3.854 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.514 33.800 1.796 1.00 0.00 O ATOM 0 H GLU A 8 -5.236 32.039 5.027 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.734 30.257 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.913 32.414 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.810 31.600 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.484 32.429 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.996 33.571 3.613 1.00 0.00 H new ATOM 81 N GLU A 9 -2.627 28.630 4.872 1.00 0.00 N ATOM 82 CA GLU A 9 -2.115 27.573 5.737 1.00 0.00 C ATOM 83 C GLU A 9 -1.080 26.724 5.004 1.00 0.00 C ATOM 84 O GLU A 9 -0.920 26.834 3.789 1.00 0.00 O ATOM 85 CB GLU A 9 -3.260 26.687 6.231 1.00 0.00 C ATOM 86 CG GLU A 9 -3.854 25.800 5.150 1.00 0.00 C ATOM 87 CD GLU A 9 -4.721 24.692 5.715 1.00 0.00 C ATOM 88 OE1 GLU A 9 -5.258 24.867 6.829 1.00 0.00 O ATOM 89 OE2 GLU A 9 -4.862 23.649 5.043 1.00 0.00 O ATOM 0 H GLU A 9 -2.442 28.490 3.879 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.633 28.043 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.897 26.060 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.046 27.320 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.449 26.411 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.048 25.361 4.562 1.00 0.00 H new ATOM 96 N ASP A 10 -0.380 25.879 5.753 1.00 0.00 N ATOM 97 CA ASP A 10 0.639 25.010 5.175 1.00 0.00 C ATOM 98 C ASP A 10 0.061 23.637 4.848 1.00 0.00 C ATOM 99 O ASP A 10 -1.017 23.278 5.322 1.00 0.00 O ATOM 100 CB ASP A 10 1.819 24.864 6.137 1.00 0.00 C ATOM 101 CG ASP A 10 2.431 26.200 6.509 1.00 0.00 C ATOM 102 OD1 ASP A 10 3.024 26.849 5.622 1.00 0.00 O ATOM 103 OD2 ASP A 10 2.319 26.597 7.688 1.00 0.00 O ATOM 0 H ASP A 10 -0.499 25.777 6.761 1.00 0.00 H new ATOM 0 HA ASP A 10 0.988 25.467 4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.486 24.356 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.581 24.233 5.679 1.00 0.00 H new ATOM 108 N TRP A 11 0.784 22.875 4.036 1.00 0.00 N ATOM 109 CA TRP A 11 0.341 21.541 3.644 1.00 0.00 C ATOM 110 C TRP A 11 1.079 20.468 4.438 1.00 0.00 C ATOM 111 O TRP A 11 2.306 20.380 4.389 1.00 0.00 O ATOM 112 CB TRP A 11 0.562 21.327 2.146 1.00 0.00 C ATOM 113 CG TRP A 11 -0.426 20.386 1.528 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.341 19.612 2.184 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.598 20.117 0.132 1.00 0.00 C ATOM 116 NE1 TRP A 11 -2.071 18.878 1.279 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.635 19.171 0.014 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.022 20.586 -1.029 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -2.062 18.686 -1.219 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.403 20.103 -2.252 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.437 19.162 -2.340 1.00 0.00 C ATOM 0 H TRP A 11 1.679 23.157 3.636 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.724 21.460 3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.504 22.289 1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.569 20.942 1.986 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.472 19.581 3.256 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.816 18.222 1.512 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.819 21.313 -0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.858 17.960 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.070 20.457 -3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.747 18.805 -3.311 1.00 0.00 H new ATOM 132 N VAL A 12 0.324 19.654 5.168 1.00 0.00 N ATOM 133 CA VAL A 12 0.907 18.585 5.971 1.00 0.00 C ATOM 134 C VAL A 12 1.409 17.447 5.090 1.00 0.00 C ATOM 135 O VAL A 12 2.404 16.794 5.406 1.00 0.00 O ATOM 136 CB VAL A 12 -0.109 18.026 6.984 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.326 17.465 6.266 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.541 16.965 7.859 1.00 0.00 C ATOM 0 H VAL A 12 -0.693 19.714 5.220 1.00 0.00 H new ATOM 0 HA VAL A 12 1.748 19.019 6.513 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.441 18.841 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.033 17.075 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.803 18.256 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.016 16.662 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.191 16.581 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.903 16.149 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.378 17.404 8.402 1.00 0.00 H new ATOM 148 N LEU A 13 0.714 17.213 3.982 1.00 0.00 N ATOM 149 CA LEU A 13 1.088 16.153 3.053 1.00 0.00 C ATOM 150 C LEU A 13 2.598 16.128 2.835 1.00 0.00 C ATOM 151 O LEU A 13 3.274 15.139 3.117 1.00 0.00 O ATOM 152 CB LEU A 13 0.371 16.343 1.715 1.00 0.00 C ATOM 153 CG LEU A 13 1.142 15.901 0.471 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.216 14.383 0.400 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.495 16.464 -0.786 1.00 0.00 C ATOM 0 H LEU A 13 -0.112 17.744 3.705 1.00 0.00 H new ATOM 0 HA LEU A 13 0.786 15.200 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.570 15.794 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.120 17.398 1.607 1.00 0.00 H new ATOM 0 HG LEU A 13 2.157 16.291 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.768 14.087 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.725 14.002 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.208 13.971 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.057 16.139 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.531 16.104 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.495 17.553 -0.739 1.00 0.00 H new ATOM 167 N PRO A 14 3.140 17.243 2.322 1.00 0.00 N ATOM 168 CA PRO A 14 4.575 17.375 2.057 1.00 0.00 C ATOM 169 C PRO A 14 5.397 17.448 3.339 1.00 0.00 C ATOM 170 O PRO A 14 6.544 17.003 3.379 1.00 0.00 O ATOM 171 CB PRO A 14 4.673 18.692 1.283 1.00 0.00 C ATOM 172 CG PRO A 14 3.476 19.471 1.708 1.00 0.00 C ATOM 173 CD PRO A 14 2.393 18.460 1.961 1.00 0.00 C ATOM 0 HA PRO A 14 4.970 16.516 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.595 19.223 1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.672 18.520 0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.687 20.051 2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.176 20.179 0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.728 18.776 2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.774 18.304 1.077 1.00 0.00 H new ATOM 181 N SER A 15 4.803 18.012 4.386 1.00 0.00 N ATOM 182 CA SER A 15 5.482 18.146 5.669 1.00 0.00 C ATOM 183 C SER A 15 5.802 16.776 6.260 1.00 0.00 C ATOM 184 O SER A 15 6.865 16.575 6.847 1.00 0.00 O ATOM 185 CB SER A 15 4.618 18.946 6.646 1.00 0.00 C ATOM 186 OG SER A 15 3.751 18.095 7.376 1.00 0.00 O ATOM 0 H SER A 15 3.853 18.383 4.371 1.00 0.00 H new ATOM 0 HA SER A 15 6.418 18.679 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.258 19.496 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.032 19.684 6.098 1.00 0.00 H new ATOM 0 HG SER A 15 3.241 17.536 6.753 1.00 0.00 H new ATOM 192 N GLU A 16 4.874 15.838 6.100 1.00 0.00 N ATOM 193 CA GLU A 16 5.057 14.487 6.619 1.00 0.00 C ATOM 194 C GLU A 16 6.045 13.704 5.760 1.00 0.00 C ATOM 195 O GLU A 16 7.034 13.170 6.262 1.00 0.00 O ATOM 196 CB GLU A 16 3.716 13.752 6.672 1.00 0.00 C ATOM 197 CG GLU A 16 3.775 12.432 7.422 1.00 0.00 C ATOM 198 CD GLU A 16 2.501 11.622 7.279 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.772 11.831 6.287 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.233 10.778 8.160 1.00 0.00 O ATOM 0 H GLU A 16 3.989 15.988 5.616 1.00 0.00 H new ATOM 0 HA GLU A 16 5.461 14.564 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.976 14.397 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.372 13.567 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.617 11.846 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.961 12.627 8.478 1.00 0.00 H new ATOM 207 N VAL A 17 5.770 13.640 4.461 1.00 0.00 N ATOM 208 CA VAL A 17 6.634 12.923 3.531 1.00 0.00 C ATOM 209 C VAL A 17 8.104 13.106 3.894 1.00 0.00 C ATOM 210 O VAL A 17 8.902 12.177 3.777 1.00 0.00 O ATOM 211 CB VAL A 17 6.412 13.394 2.082 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.337 12.650 1.130 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.957 13.208 1.678 1.00 0.00 C ATOM 0 H VAL A 17 4.955 14.076 4.029 1.00 0.00 H new ATOM 0 HA VAL A 17 6.373 11.867 3.606 1.00 0.00 H new ATOM 0 HB VAL A 17 6.649 14.456 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.165 12.996 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.374 12.839 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.135 11.580 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.818 13.546 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.691 12.154 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.318 13.791 2.341 1.00 0.00 H new ATOM 223 N GLU A 18 8.453 14.310 4.336 1.00 0.00 N ATOM 224 CA GLU A 18 9.828 14.614 4.716 1.00 0.00 C ATOM 225 C GLU A 18 10.301 13.688 5.833 1.00 0.00 C ATOM 226 O GLU A 18 11.394 13.126 5.767 1.00 0.00 O ATOM 227 CB GLU A 18 9.946 16.073 5.163 1.00 0.00 C ATOM 228 CG GLU A 18 9.889 17.067 4.016 1.00 0.00 C ATOM 229 CD GLU A 18 10.548 18.390 4.358 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.245 18.942 5.437 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.365 18.873 3.547 1.00 0.00 O ATOM 0 H GLU A 18 7.804 15.090 4.440 1.00 0.00 H new ATOM 0 HA GLU A 18 10.463 14.456 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.143 16.295 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.885 16.205 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.378 16.637 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.848 17.243 3.744 1.00 0.00 H new ATOM 238 N VAL A 19 9.470 13.535 6.858 1.00 0.00 N ATOM 239 CA VAL A 19 9.802 12.677 7.990 1.00 0.00 C ATOM 240 C VAL A 19 9.599 11.206 7.643 1.00 0.00 C ATOM 241 O VAL A 19 10.176 10.322 8.278 1.00 0.00 O ATOM 242 CB VAL A 19 8.950 13.024 9.226 1.00 0.00 C ATOM 243 CG1 VAL A 19 7.469 12.866 8.915 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.350 12.155 10.408 1.00 0.00 C ATOM 0 H VAL A 19 8.562 13.994 6.929 1.00 0.00 H new ATOM 0 HA VAL A 19 10.853 12.851 8.222 1.00 0.00 H new ATOM 0 HB VAL A 19 9.132 14.065 9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.883 13.115 9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.195 13.534 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.266 11.835 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.739 12.413 11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.198 11.106 10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.401 12.323 10.644 1.00 0.00 H new ATOM 254 N LEU A 20 8.777 10.951 6.631 1.00 0.00 N ATOM 255 CA LEU A 20 8.498 9.586 6.198 1.00 0.00 C ATOM 256 C LEU A 20 9.684 9.004 5.434 1.00 0.00 C ATOM 257 O LEU A 20 10.246 7.983 5.827 1.00 0.00 O ATOM 258 CB LEU A 20 7.246 9.555 5.320 1.00 0.00 C ATOM 259 CG LEU A 20 5.908 9.570 6.059 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.775 9.913 5.104 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.654 8.229 6.732 1.00 0.00 C ATOM 0 H LEU A 20 8.292 11.671 6.095 1.00 0.00 H new ATOM 0 HA LEU A 20 8.327 8.977 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.277 10.412 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.285 8.661 4.698 1.00 0.00 H new ATOM 0 HG LEU A 20 5.950 10.338 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.830 9.919 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.950 10.897 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.731 9.169 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.697 8.259 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.632 7.442 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.450 8.024 7.448 1.00 0.00 H new ATOM 273 N GLU A 21 10.058 9.663 4.341 1.00 0.00 N ATOM 274 CA GLU A 21 11.178 9.211 3.524 1.00 0.00 C ATOM 275 C GLU A 21 12.350 8.777 4.399 1.00 0.00 C ATOM 276 O GLU A 21 12.892 7.684 4.233 1.00 0.00 O ATOM 277 CB GLU A 21 11.622 10.321 2.570 1.00 0.00 C ATOM 278 CG GLU A 21 10.629 10.599 1.454 1.00 0.00 C ATOM 279 CD GLU A 21 10.870 9.736 0.230 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.048 9.457 -0.077 1.00 0.00 O ATOM 281 OE2 GLU A 21 9.880 9.339 -0.419 1.00 0.00 O ATOM 0 H GLU A 21 9.602 10.510 4.002 1.00 0.00 H new ATOM 0 HA GLU A 21 10.846 8.352 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.780 11.236 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.582 10.049 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.617 10.427 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.691 11.650 1.171 1.00 0.00 H new ATOM 288 N SER A 22 12.737 9.642 5.331 1.00 0.00 N ATOM 289 CA SER A 22 13.848 9.352 6.230 1.00 0.00 C ATOM 290 C SER A 22 13.812 7.896 6.685 1.00 0.00 C ATOM 291 O SER A 22 14.845 7.228 6.747 1.00 0.00 O ATOM 292 CB SER A 22 13.804 10.279 7.445 1.00 0.00 C ATOM 293 OG SER A 22 14.029 11.627 7.068 1.00 0.00 O ATOM 0 H SER A 22 12.297 10.550 5.483 1.00 0.00 H new ATOM 0 HA SER A 22 14.777 9.522 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.835 10.193 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.558 9.970 8.169 1.00 0.00 H new ATOM 0 HG SER A 22 13.211 11.998 6.676 1.00 0.00 H new ATOM 299 N ILE A 23 12.616 7.411 7.002 1.00 0.00 N ATOM 300 CA ILE A 23 12.445 6.035 7.450 1.00 0.00 C ATOM 301 C ILE A 23 12.218 5.097 6.270 1.00 0.00 C ATOM 302 O ILE A 23 12.902 4.082 6.130 1.00 0.00 O ATOM 303 CB ILE A 23 11.263 5.905 8.429 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.477 6.811 9.644 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.092 4.457 8.864 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.203 7.118 10.400 1.00 0.00 C ATOM 0 H ILE A 23 11.752 7.951 6.957 1.00 0.00 H new ATOM 0 HA ILE A 23 13.365 5.754 7.963 1.00 0.00 H new ATOM 0 HB ILE A 23 10.352 6.221 7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.186 6.335 10.321 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.929 7.747 9.315 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.253 4.382 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.899 3.835 7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.001 4.116 9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.430 7.764 11.248 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.499 7.622 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.761 6.189 10.760 1.00 0.00 H new ATOM 318 N TYR A 24 11.256 5.443 5.422 1.00 0.00 N ATOM 319 CA TYR A 24 10.939 4.631 4.253 1.00 0.00 C ATOM 320 C TYR A 24 11.694 5.127 3.024 1.00 0.00 C ATOM 321 O TYR A 24 11.128 5.240 1.936 1.00 0.00 O ATOM 322 CB TYR A 24 9.433 4.654 3.984 1.00 0.00 C ATOM 323 CG TYR A 24 8.593 4.419 5.219 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.689 3.231 5.933 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.704 5.386 5.672 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.923 3.012 7.061 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.935 5.176 6.801 1.00 0.00 C ATOM 328 CZ TYR A 24 7.048 3.987 7.491 1.00 0.00 C ATOM 329 OH TYR A 24 6.284 3.774 8.616 1.00 0.00 O ATOM 0 H TYR A 24 10.682 6.280 5.522 1.00 0.00 H new ATOM 0 HA TYR A 24 11.250 3.607 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.165 5.617 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.193 3.893 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.374 2.466 5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.612 6.317 5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.009 2.082 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.250 5.938 7.141 1.00 0.00 H new ATOM 0 HH TYR A 24 6.246 4.597 9.146 1.00 0.00 H new ATOM 339 N LEU A 25 12.977 5.420 3.206 1.00 0.00 N ATOM 340 CA LEU A 25 13.814 5.903 2.112 1.00 0.00 C ATOM 341 C LEU A 25 13.565 5.100 0.840 1.00 0.00 C ATOM 342 O LEU A 25 12.922 5.580 -0.094 1.00 0.00 O ATOM 343 CB LEU A 25 15.291 5.822 2.500 1.00 0.00 C ATOM 344 CG LEU A 25 15.791 6.895 3.468 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.079 6.448 4.141 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.998 8.215 2.740 1.00 0.00 C ATOM 0 H LEU A 25 13.460 5.332 4.100 1.00 0.00 H new ATOM 0 HA LEU A 25 13.552 6.943 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.476 4.845 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.888 5.875 1.590 1.00 0.00 H new ATOM 0 HG LEU A 25 15.035 7.043 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.420 7.224 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.899 5.527 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.843 6.272 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.354 8.967 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.735 8.082 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.054 8.543 2.306 1.00 0.00 H new ATOM 358 N ASP A 26 14.076 3.874 0.812 1.00 0.00 N ATOM 359 CA ASP A 26 13.906 3.001 -0.344 1.00 0.00 C ATOM 360 C ASP A 26 12.548 2.308 -0.307 1.00 0.00 C ATOM 361 O ASP A 26 11.877 2.181 -1.331 1.00 0.00 O ATOM 362 CB ASP A 26 15.024 1.958 -0.391 1.00 0.00 C ATOM 363 CG ASP A 26 15.187 1.345 -1.768 1.00 0.00 C ATOM 364 OD1 ASP A 26 14.173 0.890 -2.339 1.00 0.00 O ATOM 365 OD2 ASP A 26 16.327 1.322 -2.276 1.00 0.00 O ATOM 0 H ASP A 26 14.611 3.462 1.576 1.00 0.00 H new ATOM 0 HA ASP A 26 13.955 3.616 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.963 2.422 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.812 1.170 0.332 1.00 0.00 H new ATOM 370 N GLU A 27 12.150 1.859 0.879 1.00 0.00 N ATOM 371 CA GLU A 27 10.873 1.177 1.048 1.00 0.00 C ATOM 372 C GLU A 27 9.766 1.898 0.285 1.00 0.00 C ATOM 373 O GLU A 27 9.246 1.386 -0.708 1.00 0.00 O ATOM 374 CB GLU A 27 10.510 1.087 2.532 1.00 0.00 C ATOM 375 CG GLU A 27 11.513 0.300 3.358 1.00 0.00 C ATOM 376 CD GLU A 27 12.751 1.107 3.697 1.00 0.00 C ATOM 377 OE1 GLU A 27 12.673 1.956 4.609 1.00 0.00 O ATOM 378 OE2 GLU A 27 13.797 0.891 3.050 1.00 0.00 O ATOM 0 H GLU A 27 12.694 1.955 1.737 1.00 0.00 H new ATOM 0 HA GLU A 27 10.972 0.170 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.428 2.095 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.528 0.623 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.037 -0.033 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.806 -0.595 2.810 1.00 0.00 H new ATOM 385 N LEU A 28 9.409 3.088 0.756 1.00 0.00 N ATOM 386 CA LEU A 28 8.363 3.880 0.119 1.00 0.00 C ATOM 387 C LEU A 28 8.965 5.017 -0.702 1.00 0.00 C ATOM 388 O LEU A 28 9.992 5.584 -0.333 1.00 0.00 O ATOM 389 CB LEU A 28 7.411 4.446 1.174 1.00 0.00 C ATOM 390 CG LEU A 28 6.461 5.547 0.699 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.203 5.571 1.553 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.156 6.900 0.732 1.00 0.00 C ATOM 0 H LEU A 28 9.828 3.525 1.577 1.00 0.00 H new ATOM 0 HA LEU A 28 7.805 3.227 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.814 3.626 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.006 4.838 1.999 1.00 0.00 H new ATOM 0 HG LEU A 28 6.172 5.334 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.539 6.360 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.695 4.610 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.472 5.760 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.466 7.672 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.473 7.121 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.027 6.877 0.078 1.00 0.00 H new ATOM 404 N GLN A 29 8.315 5.345 -1.814 1.00 0.00 N ATOM 405 CA GLN A 29 8.786 6.415 -2.686 1.00 0.00 C ATOM 406 C GLN A 29 7.659 7.391 -3.006 1.00 0.00 C ATOM 407 O GLN A 29 6.481 7.040 -2.937 1.00 0.00 O ATOM 408 CB GLN A 29 9.357 5.833 -3.980 1.00 0.00 C ATOM 409 CG GLN A 29 10.710 5.165 -3.802 1.00 0.00 C ATOM 410 CD GLN A 29 10.593 3.695 -3.448 1.00 0.00 C ATOM 411 OE1 GLN A 29 9.898 3.326 -2.502 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.275 2.847 -4.209 1.00 0.00 N ATOM 0 H GLN A 29 7.462 4.886 -2.132 1.00 0.00 H new ATOM 0 HA GLN A 29 9.573 6.957 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.652 5.106 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.449 6.630 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.286 5.269 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.265 5.680 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.839 3.197 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.235 1.846 -4.019 1.00 0.00 H new ATOM 421 N VAL A 30 8.028 8.619 -3.358 1.00 0.00 N ATOM 422 CA VAL A 30 7.048 9.646 -3.690 1.00 0.00 C ATOM 423 C VAL A 30 7.481 10.443 -4.915 1.00 0.00 C ATOM 424 O VAL A 30 8.674 10.608 -5.170 1.00 0.00 O ATOM 425 CB VAL A 30 6.828 10.614 -2.513 1.00 0.00 C ATOM 426 CG1 VAL A 30 8.117 11.351 -2.180 1.00 0.00 C ATOM 427 CG2 VAL A 30 5.710 11.595 -2.831 1.00 0.00 C ATOM 0 H VAL A 30 8.999 8.926 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 30 6.112 9.131 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 30 6.533 10.034 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.942 12.031 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.888 10.631 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.446 11.921 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.569 12.271 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.973 12.171 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.786 11.047 -3.015 1.00 0.00 H new ATOM 437 N ILE A 31 6.504 10.935 -5.670 1.00 0.00 N ATOM 438 CA ILE A 31 6.785 11.716 -6.868 1.00 0.00 C ATOM 439 C ILE A 31 6.688 13.211 -6.584 1.00 0.00 C ATOM 440 O ILE A 31 5.595 13.779 -6.550 1.00 0.00 O ATOM 441 CB ILE A 31 5.819 11.358 -8.013 1.00 0.00 C ATOM 442 CG1 ILE A 31 5.802 9.846 -8.241 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.216 12.087 -9.288 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.134 9.287 -8.690 1.00 0.00 C ATOM 0 H ILE A 31 5.511 10.806 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 31 7.803 11.472 -7.173 1.00 0.00 H new ATOM 0 HB ILE A 31 4.814 11.676 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.502 9.351 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.046 9.608 -8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.524 11.824 -10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.181 13.163 -9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.227 11.797 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.047 8.210 -8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.427 9.755 -9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.889 9.493 -7.932 1.00 0.00 H new ATOM 456 N LYS A 32 7.837 13.846 -6.382 1.00 0.00 N ATOM 457 CA LYS A 32 7.884 15.276 -6.105 1.00 0.00 C ATOM 458 C LYS A 32 7.050 16.055 -7.117 1.00 0.00 C ATOM 459 O LYS A 32 7.389 16.116 -8.298 1.00 0.00 O ATOM 460 CB LYS A 32 9.331 15.775 -6.129 1.00 0.00 C ATOM 461 CG LYS A 32 10.021 15.705 -4.778 1.00 0.00 C ATOM 462 CD LYS A 32 9.743 16.945 -3.945 1.00 0.00 C ATOM 463 CE LYS A 32 9.882 16.660 -2.457 1.00 0.00 C ATOM 464 NZ LYS A 32 9.250 17.722 -1.627 1.00 0.00 N ATOM 0 H LYS A 32 8.750 13.392 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 32 7.466 15.441 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.898 15.184 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.345 16.806 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.681 14.820 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.096 15.596 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.433 17.739 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.737 17.307 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.423 15.698 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.938 16.579 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.366 17.491 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.705 18.636 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.237 17.783 -1.853 1.00 0.00 H new ATOM 478 N GLY A 33 5.958 16.649 -6.646 1.00 0.00 N ATOM 479 CA GLY A 33 5.094 17.417 -7.524 1.00 0.00 C ATOM 480 C GLY A 33 5.823 18.563 -8.198 1.00 0.00 C ATOM 481 O GLY A 33 6.183 19.545 -7.550 1.00 0.00 O ATOM 0 H GLY A 33 5.656 16.612 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.677 16.758 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.256 17.811 -6.950 1.00 0.00 H new ATOM 485 N ASN A 34 6.042 18.437 -9.502 1.00 0.00 N ATOM 486 CA ASN A 34 6.735 19.469 -10.264 1.00 0.00 C ATOM 487 C ASN A 34 6.346 20.861 -9.774 1.00 0.00 C ATOM 488 O ASN A 34 7.204 21.669 -9.424 1.00 0.00 O ATOM 489 CB ASN A 34 6.415 19.334 -11.754 1.00 0.00 C ATOM 490 CG ASN A 34 7.045 18.100 -12.371 1.00 0.00 C ATOM 491 OD1 ASN A 34 6.385 17.075 -12.547 1.00 0.00 O ATOM 492 ND2 ASN A 34 8.327 18.193 -12.702 1.00 0.00 N ATOM 0 H ASN A 34 5.750 17.630 -10.054 1.00 0.00 H new ATOM 0 HA ASN A 34 7.807 19.337 -10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.334 19.293 -11.888 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.768 20.221 -12.280 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.805 17.395 -13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.834 19.063 -12.538 1.00 0.00 H new ATOM 499 N GLY A 35 5.044 21.132 -9.750 1.00 0.00 N ATOM 500 CA GLY A 35 4.564 22.425 -9.301 1.00 0.00 C ATOM 501 C GLY A 35 3.368 22.310 -8.376 1.00 0.00 C ATOM 502 O GLY A 35 3.449 21.677 -7.323 1.00 0.00 O ATOM 0 H GLY A 35 4.314 20.479 -10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.369 22.949 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.293 23.029 -10.167 1.00 0.00 H new ATOM 506 N ARG A 36 2.257 22.925 -8.768 1.00 0.00 N ATOM 507 CA ARG A 36 1.041 22.891 -7.965 1.00 0.00 C ATOM 508 C ARG A 36 -0.134 22.357 -8.779 1.00 0.00 C ATOM 509 O ARG A 36 0.026 21.963 -9.935 1.00 0.00 O ATOM 510 CB ARG A 36 0.715 24.288 -7.435 1.00 0.00 C ATOM 511 CG ARG A 36 1.349 24.592 -6.087 1.00 0.00 C ATOM 512 CD ARG A 36 0.643 23.855 -4.960 1.00 0.00 C ATOM 513 NE ARG A 36 -0.630 24.481 -4.611 1.00 0.00 N ATOM 514 CZ ARG A 36 -1.606 23.850 -3.967 1.00 0.00 C ATOM 515 NH1 ARG A 36 -1.456 22.584 -3.604 1.00 0.00 N ATOM 516 NH2 ARG A 36 -2.735 24.487 -3.684 1.00 0.00 N ATOM 0 H ARG A 36 2.174 23.453 -9.637 1.00 0.00 H new ATOM 0 HA ARG A 36 1.211 22.221 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.050 25.030 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.367 24.392 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.401 24.308 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.312 25.665 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.469 22.820 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.288 23.831 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.778 25.455 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.589 22.091 -3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.207 22.103 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.854 25.461 -3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.484 24.002 -3.190 1.00 0.00 H new ATOM 530 N THR A 37 -1.314 22.346 -8.168 1.00 0.00 N ATOM 531 CA THR A 37 -2.516 21.860 -8.835 1.00 0.00 C ATOM 532 C THR A 37 -2.318 20.441 -9.357 1.00 0.00 C ATOM 533 O THR A 37 -2.831 20.082 -10.417 1.00 0.00 O ATOM 534 CB THR A 37 -2.917 22.774 -10.008 1.00 0.00 C ATOM 535 OG1 THR A 37 -2.600 24.136 -9.698 1.00 0.00 O ATOM 536 CG2 THR A 37 -4.403 22.650 -10.307 1.00 0.00 C ATOM 0 H THR A 37 -1.463 22.668 -7.212 1.00 0.00 H new ATOM 0 HA THR A 37 -3.314 21.864 -8.092 1.00 0.00 H new ATOM 0 HB THR A 37 -2.358 22.463 -10.890 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.856 24.711 -10.449 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.663 23.305 -11.139 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.636 21.618 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.977 22.938 -9.426 1.00 0.00 H new ATOM 544 N SER A 38 -1.572 19.637 -8.605 1.00 0.00 N ATOM 545 CA SER A 38 -1.305 18.258 -8.994 1.00 0.00 C ATOM 546 C SER A 38 -1.211 17.356 -7.767 1.00 0.00 C ATOM 547 O SER A 38 -0.495 17.642 -6.808 1.00 0.00 O ATOM 548 CB SER A 38 -0.008 18.175 -9.801 1.00 0.00 C ATOM 549 OG SER A 38 1.104 18.582 -9.023 1.00 0.00 O ATOM 0 H SER A 38 -1.142 19.917 -7.723 1.00 0.00 H new ATOM 0 HA SER A 38 -2.133 17.915 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.142 17.153 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.086 18.805 -10.687 1.00 0.00 H new ATOM 0 HG SER A 38 1.921 18.518 -9.561 1.00 0.00 H new ATOM 555 N PRO A 39 -1.954 16.239 -7.796 1.00 0.00 N ATOM 556 CA PRO A 39 -1.972 15.271 -6.695 1.00 0.00 C ATOM 557 C PRO A 39 -0.656 14.511 -6.570 1.00 0.00 C ATOM 558 O PRO A 39 -0.080 14.081 -7.569 1.00 0.00 O ATOM 559 CB PRO A 39 -3.106 14.318 -7.080 1.00 0.00 C ATOM 560 CG PRO A 39 -3.197 14.417 -8.564 1.00 0.00 C ATOM 561 CD PRO A 39 -2.831 15.834 -8.907 1.00 0.00 C ATOM 0 HA PRO A 39 -2.113 15.755 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.890 13.297 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.044 14.607 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.519 13.712 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.203 14.179 -8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.318 15.895 -9.867 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.713 16.471 -8.976 1.00 0.00 H new ATOM 569 N TRP A 40 -0.188 14.349 -5.338 1.00 0.00 N ATOM 570 CA TRP A 40 1.061 13.639 -5.083 1.00 0.00 C ATOM 571 C TRP A 40 0.872 12.134 -5.232 1.00 0.00 C ATOM 572 O TRP A 40 -0.219 11.612 -5.004 1.00 0.00 O ATOM 573 CB TRP A 40 1.579 13.964 -3.680 1.00 0.00 C ATOM 574 CG TRP A 40 2.174 15.335 -3.570 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.715 16.478 -4.160 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.340 15.706 -2.826 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.525 17.537 -3.827 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.529 17.090 -3.009 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.242 15.004 -2.022 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.582 17.782 -2.418 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.287 15.692 -1.436 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.450 17.069 -1.635 1.00 0.00 C ATOM 0 H TRP A 40 -0.653 14.699 -4.501 1.00 0.00 H new ATOM 0 HA TRP A 40 1.794 13.969 -5.819 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.759 13.873 -2.968 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.330 13.226 -3.398 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.844 16.540 -4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.399 18.500 -4.138 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.124 13.942 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.710 18.843 -2.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.990 15.159 -0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.276 17.578 -1.162 1.00 0.00 H new ATOM 593 N GLU A 41 1.941 11.442 -5.615 1.00 0.00 N ATOM 594 CA GLU A 41 1.890 9.996 -5.795 1.00 0.00 C ATOM 595 C GLU A 41 2.955 9.305 -4.949 1.00 0.00 C ATOM 596 O GLU A 41 4.133 9.661 -5.003 1.00 0.00 O ATOM 597 CB GLU A 41 2.081 9.636 -7.270 1.00 0.00 C ATOM 598 CG GLU A 41 1.364 8.362 -7.683 1.00 0.00 C ATOM 599 CD GLU A 41 -0.109 8.589 -7.967 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.423 9.400 -8.862 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.947 7.953 -7.293 1.00 0.00 O ATOM 0 H GLU A 41 2.852 11.859 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 41 0.910 9.649 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.722 10.461 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.146 9.526 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.843 7.952 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.468 7.618 -6.893 1.00 0.00 H new ATOM 608 N ILE A 42 2.532 8.317 -4.168 1.00 0.00 N ATOM 609 CA ILE A 42 3.449 7.576 -3.311 1.00 0.00 C ATOM 610 C ILE A 42 3.304 6.072 -3.521 1.00 0.00 C ATOM 611 O ILE A 42 2.192 5.547 -3.575 1.00 0.00 O ATOM 612 CB ILE A 42 3.216 7.899 -1.823 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.689 9.320 -1.508 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.933 6.888 -0.942 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.911 9.982 -0.392 1.00 0.00 C ATOM 0 H ILE A 42 1.561 8.011 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 42 4.457 7.884 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 42 2.148 7.837 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.744 9.291 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.607 9.929 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.758 7.130 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.553 5.888 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.003 6.920 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.300 10.986 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.858 10.043 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.013 9.395 0.521 1.00 0.00 H new ATOM 627 N TYR A 43 4.435 5.385 -3.636 1.00 0.00 N ATOM 628 CA TYR A 43 4.435 3.941 -3.841 1.00 0.00 C ATOM 629 C TYR A 43 5.130 3.227 -2.686 1.00 0.00 C ATOM 630 O TYR A 43 5.898 3.834 -1.939 1.00 0.00 O ATOM 631 CB TYR A 43 5.125 3.592 -5.160 1.00 0.00 C ATOM 632 CG TYR A 43 4.728 4.493 -6.308 1.00 0.00 C ATOM 633 CD1 TYR A 43 5.421 5.669 -6.566 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.661 4.166 -7.136 1.00 0.00 C ATOM 635 CE1 TYR A 43 5.061 6.495 -7.613 1.00 0.00 C ATOM 636 CE2 TYR A 43 3.295 4.986 -8.186 1.00 0.00 C ATOM 637 CZ TYR A 43 3.998 6.149 -8.420 1.00 0.00 C ATOM 638 OH TYR A 43 3.637 6.969 -9.465 1.00 0.00 O ATOM 0 H TYR A 43 5.364 5.805 -3.591 1.00 0.00 H new ATOM 0 HA TYR A 43 3.399 3.605 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.205 3.648 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.890 2.560 -5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.256 5.942 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.109 3.256 -6.956 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.609 7.407 -7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.463 4.718 -8.820 1.00 0.00 H new ATOM 0 HH TYR A 43 2.822 6.623 -9.886 1.00 0.00 H new ATOM 648 N ILE A 44 4.855 1.935 -2.547 1.00 0.00 N ATOM 649 CA ILE A 44 5.455 1.137 -1.485 1.00 0.00 C ATOM 650 C ILE A 44 5.149 -0.346 -1.671 1.00 0.00 C ATOM 651 O ILE A 44 4.099 -0.713 -2.201 1.00 0.00 O ATOM 652 CB ILE A 44 4.958 1.582 -0.097 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.740 0.863 1.004 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.467 1.313 0.043 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.667 1.555 2.348 1.00 0.00 C ATOM 0 H ILE A 44 4.221 1.418 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 44 6.532 1.293 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 44 5.125 2.654 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.357 -0.153 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.784 0.781 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.131 1.633 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.924 1.867 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.277 0.246 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.244 0.990 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.077 2.561 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.628 1.613 2.671 1.00 0.00 H new ATOM 667 N THR A 45 6.071 -1.195 -1.229 1.00 0.00 N ATOM 668 CA THR A 45 5.900 -2.638 -1.346 1.00 0.00 C ATOM 669 C THR A 45 5.650 -3.274 0.017 1.00 0.00 C ATOM 670 O THR A 45 6.324 -2.951 0.997 1.00 0.00 O ATOM 671 CB THR A 45 7.132 -3.299 -1.991 1.00 0.00 C ATOM 672 OG1 THR A 45 7.407 -2.692 -3.258 1.00 0.00 O ATOM 673 CG2 THR A 45 6.910 -4.793 -2.176 1.00 0.00 C ATOM 0 H THR A 45 6.944 -0.908 -0.787 1.00 0.00 H new ATOM 0 HA THR A 45 5.033 -2.803 -1.985 1.00 0.00 H new ATOM 0 HB THR A 45 7.984 -3.154 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.193 -3.117 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.794 -5.238 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.730 -5.257 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.047 -4.955 -2.821 1.00 0.00 H new ATOM 681 N LEU A 46 4.680 -4.179 0.073 1.00 0.00 N ATOM 682 CA LEU A 46 4.342 -4.863 1.317 1.00 0.00 C ATOM 683 C LEU A 46 4.066 -6.342 1.068 1.00 0.00 C ATOM 684 O LEU A 46 3.548 -6.719 0.016 1.00 0.00 O ATOM 685 CB LEU A 46 3.123 -4.207 1.967 1.00 0.00 C ATOM 686 CG LEU A 46 3.304 -2.759 2.425 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.964 -2.040 2.466 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.978 -2.712 3.789 1.00 0.00 C ATOM 0 H LEU A 46 4.113 -4.457 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 46 5.194 -4.781 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.296 -4.242 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.830 -4.806 2.829 1.00 0.00 H new ATOM 0 HG LEU A 46 3.945 -2.248 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.113 -1.011 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.519 -2.043 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.299 -2.550 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.099 -1.674 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.362 -3.239 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.956 -3.189 3.728 1.00 0.00 H new ATOM 700 N HIS A 47 4.412 -7.176 2.044 1.00 0.00 N ATOM 701 CA HIS A 47 4.199 -8.614 1.932 1.00 0.00 C ATOM 702 C HIS A 47 3.602 -9.177 3.218 1.00 0.00 C ATOM 703 O HIS A 47 3.975 -8.789 4.326 1.00 0.00 O ATOM 704 CB HIS A 47 5.516 -9.323 1.614 1.00 0.00 C ATOM 705 CG HIS A 47 6.676 -8.818 2.415 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.109 -9.422 3.576 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.497 -7.760 2.214 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.144 -8.756 4.057 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.400 -7.744 3.248 1.00 0.00 N ATOM 0 H HIS A 47 4.841 -6.880 2.921 1.00 0.00 H new ATOM 0 HA HIS A 47 3.495 -8.789 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.397 -10.391 1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.737 -9.203 0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.450 -7.059 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.688 -8.998 4.958 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.148 -7.061 3.371 1.00 0.00 H new ATOM 718 N PRO A 48 2.653 -10.112 3.071 1.00 0.00 N ATOM 719 CA PRO A 48 1.984 -10.748 4.210 1.00 0.00 C ATOM 720 C PRO A 48 2.914 -11.674 4.986 1.00 0.00 C ATOM 721 O PRO A 48 3.507 -12.591 4.418 1.00 0.00 O ATOM 722 CB PRO A 48 0.855 -11.549 3.557 1.00 0.00 C ATOM 723 CG PRO A 48 1.332 -11.816 2.172 1.00 0.00 C ATOM 724 CD PRO A 48 2.159 -10.623 1.781 1.00 0.00 C ATOM 0 HA PRO A 48 1.639 -10.016 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.665 -12.477 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.078 -10.986 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.924 -12.731 2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.493 -11.950 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.979 -10.902 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.564 -9.877 1.255 1.00 0.00 H new ATOM 732 N ALA A 49 3.037 -11.429 6.286 1.00 0.00 N ATOM 733 CA ALA A 49 3.894 -12.243 7.140 1.00 0.00 C ATOM 734 C ALA A 49 3.101 -13.364 7.803 1.00 0.00 C ATOM 735 O ALA A 49 3.358 -13.724 8.952 1.00 0.00 O ATOM 736 CB ALA A 49 4.567 -11.375 8.193 1.00 0.00 C ATOM 0 H ALA A 49 2.554 -10.673 6.771 1.00 0.00 H new ATOM 0 HA ALA A 49 4.663 -12.698 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.204 -11.996 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.173 -10.613 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.807 -10.893 8.808 1.00 0.00 H new ATOM 742 N THR A 50 2.136 -13.913 7.072 1.00 0.00 N ATOM 743 CA THR A 50 1.305 -14.992 7.591 1.00 0.00 C ATOM 744 C THR A 50 1.529 -16.282 6.810 1.00 0.00 C ATOM 745 O THR A 50 1.159 -17.365 7.263 1.00 0.00 O ATOM 746 CB THR A 50 -0.191 -14.625 7.536 1.00 0.00 C ATOM 747 OG1 THR A 50 -0.967 -15.635 8.189 1.00 0.00 O ATOM 748 CG2 THR A 50 -0.658 -14.472 6.096 1.00 0.00 C ATOM 0 H THR A 50 1.911 -13.628 6.119 1.00 0.00 H new ATOM 0 HA THR A 50 1.596 -15.144 8.630 1.00 0.00 H new ATOM 0 HB THR A 50 -0.328 -13.673 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.485 -16.488 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.717 -14.213 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.085 -13.683 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.507 -15.411 5.563 1.00 0.00 H new ATOM 756 N ALA A 51 2.137 -16.159 5.635 1.00 0.00 N ATOM 757 CA ALA A 51 2.413 -17.316 4.793 1.00 0.00 C ATOM 758 C ALA A 51 3.808 -17.871 5.062 1.00 0.00 C ATOM 759 O ALA A 51 4.793 -17.399 4.496 1.00 0.00 O ATOM 760 CB ALA A 51 2.264 -16.948 3.324 1.00 0.00 C ATOM 0 H ALA A 51 2.448 -15.269 5.245 1.00 0.00 H new ATOM 0 HA ALA A 51 1.688 -18.092 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.473 -17.822 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.246 -16.606 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.966 -16.152 3.075 1.00 0.00 H new ATOM 766 N GLU A 52 3.883 -18.875 5.930 1.00 0.00 N ATOM 767 CA GLU A 52 5.158 -19.493 6.275 1.00 0.00 C ATOM 768 C GLU A 52 5.294 -20.863 5.618 1.00 0.00 C ATOM 769 O GLU A 52 6.279 -21.140 4.933 1.00 0.00 O ATOM 770 CB GLU A 52 5.291 -19.627 7.794 1.00 0.00 C ATOM 771 CG GLU A 52 5.197 -18.303 8.532 1.00 0.00 C ATOM 772 CD GLU A 52 5.236 -18.471 10.039 1.00 0.00 C ATOM 773 OE1 GLU A 52 6.323 -18.778 10.573 1.00 0.00 O ATOM 774 OE2 GLU A 52 4.181 -18.296 10.684 1.00 0.00 O ATOM 0 H GLU A 52 3.076 -19.278 6.407 1.00 0.00 H new ATOM 0 HA GLU A 52 5.956 -18.851 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.511 -20.294 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.247 -20.096 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.019 -17.659 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.273 -17.799 8.250 1.00 0.00 H new ATOM 781 N ASP A 53 4.299 -21.717 5.833 1.00 0.00 N ATOM 782 CA ASP A 53 4.307 -23.059 5.263 1.00 0.00 C ATOM 783 C ASP A 53 3.133 -23.249 4.306 1.00 0.00 C ATOM 784 O ASP A 53 1.997 -23.449 4.736 1.00 0.00 O ATOM 785 CB ASP A 53 4.251 -24.109 6.373 1.00 0.00 C ATOM 786 CG ASP A 53 4.886 -25.422 5.960 1.00 0.00 C ATOM 787 OD1 ASP A 53 4.173 -26.270 5.384 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.095 -25.603 6.215 1.00 0.00 O ATOM 0 H ASP A 53 3.477 -21.504 6.398 1.00 0.00 H new ATOM 0 HA ASP A 53 5.234 -23.184 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.759 -23.726 7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.212 -24.283 6.652 1.00 0.00 H new ATOM 793 N GLN A 54 3.417 -23.184 3.010 1.00 0.00 N ATOM 794 CA GLN A 54 2.384 -23.347 1.993 1.00 0.00 C ATOM 795 C GLN A 54 2.998 -23.719 0.648 1.00 0.00 C ATOM 796 O GLN A 54 4.203 -23.573 0.443 1.00 0.00 O ATOM 797 CB GLN A 54 1.565 -22.062 1.857 1.00 0.00 C ATOM 798 CG GLN A 54 0.538 -21.875 2.961 1.00 0.00 C ATOM 799 CD GLN A 54 -0.479 -20.799 2.636 1.00 0.00 C ATOM 800 OE1 GLN A 54 -0.545 -19.768 3.307 1.00 0.00 O ATOM 801 NE2 GLN A 54 -1.279 -21.032 1.602 1.00 0.00 N ATOM 0 H GLN A 54 4.353 -23.020 2.639 1.00 0.00 H new ATOM 0 HA GLN A 54 1.725 -24.157 2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.242 -21.208 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.054 -22.067 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.020 -22.818 3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.050 -21.618 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.190 -21.900 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.983 -20.343 1.336 1.00 0.00 H new ATOM 810 N ASP A 55 2.162 -24.199 -0.266 1.00 0.00 N ATOM 811 CA ASP A 55 2.623 -24.591 -1.593 1.00 0.00 C ATOM 812 C ASP A 55 3.378 -23.448 -2.265 1.00 0.00 C ATOM 813 O ASP A 55 4.434 -23.656 -2.862 1.00 0.00 O ATOM 814 CB ASP A 55 1.439 -25.017 -2.462 1.00 0.00 C ATOM 815 CG ASP A 55 1.877 -25.621 -3.782 1.00 0.00 C ATOM 816 OD1 ASP A 55 2.876 -25.137 -4.354 1.00 0.00 O ATOM 817 OD2 ASP A 55 1.221 -26.578 -4.243 1.00 0.00 O ATOM 0 H ASP A 55 1.162 -24.326 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 55 3.303 -25.435 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.834 -25.742 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.804 -24.152 -2.654 1.00 0.00 H new ATOM 822 N SER A 56 2.828 -22.242 -2.165 1.00 0.00 N ATOM 823 CA SER A 56 3.447 -21.067 -2.767 1.00 0.00 C ATOM 824 C SER A 56 3.570 -19.936 -1.751 1.00 0.00 C ATOM 825 O SER A 56 2.577 -19.311 -1.380 1.00 0.00 O ATOM 826 CB SER A 56 2.632 -20.597 -3.974 1.00 0.00 C ATOM 827 OG SER A 56 2.418 -21.658 -4.889 1.00 0.00 O ATOM 0 H SER A 56 1.955 -22.053 -1.673 1.00 0.00 H new ATOM 0 HA SER A 56 4.448 -21.344 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.673 -20.203 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.154 -19.781 -4.474 1.00 0.00 H new ATOM 0 HG SER A 56 1.894 -21.333 -5.650 1.00 0.00 H new ATOM 833 N GLN A 57 4.796 -19.681 -1.304 1.00 0.00 N ATOM 834 CA GLN A 57 5.049 -18.626 -0.330 1.00 0.00 C ATOM 835 C GLN A 57 5.359 -17.305 -1.026 1.00 0.00 C ATOM 836 O GLN A 57 6.068 -16.458 -0.483 1.00 0.00 O ATOM 837 CB GLN A 57 6.209 -19.018 0.587 1.00 0.00 C ATOM 838 CG GLN A 57 7.540 -19.146 -0.136 1.00 0.00 C ATOM 839 CD GLN A 57 8.295 -17.833 -0.205 1.00 0.00 C ATOM 840 OE1 GLN A 57 8.697 -17.390 -1.281 1.00 0.00 O ATOM 841 NE2 GLN A 57 8.492 -17.202 0.947 1.00 0.00 N ATOM 0 H GLN A 57 5.629 -20.190 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 57 4.148 -18.496 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.304 -18.273 1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.975 -19.967 1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.155 -19.888 0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.366 -19.514 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.141 -17.605 1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.994 -16.314 0.963 1.00 0.00 H new ATOM 850 N TYR A 58 4.824 -17.137 -2.230 1.00 0.00 N ATOM 851 CA TYR A 58 5.046 -15.920 -3.001 1.00 0.00 C ATOM 852 C TYR A 58 3.775 -15.079 -3.070 1.00 0.00 C ATOM 853 O TYR A 58 2.724 -15.554 -3.499 1.00 0.00 O ATOM 854 CB TYR A 58 5.518 -16.266 -4.414 1.00 0.00 C ATOM 855 CG TYR A 58 5.657 -15.062 -5.319 1.00 0.00 C ATOM 856 CD1 TYR A 58 4.541 -14.334 -5.715 1.00 0.00 C ATOM 857 CD2 TYR A 58 6.903 -14.652 -5.776 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.663 -13.234 -6.541 1.00 0.00 C ATOM 859 CE2 TYR A 58 7.034 -13.552 -6.601 1.00 0.00 C ATOM 860 CZ TYR A 58 5.912 -12.847 -6.982 1.00 0.00 C ATOM 861 OH TYR A 58 6.037 -11.751 -7.804 1.00 0.00 O ATOM 0 H TYR A 58 4.234 -17.828 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 58 5.819 -15.338 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.479 -16.776 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.814 -16.967 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.562 -14.634 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.784 -15.203 -5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.786 -12.680 -6.840 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.010 -13.246 -6.946 1.00 0.00 H new ATOM 0 HH TYR A 58 6.982 -11.612 -8.023 1.00 0.00 H new ATOM 871 N VAL A 59 3.880 -13.824 -2.643 1.00 0.00 N ATOM 872 CA VAL A 59 2.741 -12.914 -2.657 1.00 0.00 C ATOM 873 C VAL A 59 3.154 -11.509 -2.233 1.00 0.00 C ATOM 874 O VAL A 59 3.530 -11.282 -1.082 1.00 0.00 O ATOM 875 CB VAL A 59 1.616 -13.408 -1.727 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.187 -13.859 -0.391 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.571 -12.320 -1.531 1.00 0.00 C ATOM 0 H VAL A 59 4.742 -13.415 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 59 2.371 -12.887 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 59 1.131 -14.265 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.378 -14.204 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.894 -14.673 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.699 -13.024 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.216 -12.686 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.039 -11.442 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.140 -12.051 -2.496 1.00 0.00 H new ATOM 887 N CYS A 60 3.082 -10.570 -3.169 1.00 0.00 N ATOM 888 CA CYS A 60 3.450 -9.185 -2.893 1.00 0.00 C ATOM 889 C CYS A 60 2.686 -8.229 -3.803 1.00 0.00 C ATOM 890 O CYS A 60 2.463 -8.518 -4.979 1.00 0.00 O ATOM 891 CB CYS A 60 4.955 -8.990 -3.076 1.00 0.00 C ATOM 892 SG CYS A 60 5.971 -10.048 -2.018 1.00 0.00 S ATOM 0 H CYS A 60 2.772 -10.742 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 60 3.186 -8.963 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.211 -9.183 -4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.203 -7.948 -2.874 1.00 0.00 H new ATOM 0 HG CYS A 60 5.203 -10.728 -1.219 1.00 0.00 H new ATOM 898 N PHE A 61 2.286 -7.088 -3.251 1.00 0.00 N ATOM 899 CA PHE A 61 1.545 -6.089 -4.012 1.00 0.00 C ATOM 900 C PHE A 61 2.124 -4.695 -3.788 1.00 0.00 C ATOM 901 O PHE A 61 2.844 -4.456 -2.818 1.00 0.00 O ATOM 902 CB PHE A 61 0.067 -6.109 -3.615 1.00 0.00 C ATOM 903 CG PHE A 61 -0.243 -5.260 -2.416 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.277 -3.878 -2.518 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.502 -5.843 -1.186 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.561 -3.095 -1.416 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.788 -5.065 -0.080 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.819 -3.689 -0.196 1.00 0.00 C ATOM 0 H PHE A 61 2.463 -6.832 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 61 1.634 -6.335 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.532 -5.765 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.232 -7.137 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.079 -3.408 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.480 -6.919 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.581 -2.019 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.987 -5.532 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.045 -3.079 0.666 1.00 0.00 H new ATOM 918 N THR A 62 1.806 -3.776 -4.695 1.00 0.00 N ATOM 919 CA THR A 62 2.295 -2.406 -4.599 1.00 0.00 C ATOM 920 C THR A 62 1.192 -1.459 -4.142 1.00 0.00 C ATOM 921 O THR A 62 0.176 -1.299 -4.820 1.00 0.00 O ATOM 922 CB THR A 62 2.853 -1.914 -5.948 1.00 0.00 C ATOM 923 OG1 THR A 62 3.903 -2.781 -6.390 1.00 0.00 O ATOM 924 CG2 THR A 62 3.380 -0.492 -5.828 1.00 0.00 C ATOM 0 H THR A 62 1.212 -3.956 -5.504 1.00 0.00 H new ATOM 0 HA THR A 62 3.097 -2.407 -3.861 1.00 0.00 H new ATOM 0 HB THR A 62 2.043 -1.925 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.251 -2.462 -7.249 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.769 -0.166 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.572 0.171 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.178 -0.461 -5.086 1.00 0.00 H new ATOM 932 N LEU A 63 1.397 -0.832 -2.989 1.00 0.00 N ATOM 933 CA LEU A 63 0.420 0.101 -2.441 1.00 0.00 C ATOM 934 C LEU A 63 0.632 1.504 -3.001 1.00 0.00 C ATOM 935 O LEU A 63 1.634 2.156 -2.706 1.00 0.00 O ATOM 936 CB LEU A 63 0.512 0.130 -0.914 1.00 0.00 C ATOM 937 CG LEU A 63 -0.792 0.410 -0.168 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.617 0.166 1.323 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.259 1.835 -0.426 1.00 0.00 C ATOM 0 H LEU A 63 2.232 -0.953 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.573 -0.240 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.902 -0.830 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.241 0.889 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.555 -0.274 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.556 0.370 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.330 -0.872 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.160 0.825 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.189 2.016 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.498 2.535 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.426 1.976 -1.494 1.00 0.00 H new ATOM 951 N VAL A 64 -0.318 1.964 -3.809 1.00 0.00 N ATOM 952 CA VAL A 64 -0.237 3.291 -4.407 1.00 0.00 C ATOM 953 C VAL A 64 -1.175 4.268 -3.708 1.00 0.00 C ATOM 954 O VAL A 64 -2.385 4.044 -3.641 1.00 0.00 O ATOM 955 CB VAL A 64 -0.580 3.251 -5.908 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.516 4.648 -6.508 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.355 2.303 -6.644 1.00 0.00 C ATOM 0 H VAL A 64 -1.153 1.437 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 64 0.792 3.631 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.599 2.879 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.761 4.600 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.230 5.295 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.490 5.051 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.098 2.288 -7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.384 2.642 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.254 1.299 -6.231 1.00 0.00 H new ATOM 967 N LEU A 65 -0.611 5.353 -3.189 1.00 0.00 N ATOM 968 CA LEU A 65 -1.397 6.366 -2.495 1.00 0.00 C ATOM 969 C LEU A 65 -1.329 7.703 -3.225 1.00 0.00 C ATOM 970 O LEU A 65 -0.302 8.380 -3.205 1.00 0.00 O ATOM 971 CB LEU A 65 -0.899 6.531 -1.058 1.00 0.00 C ATOM 972 CG LEU A 65 -1.275 5.413 -0.085 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.396 5.467 1.155 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.745 5.511 0.297 1.00 0.00 C ATOM 0 H LEU A 65 0.388 5.554 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.435 6.035 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.187 6.617 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.286 7.472 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.111 4.456 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.678 4.664 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.648 5.348 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.528 6.428 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.995 4.708 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.934 6.473 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.360 5.423 -0.598 1.00 0.00 H new ATOM 986 N GLN A 66 -2.431 8.078 -3.867 1.00 0.00 N ATOM 987 CA GLN A 66 -2.496 9.335 -4.603 1.00 0.00 C ATOM 988 C GLN A 66 -3.153 10.425 -3.761 1.00 0.00 C ATOM 989 O GLN A 66 -4.379 10.529 -3.709 1.00 0.00 O ATOM 990 CB GLN A 66 -3.270 9.147 -5.909 1.00 0.00 C ATOM 991 CG GLN A 66 -2.945 10.192 -6.964 1.00 0.00 C ATOM 992 CD GLN A 66 -4.006 10.281 -8.043 1.00 0.00 C ATOM 993 OE1 GLN A 66 -4.734 11.270 -8.134 1.00 0.00 O ATOM 994 NE2 GLN A 66 -4.099 9.245 -8.869 1.00 0.00 N ATOM 0 H GLN A 66 -3.291 7.529 -3.892 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.477 9.644 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.053 8.157 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.339 9.178 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.837 11.165 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.985 9.954 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.475 8.446 -8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.794 9.249 -9.615 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.330 11.235 -3.104 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.831 12.317 -2.265 1.00 0.00 C ATOM 1005 C VAL A 67 -3.294 13.498 -3.110 1.00 0.00 C ATOM 1006 O VAL A 67 -2.509 14.135 -3.814 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.757 12.800 -1.272 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.357 13.774 -0.269 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.118 11.617 -0.561 1.00 0.00 C ATOM 0 H VAL A 67 -1.313 11.163 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.679 11.919 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.980 13.322 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.584 14.105 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.763 14.636 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.155 13.280 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.362 11.977 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.882 11.065 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.651 10.960 -1.295 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.599 13.800 -3.041 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.196 14.908 -3.793 1.00 0.00 C ATOM 1021 C PRO A 68 -4.753 16.269 -3.269 1.00 0.00 C ATOM 1022 O PRO A 68 -3.855 16.361 -2.433 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.699 14.714 -3.576 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.803 13.972 -2.288 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.592 13.084 -2.223 1.00 0.00 C ATOM 0 HA PRO A 68 -4.898 14.897 -4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.218 15.671 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.148 14.151 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.829 14.659 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.720 13.385 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.247 12.950 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.800 12.091 -2.622 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.389 17.325 -3.767 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.062 18.682 -3.347 1.00 0.00 C ATOM 1035 C ALA A 69 -5.730 19.022 -2.019 1.00 0.00 C ATOM 1036 O ALA A 69 -5.117 19.633 -1.144 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.475 19.680 -4.418 1.00 0.00 C ATOM 0 H ALA A 69 -6.134 17.266 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.983 18.742 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.225 20.689 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.947 19.458 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.550 19.609 -4.586 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.990 18.622 -1.876 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.741 18.886 -0.654 1.00 0.00 C ATOM 1045 C GLU A 70 -6.968 18.412 0.573 1.00 0.00 C ATOM 1046 O GLU A 70 -6.883 19.118 1.578 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.106 18.197 -0.708 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.092 18.873 -1.646 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.252 17.971 -2.021 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -11.000 16.863 -2.538 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -12.413 18.374 -1.796 1.00 0.00 O ATOM 0 H GLU A 70 -7.512 18.114 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.889 19.963 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.969 17.162 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.531 18.172 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.477 19.776 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.571 19.185 -2.551 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.406 17.211 0.483 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.642 16.640 1.586 1.00 0.00 C ATOM 1060 C TYR A 71 -4.987 17.737 2.420 1.00 0.00 C ATOM 1061 O TYR A 71 -4.477 18.729 1.899 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.575 15.683 1.053 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.778 14.998 2.141 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.709 15.639 2.754 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.096 13.711 2.556 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.978 15.017 3.748 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.371 13.081 3.549 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.313 13.738 4.142 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.588 13.116 5.132 1.00 0.00 O ATOM 0 H TYR A 71 -6.465 16.615 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.331 16.086 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.055 14.925 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.893 16.236 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.445 16.641 2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.924 13.194 2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.149 15.529 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.631 12.080 3.859 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.072 13.180 5.982 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.000 17.555 3.749 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.604 16.379 4.382 1.00 0.00 C ATOM 1081 C PRO A 72 -7.125 16.377 4.268 1.00 0.00 C ATOM 1082 O PRO A 72 -7.764 15.330 4.378 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.178 16.504 5.846 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.943 17.962 6.049 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.426 18.484 4.737 1.00 0.00 C ATOM 0 HA PRO A 72 -5.282 15.451 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.952 16.131 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.276 15.926 6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.864 18.470 6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.222 18.134 6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.748 19.510 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.336 18.482 4.705 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.699 17.555 4.047 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.146 17.688 3.917 1.00 0.00 C ATOM 1095 C HIS A 73 -9.753 16.435 3.296 1.00 0.00 C ATOM 1096 O HIS A 73 -10.784 15.942 3.752 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.492 18.912 3.069 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.102 20.211 3.704 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.124 21.092 3.388 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.748 20.735 4.803 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.197 22.123 4.293 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -9.186 21.884 5.136 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.185 18.431 3.954 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.566 17.816 4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.995 18.826 2.102 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.565 18.919 2.877 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.457 21.006 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.583 20.278 5.313 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.551 22.988 4.312 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.107 15.925 2.251 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.586 14.730 1.567 1.00 0.00 C ATOM 1113 C GLU A 74 -8.619 13.566 1.764 1.00 0.00 C ATOM 1114 O GLU A 74 -7.406 13.759 1.845 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.768 15.009 0.073 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.643 13.988 -0.634 1.00 0.00 C ATOM 1117 CD GLU A 74 -12.118 14.174 -0.332 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.722 15.119 -0.881 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.667 13.374 0.454 1.00 0.00 O ATOM 0 H GLU A 74 -8.252 16.321 1.861 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.549 14.457 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.206 15.999 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.789 15.030 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.484 14.062 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.338 12.985 -0.335 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.166 12.356 1.840 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.353 11.161 2.027 1.00 0.00 C ATOM 1128 C VAL A 75 -7.651 10.765 0.733 1.00 0.00 C ATOM 1129 O VAL A 75 -8.165 10.967 -0.368 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.204 9.975 2.520 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.834 10.293 3.867 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.269 9.621 1.493 1.00 0.00 C ATOM 0 H VAL A 75 -10.168 12.178 1.775 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.606 11.402 2.783 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.553 9.110 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.431 9.444 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.050 10.493 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.473 11.171 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.861 8.781 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.919 10.481 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.791 9.347 0.553 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.448 10.188 0.864 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.649 9.751 -0.285 1.00 0.00 C ATOM 1144 C PRO A 76 -6.260 8.544 -0.989 1.00 0.00 C ATOM 1145 O PRO A 76 -6.694 7.591 -0.342 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.302 9.380 0.340 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.622 9.033 1.753 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.774 9.917 2.146 1.00 0.00 C ATOM 0 HA PRO A 76 -5.580 10.523 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.843 8.539 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.598 10.211 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.889 7.980 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.762 9.202 2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.439 9.420 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.432 10.836 2.622 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.289 8.592 -2.317 1.00 0.00 N ATOM 1157 CA GLN A 77 -6.847 7.502 -3.108 1.00 0.00 C ATOM 1158 C GLN A 77 -6.039 6.222 -2.918 1.00 0.00 C ATOM 1159 O GLN A 77 -4.887 6.135 -3.343 1.00 0.00 O ATOM 1160 CB GLN A 77 -6.879 7.883 -4.589 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.038 8.794 -4.958 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.485 8.617 -6.396 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -8.397 9.543 -7.204 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -8.966 7.424 -6.725 1.00 0.00 N ATOM 0 H GLN A 77 -5.933 9.374 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.865 7.322 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.943 8.377 -4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.937 6.974 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.878 8.594 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.745 9.832 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.021 6.685 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.280 7.246 -7.679 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.651 5.232 -2.276 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.989 3.957 -2.031 1.00 0.00 C ATOM 1175 C ILE A 78 -6.238 2.979 -3.173 1.00 0.00 C ATOM 1176 O ILE A 78 -7.383 2.650 -3.484 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.464 3.321 -0.711 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.210 4.272 0.460 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.763 1.990 -0.482 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.207 4.121 1.588 1.00 0.00 C ATOM 0 H ILE A 78 -7.604 5.289 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.921 4.164 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.536 3.138 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.206 4.098 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.238 5.299 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.109 1.553 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.991 1.312 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.686 2.150 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.966 4.826 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.211 4.324 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.163 3.104 1.979 1.00 0.00 H new ATOM 1192 N SER A 79 -5.158 2.515 -3.794 1.00 0.00 N ATOM 1193 CA SER A 79 -5.260 1.574 -4.904 1.00 0.00 C ATOM 1194 C SER A 79 -4.098 0.586 -4.886 1.00 0.00 C ATOM 1195 O SER A 79 -3.070 0.830 -4.254 1.00 0.00 O ATOM 1196 CB SER A 79 -5.284 2.326 -6.236 1.00 0.00 C ATOM 1197 OG SER A 79 -6.542 2.943 -6.451 1.00 0.00 O ATOM 0 H SER A 79 -4.203 2.775 -3.548 1.00 0.00 H new ATOM 0 HA SER A 79 -6.190 1.017 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.499 3.082 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.070 1.635 -7.051 1.00 0.00 H new ATOM 0 HG SER A 79 -7.095 2.847 -5.648 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.270 -0.532 -5.585 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.236 -1.557 -5.650 1.00 0.00 C ATOM 1205 C ILE A 80 -2.892 -1.899 -7.096 1.00 0.00 C ATOM 1206 O ILE A 80 -3.779 -2.119 -7.921 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.671 -2.842 -4.921 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.979 -2.542 -3.453 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.589 -3.907 -5.033 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.599 -3.707 -2.715 1.00 0.00 C ATOM 0 H ILE A 80 -5.115 -0.750 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.355 -1.148 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.577 -3.221 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.057 -2.252 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.654 -1.688 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.911 -4.809 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.413 -4.137 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.667 -3.538 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.790 -3.422 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.538 -3.983 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.916 -4.557 -2.737 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.598 -1.942 -7.396 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.135 -2.258 -8.742 1.00 0.00 C ATOM 1224 C ARG A 81 -0.359 -3.571 -8.757 1.00 0.00 C ATOM 1225 O ARG A 81 0.313 -3.917 -7.785 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.256 -1.127 -9.280 1.00 0.00 C ATOM 1227 CG ARG A 81 -1.043 -0.002 -9.932 1.00 0.00 C ATOM 1228 CD ARG A 81 -1.817 0.806 -8.902 1.00 0.00 C ATOM 1229 NE ARG A 81 -2.010 2.191 -9.325 1.00 0.00 N ATOM 1230 CZ ARG A 81 -2.972 2.579 -10.154 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -3.825 1.691 -10.646 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -3.083 3.857 -10.492 1.00 0.00 N ATOM 0 H ARG A 81 -0.851 -1.762 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.010 -2.367 -9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.336 -0.718 -8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.445 -1.537 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.361 0.654 -10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.735 -0.418 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.788 0.341 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.283 0.788 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.371 2.899 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.743 0.708 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.563 1.991 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.429 4.543 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.822 4.154 -11.129 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.456 -4.298 -9.865 1.00 0.00 N ATOM 1247 CA ASN A 82 0.237 -5.574 -10.005 1.00 0.00 C ATOM 1248 C ASN A 82 -0.008 -6.462 -8.789 1.00 0.00 C ATOM 1249 O ASN A 82 0.923 -6.965 -8.160 1.00 0.00 O ATOM 1250 CB ASN A 82 1.738 -5.345 -10.191 1.00 0.00 C ATOM 1251 CG ASN A 82 2.484 -6.628 -10.504 1.00 0.00 C ATOM 1252 OD1 ASN A 82 1.942 -7.536 -11.134 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.734 -6.708 -10.063 1.00 0.00 N ATOM 0 H ASN A 82 -1.007 -4.026 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.158 -6.079 -10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.896 -4.630 -10.998 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.150 -4.900 -9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.285 -7.547 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.143 -5.930 -9.545 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.290 -6.661 -8.450 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.687 -7.490 -7.308 1.00 0.00 C ATOM 1262 C PRO A 83 -1.418 -8.972 -7.546 1.00 0.00 C ATOM 1263 O PRO A 83 -2.195 -9.654 -8.215 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.191 -7.232 -7.189 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.617 -6.831 -8.559 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.451 -6.092 -9.155 1.00 0.00 C ATOM 0 HA PRO A 83 -1.125 -7.240 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.720 -8.124 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.402 -6.446 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.874 -7.704 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.503 -6.197 -8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.384 -6.249 -10.232 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.532 -5.017 -8.994 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.314 -9.464 -6.995 1.00 0.00 N ATOM 1275 CA ARG A 84 0.057 -10.866 -7.148 1.00 0.00 C ATOM 1276 C ARG A 84 -0.049 -11.605 -5.818 1.00 0.00 C ATOM 1277 O ARG A 84 -0.004 -10.994 -4.751 1.00 0.00 O ATOM 1278 CB ARG A 84 1.481 -10.981 -7.695 1.00 0.00 C ATOM 1279 CG ARG A 84 1.758 -12.300 -8.399 1.00 0.00 C ATOM 1280 CD ARG A 84 2.924 -12.180 -9.368 1.00 0.00 C ATOM 1281 NE ARG A 84 2.583 -11.377 -10.539 1.00 0.00 N ATOM 1282 CZ ARG A 84 1.956 -11.861 -11.605 1.00 0.00 C ATOM 1283 NH1 ARG A 84 1.603 -13.139 -11.647 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.680 -11.067 -12.631 1.00 0.00 N ATOM 0 H ARG A 84 0.340 -8.913 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.635 -11.324 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.661 -10.162 -8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.188 -10.862 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.976 -13.070 -7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.867 -12.620 -8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.776 -11.731 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.233 -13.175 -9.688 1.00 0.00 H new ATOM 0 HE ARG A 84 2.841 -10.390 -10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.813 -13.752 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.122 -13.508 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.949 -10.084 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.198 -11.440 -13.449 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.192 -12.925 -5.890 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.303 -13.726 -4.685 1.00 0.00 C ATOM 1300 C GLY A 85 -1.689 -13.665 -4.074 1.00 0.00 C ATOM 1301 O GLY A 85 -2.233 -14.684 -3.646 1.00 0.00 O ATOM 0 H GLY A 85 -0.233 -13.454 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.057 -14.762 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.428 -13.381 -3.954 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.262 -12.467 -4.030 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.594 -12.276 -3.465 1.00 0.00 C ATOM 1307 C LEU A 86 -4.672 -12.525 -4.515 1.00 0.00 C ATOM 1308 O LEU A 86 -4.395 -12.527 -5.715 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.732 -10.860 -2.902 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.656 -10.427 -1.906 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.431 -8.925 -1.984 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.042 -10.837 -0.492 1.00 0.00 C ATOM 0 H LEU A 86 -1.826 -11.614 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.726 -12.996 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.731 -10.157 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.704 -10.777 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.724 -10.928 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.662 -8.635 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.110 -8.657 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.360 -8.405 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.265 -10.521 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.986 -10.364 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.152 -11.920 -0.445 1.00 0.00 H new ATOM 1324 N SER A 87 -5.901 -12.733 -4.056 1.00 0.00 N ATOM 1325 CA SER A 87 -7.021 -12.985 -4.955 1.00 0.00 C ATOM 1326 C SER A 87 -7.911 -11.751 -5.074 1.00 0.00 C ATOM 1327 O SER A 87 -7.881 -10.866 -4.218 1.00 0.00 O ATOM 1328 CB SER A 87 -7.844 -14.175 -4.458 1.00 0.00 C ATOM 1329 OG SER A 87 -7.173 -15.398 -4.706 1.00 0.00 O ATOM 0 H SER A 87 -6.147 -12.732 -3.066 1.00 0.00 H new ATOM 0 HA SER A 87 -6.618 -13.217 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.032 -14.070 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.815 -14.182 -4.954 1.00 0.00 H new ATOM 0 HG SER A 87 -7.719 -16.143 -4.378 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.700 -11.700 -6.141 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.600 -10.575 -6.373 1.00 0.00 C ATOM 1337 C ASP A 88 -10.294 -10.159 -5.080 1.00 0.00 C ATOM 1338 O ASP A 88 -10.287 -8.985 -4.711 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.642 -10.939 -7.431 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.104 -9.733 -8.227 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -11.399 -8.690 -7.607 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.168 -9.833 -9.470 1.00 0.00 O ATOM 0 H ASP A 88 -8.735 -12.424 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.007 -9.734 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.222 -11.680 -8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.502 -11.402 -6.946 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.892 -11.130 -4.396 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.592 -10.862 -3.145 1.00 0.00 C ATOM 1349 C GLU A 89 -10.661 -10.207 -2.129 1.00 0.00 C ATOM 1350 O GLU A 89 -10.936 -9.115 -1.634 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.164 -12.159 -2.567 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.406 -12.652 -3.291 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.079 -13.581 -4.444 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -12.290 -13.178 -5.324 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.612 -14.710 -4.467 1.00 0.00 O ATOM 0 H GLU A 89 -10.906 -12.108 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.411 -10.174 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.398 -12.934 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.404 -12.003 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.053 -13.171 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.967 -11.796 -3.667 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.558 -10.884 -1.824 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.587 -10.369 -0.867 1.00 0.00 C ATOM 1364 C GLN A 90 -8.262 -8.906 -1.154 1.00 0.00 C ATOM 1365 O GLN A 90 -8.527 -8.029 -0.332 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.306 -11.205 -0.907 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.438 -12.552 -0.217 1.00 0.00 C ATOM 1368 CD GLN A 90 -7.182 -12.471 1.275 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -8.085 -12.684 2.084 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.945 -12.162 1.648 1.00 0.00 N ATOM 0 H GLN A 90 -9.315 -11.790 -2.226 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.026 -10.437 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.019 -11.365 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.500 -10.642 -0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.439 -12.948 -0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.736 -13.256 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.227 -11.993 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.713 -12.093 2.639 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.688 -8.652 -2.325 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.329 -7.295 -2.720 1.00 0.00 C ATOM 1381 C ILE A 91 -8.405 -6.298 -2.304 1.00 0.00 C ATOM 1382 O ILE A 91 -8.149 -5.381 -1.524 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.108 -7.192 -4.240 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.993 -8.142 -4.682 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.776 -5.759 -4.631 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.153 -8.644 -6.100 1.00 0.00 C ATOM 0 H ILE A 91 -7.462 -9.367 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.397 -7.053 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.029 -7.483 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.034 -7.631 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.964 -8.995 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.622 -5.702 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.600 -5.104 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.868 -5.443 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.327 -9.312 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.096 -9.184 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.152 -7.798 -6.788 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.612 -6.485 -2.830 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.729 -5.603 -2.512 1.00 0.00 C ATOM 1400 C HIS A 92 -10.859 -5.413 -1.004 1.00 0.00 C ATOM 1401 O HIS A 92 -10.965 -4.288 -0.516 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.031 -6.169 -3.081 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.194 -5.234 -2.959 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.420 -5.619 -2.457 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.314 -3.924 -3.275 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.243 -4.586 -2.472 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.596 -3.545 -2.963 1.00 0.00 N ATOM 0 H HIS A 92 -9.841 -7.239 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.534 -4.632 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.882 -6.415 -4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.268 -7.100 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.544 -3.293 -3.695 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.270 -4.592 -2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.985 -2.611 -3.090 1.00 0.00 H new ATOM 1416 N THR A 93 -10.851 -6.522 -0.270 1.00 0.00 N ATOM 1417 CA THR A 93 -10.970 -6.478 1.182 1.00 0.00 C ATOM 1418 C THR A 93 -9.961 -5.508 1.787 1.00 0.00 C ATOM 1419 O THR A 93 -10.301 -4.709 2.661 1.00 0.00 O ATOM 1420 CB THR A 93 -10.763 -7.871 1.805 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.588 -8.833 1.140 1.00 0.00 O ATOM 1422 CG2 THR A 93 -11.092 -7.854 3.290 1.00 0.00 C ATOM 0 H THR A 93 -10.763 -7.461 -0.658 1.00 0.00 H new ATOM 0 HA THR A 93 -11.980 -6.134 1.406 1.00 0.00 H new ATOM 0 HB THR A 93 -9.715 -8.146 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.229 -9.009 0.245 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.938 -8.849 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.442 -7.142 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 93 -12.132 -7.559 3.429 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.721 -5.582 1.317 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.663 -4.709 1.812 1.00 0.00 C ATOM 1432 C ILE A 94 -8.045 -3.241 1.656 1.00 0.00 C ATOM 1433 O ILE A 94 -7.969 -2.464 2.608 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.334 -4.963 1.077 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.951 -6.442 1.166 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.232 -4.089 1.658 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.824 -6.831 0.236 1.00 0.00 C ATOM 0 H ILE A 94 -8.424 -6.237 0.594 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.533 -4.938 2.870 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.462 -4.703 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.661 -6.673 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.826 -7.050 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.299 -4.280 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.504 -3.039 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.103 -4.321 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.606 -7.893 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.118 -6.632 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.935 -6.249 0.479 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.458 -2.868 0.449 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.854 -1.492 0.168 1.00 0.00 C ATOM 1451 C LEU A 95 -9.885 -1.005 1.180 1.00 0.00 C ATOM 1452 O LEU A 95 -9.840 0.143 1.622 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.422 -1.384 -1.248 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.460 -1.730 -2.386 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.197 -1.764 -3.716 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.313 -0.732 -2.435 1.00 0.00 C ATOM 0 H LEU A 95 -8.527 -3.498 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.969 -0.861 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.290 -2.040 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.779 -0.365 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.046 -2.721 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.497 -2.012 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.984 -2.517 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.639 -0.787 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.638 -0.993 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.709 0.270 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.768 -0.757 -1.491 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.811 -1.886 1.545 1.00 0.00 N ATOM 1469 CA GLN A 96 -11.853 -1.544 2.507 1.00 0.00 C ATOM 1470 C GLN A 96 -11.245 -1.009 3.799 1.00 0.00 C ATOM 1471 O GLN A 96 -11.404 0.166 4.132 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.721 -2.768 2.806 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.403 -3.345 1.576 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.648 -2.575 1.184 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.748 -1.371 1.421 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -15.607 -3.267 0.579 1.00 0.00 N ATOM 0 H GLN A 96 -10.861 -2.841 1.190 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.476 -0.764 2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -12.101 -3.539 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.481 -2.494 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.701 -3.343 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -13.669 -4.385 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -15.482 -4.264 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -16.468 -2.802 0.291 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.549 -1.878 4.525 1.00 0.00 N ATOM 1486 CA VAL A 97 -9.917 -1.493 5.781 1.00 0.00 C ATOM 1487 C VAL A 97 -9.182 -0.164 5.641 1.00 0.00 C ATOM 1488 O VAL A 97 -9.584 0.844 6.223 1.00 0.00 O ATOM 1489 CB VAL A 97 -8.925 -2.568 6.263 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.249 -2.130 7.554 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.633 -3.901 6.448 1.00 0.00 C ATOM 0 H VAL A 97 -10.409 -2.854 4.264 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.714 -1.389 6.518 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.155 -2.694 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.552 -2.902 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.707 -1.200 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.004 -1.974 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.917 -4.649 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.425 -3.793 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.065 -4.218 5.499 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.104 -0.170 4.866 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.311 1.035 4.648 1.00 0.00 C ATOM 1503 C LEU A 98 -8.212 2.244 4.416 1.00 0.00 C ATOM 1504 O LEU A 98 -7.994 3.312 4.987 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.375 0.845 3.453 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.268 -0.195 3.627 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.497 -0.375 2.328 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.330 0.208 4.755 1.00 0.00 C ATOM 0 H LEU A 98 -7.758 -0.996 4.378 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.715 1.215 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.976 0.566 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.912 1.805 3.224 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.728 -1.148 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.713 -1.119 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.177 -0.710 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.048 0.575 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.548 -0.544 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.876 1.172 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.892 0.285 5.686 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.227 2.068 3.576 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.146 3.152 3.285 1.00 0.00 C ATOM 1522 C GLY A 99 -10.668 3.822 4.540 1.00 0.00 C ATOM 1523 O GLY A 99 -10.687 5.049 4.636 1.00 0.00 O ATOM 0 H GLY A 99 -9.429 1.193 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.644 3.893 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.986 2.767 2.706 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.096 3.015 5.506 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.622 3.537 6.762 1.00 0.00 C ATOM 1529 C HIS A 100 -10.560 4.345 7.502 1.00 0.00 C ATOM 1530 O HIS A 100 -10.776 5.508 7.842 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.118 2.393 7.647 1.00 0.00 C ATOM 1532 CG HIS A 100 -13.243 1.612 7.041 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -14.524 2.108 6.921 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -13.274 0.363 6.519 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -15.295 1.197 6.352 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -14.560 0.130 6.098 1.00 0.00 N ATOM 0 H HIS A 100 -11.089 1.997 5.443 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.459 4.196 6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -11.288 1.718 7.853 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.443 2.800 8.604 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.442 -0.322 6.447 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -16.347 1.307 6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -14.894 -0.729 5.660 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.414 3.720 7.749 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.318 4.380 8.449 1.00 0.00 C ATOM 1547 C VAL A 101 -8.069 5.775 7.886 1.00 0.00 C ATOM 1548 O VAL A 101 -7.816 6.720 8.633 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.017 3.561 8.354 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.878 4.284 9.057 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.219 2.172 8.940 1.00 0.00 C ATOM 0 H VAL A 101 -9.220 2.757 7.475 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.613 4.460 9.495 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.752 3.452 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.967 3.690 8.979 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.719 5.255 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.130 4.425 10.108 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.290 1.607 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.508 2.258 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.004 1.655 8.388 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.144 5.897 6.565 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.929 7.177 5.903 1.00 0.00 C ATOM 1563 C ALA A 102 -8.733 8.285 6.575 1.00 0.00 C ATOM 1564 O ALA A 102 -8.168 9.205 7.166 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.295 7.077 4.429 1.00 0.00 C ATOM 0 H ALA A 102 -8.352 5.125 5.932 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.872 7.428 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.130 8.040 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.674 6.320 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.344 6.799 4.333 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.055 8.191 6.481 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.938 9.185 7.080 1.00 0.00 C ATOM 1573 C LYS A 103 -10.696 9.292 8.582 1.00 0.00 C ATOM 1574 O LYS A 103 -10.766 10.378 9.156 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.401 8.824 6.813 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.797 8.932 5.351 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.938 7.989 5.010 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.209 8.358 5.760 1.00 0.00 C ATOM 1579 NZ LYS A 103 -16.432 7.965 5.006 1.00 0.00 N ATOM 0 H LYS A 103 -10.539 7.436 5.995 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.719 10.151 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.584 7.806 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.042 9.479 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.093 9.957 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.936 8.705 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.126 8.017 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.652 6.966 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.210 7.870 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.224 9.433 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.277 8.233 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.444 8.451 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.431 6.936 4.854 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.410 8.158 9.213 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.154 8.125 10.648 1.00 0.00 C ATOM 1595 C ALA A 104 -8.960 9.002 11.013 1.00 0.00 C ATOM 1596 O ALA A 104 -8.804 9.407 12.164 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.921 6.694 11.110 1.00 0.00 C ATOM 0 H ALA A 104 -10.350 7.250 8.753 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.032 8.521 11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.731 6.685 12.183 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.804 6.093 10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.061 6.278 10.586 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.120 9.290 10.024 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.950 10.116 10.262 1.00 0.00 C ATOM 1605 C GLY A 105 -6.960 11.386 9.435 1.00 0.00 C ATOM 1606 O GLY A 105 -5.913 11.842 8.972 1.00 0.00 O ATOM 0 H GLY A 105 -8.228 8.967 9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.901 10.375 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.052 9.543 10.032 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.143 11.958 9.246 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.286 13.183 8.466 1.00 0.00 C ATOM 1612 C LEU A 106 -7.950 14.408 9.311 1.00 0.00 C ATOM 1613 O LEU A 106 -8.068 14.381 10.536 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.709 13.301 7.919 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.951 12.688 6.540 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.441 12.519 6.285 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.317 13.548 5.456 1.00 0.00 C ATOM 0 H LEU A 106 -9.018 11.594 9.622 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.586 13.137 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.390 12.830 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.974 14.357 7.876 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.485 11.703 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.594 12.081 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.868 11.863 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.930 13.492 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.499 13.097 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.754 14.546 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.243 13.618 5.629 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.533 15.482 8.648 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.189 16.703 9.354 1.00 0.00 C ATOM 1631 C GLY A 107 -5.703 16.814 9.629 1.00 0.00 C ATOM 1632 O GLY A 107 -5.145 17.912 9.638 1.00 0.00 O ATOM 0 H GLY A 107 -7.427 15.529 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.512 17.562 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.734 16.739 10.297 1.00 0.00 H new ATOM 1636 N THR A 108 -5.057 15.674 9.856 1.00 0.00 N ATOM 1637 CA THR A 108 -3.627 15.648 10.136 1.00 0.00 C ATOM 1638 C THR A 108 -2.946 14.493 9.411 1.00 0.00 C ATOM 1639 O THR A 108 -3.605 13.678 8.765 1.00 0.00 O ATOM 1640 CB THR A 108 -3.353 15.524 11.646 1.00 0.00 C ATOM 1641 OG1 THR A 108 -4.076 14.413 12.186 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.753 16.798 12.375 1.00 0.00 C ATOM 0 H THR A 108 -5.502 14.756 9.851 1.00 0.00 H new ATOM 0 HA THR A 108 -3.217 16.592 9.776 1.00 0.00 H new ATOM 0 HB THR A 108 -2.284 15.364 11.786 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.895 14.340 13.146 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.550 16.687 13.440 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.179 17.637 11.982 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.817 16.984 12.226 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.623 14.429 9.522 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.853 13.371 8.878 1.00 0.00 C ATOM 1652 C ALA A 109 -1.504 12.009 9.094 1.00 0.00 C ATOM 1653 O ALA A 109 -1.833 11.640 10.221 1.00 0.00 O ATOM 1654 CB ALA A 109 0.575 13.365 9.403 1.00 0.00 C ATOM 0 H ALA A 109 -1.062 15.097 10.051 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.834 13.569 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.139 12.571 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.044 14.326 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.566 13.194 10.479 1.00 0.00 H new ATOM 1660 N MET A 110 -1.687 11.267 8.007 1.00 0.00 N ATOM 1661 CA MET A 110 -2.299 9.946 8.078 1.00 0.00 C ATOM 1662 C MET A 110 -1.447 8.912 7.349 1.00 0.00 C ATOM 1663 O MET A 110 -1.371 7.753 7.760 1.00 0.00 O ATOM 1664 CB MET A 110 -3.706 9.978 7.478 1.00 0.00 C ATOM 1665 CG MET A 110 -3.801 10.787 6.195 1.00 0.00 C ATOM 1666 SD MET A 110 -5.331 10.479 5.291 1.00 0.00 S ATOM 1667 CE MET A 110 -6.255 11.965 5.675 1.00 0.00 C ATOM 0 H MET A 110 -1.420 11.558 7.067 1.00 0.00 H new ATOM 0 HA MET A 110 -2.366 9.661 9.128 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.030 8.957 7.279 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.396 10.394 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.732 11.848 6.433 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.951 10.548 5.556 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.263 11.695 5.989 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.756 12.506 6.479 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.308 12.599 4.790 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.806 9.338 6.266 1.00 0.00 N ATOM 1678 CA LEU A 111 0.041 8.448 5.479 1.00 0.00 C ATOM 1679 C LEU A 111 0.766 7.451 6.378 1.00 0.00 C ATOM 1680 O LEU A 111 0.770 6.249 6.111 1.00 0.00 O ATOM 1681 CB LEU A 111 1.058 9.260 4.675 1.00 0.00 C ATOM 1682 CG LEU A 111 0.478 10.232 3.647 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.580 11.082 3.035 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.278 9.475 2.564 1.00 0.00 C ATOM 0 H LEU A 111 -0.857 10.294 5.913 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.597 7.892 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.675 9.826 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.719 8.566 4.156 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.223 10.894 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.148 11.768 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.077 11.653 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.306 10.436 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.684 10.183 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.401 8.789 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.093 8.911 3.016 1.00 0.00 H new ATOM 1696 N TYR A 112 1.376 7.958 7.443 1.00 0.00 N ATOM 1697 CA TYR A 112 2.105 7.112 8.381 1.00 0.00 C ATOM 1698 C TYR A 112 1.239 5.946 8.848 1.00 0.00 C ATOM 1699 O TYR A 112 1.582 4.783 8.640 1.00 0.00 O ATOM 1700 CB TYR A 112 2.568 7.932 9.586 1.00 0.00 C ATOM 1701 CG TYR A 112 3.533 7.194 10.486 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.866 7.036 10.127 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.112 6.654 11.695 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.752 6.362 10.945 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.991 5.979 12.520 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.309 5.836 12.141 1.00 0.00 C ATOM 1707 OH TYR A 112 6.187 5.163 12.960 1.00 0.00 O ATOM 0 H TYR A 112 1.380 8.950 7.679 1.00 0.00 H new ATOM 0 HA TYR A 112 2.978 6.710 7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.042 8.847 9.231 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.696 8.230 10.169 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.216 7.447 9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.080 6.764 11.995 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.785 6.248 10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.648 5.566 13.457 1.00 0.00 H new ATOM 0 HH TYR A 112 5.716 4.857 13.763 1.00 0.00 H new ATOM 1717 N GLU A 113 0.115 6.268 9.481 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.800 5.247 9.978 1.00 0.00 C ATOM 1719 C GLU A 113 -1.190 4.278 8.866 1.00 0.00 C ATOM 1720 O GLU A 113 -0.967 3.071 8.972 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.054 5.898 10.566 1.00 0.00 C ATOM 1722 CG GLU A 113 -1.936 6.219 12.046 1.00 0.00 C ATOM 1723 CD GLU A 113 -2.766 7.422 12.450 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -3.978 7.252 12.696 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -2.203 8.535 12.519 1.00 0.00 O ATOM 0 H GLU A 113 -0.183 7.227 9.662 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.289 4.687 10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.266 6.817 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.904 5.233 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.251 5.353 12.628 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.890 6.405 12.291 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.774 4.814 7.800 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.196 3.998 6.667 1.00 0.00 C ATOM 1734 C LEU A 114 -1.195 2.878 6.400 1.00 0.00 C ATOM 1735 O LEU A 114 -1.566 1.706 6.328 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.353 4.866 5.418 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.658 5.654 5.307 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.476 6.865 4.405 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.777 4.763 4.788 1.00 0.00 C ATOM 0 H LEU A 114 -1.966 5.810 7.697 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.158 3.549 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.522 5.571 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.264 4.225 4.541 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.933 6.006 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.416 7.413 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.705 7.515 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.177 6.536 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.698 5.341 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.510 4.380 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.925 3.929 5.473 1.00 0.00 H new ATOM 1751 N ILE A 115 0.073 3.247 6.256 1.00 0.00 N ATOM 1752 CA ILE A 115 1.127 2.273 6.001 1.00 0.00 C ATOM 1753 C ILE A 115 1.181 1.219 7.102 1.00 0.00 C ATOM 1754 O ILE A 115 1.110 0.021 6.831 1.00 0.00 O ATOM 1755 CB ILE A 115 2.505 2.951 5.887 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.494 3.993 4.767 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.588 1.912 5.640 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.508 5.099 4.960 1.00 0.00 C ATOM 0 H ILE A 115 0.395 4.213 6.312 1.00 0.00 H new ATOM 0 HA ILE A 115 0.888 1.792 5.053 1.00 0.00 H new ATOM 0 HB ILE A 115 2.723 3.458 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.688 3.495 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.498 4.432 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.556 2.407 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.608 1.204 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.377 1.380 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.443 5.801 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.302 5.622 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.510 4.672 4.997 1.00 0.00 H new ATOM 1770 N GLU A 116 1.305 1.675 8.344 1.00 0.00 N ATOM 1771 CA GLU A 116 1.367 0.771 9.487 1.00 0.00 C ATOM 1772 C GLU A 116 0.319 -0.331 9.366 1.00 0.00 C ATOM 1773 O GLU A 116 0.621 -1.513 9.531 1.00 0.00 O ATOM 1774 CB GLU A 116 1.160 1.545 10.790 1.00 0.00 C ATOM 1775 CG GLU A 116 2.267 2.544 11.087 1.00 0.00 C ATOM 1776 CD GLU A 116 3.529 1.880 11.603 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.416 0.846 12.294 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.629 2.394 11.314 1.00 0.00 O ATOM 0 H GLU A 116 1.365 2.664 8.585 1.00 0.00 H new ATOM 0 HA GLU A 116 2.355 0.310 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.208 2.074 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.090 0.837 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.500 3.103 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.913 3.265 11.824 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.916 0.064 9.076 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.011 -0.888 8.932 1.00 0.00 C ATOM 1787 C LYS A 117 -1.766 -1.824 7.753 1.00 0.00 C ATOM 1788 O LYS A 117 -1.913 -3.040 7.872 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.337 -0.147 8.742 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.533 -1.071 8.588 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.915 -1.713 9.911 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.751 -0.773 10.767 1.00 0.00 C ATOM 1793 NZ LYS A 117 -7.194 -0.830 10.405 1.00 0.00 N ATOM 0 H LYS A 117 -1.184 1.038 8.936 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.063 -1.485 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.503 0.509 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.265 0.490 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.381 -0.508 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.303 -1.848 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.474 -2.630 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.013 -1.995 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.630 -1.034 11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.387 0.247 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.743 -0.254 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.325 -0.460 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.523 -1.816 10.445 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.390 -1.249 6.614 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.130 -2.047 5.431 1.00 0.00 C ATOM 1809 C GLY A 118 -0.483 -3.378 5.760 1.00 0.00 C ATOM 1810 O GLY A 118 -0.888 -4.419 5.242 1.00 0.00 O ATOM 0 H GLY A 118 -1.261 -0.245 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.067 -2.223 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.482 -1.489 4.755 1.00 0.00 H new ATOM 1814 N LYS A 119 0.527 -3.346 6.623 1.00 0.00 N ATOM 1815 CA LYS A 119 1.233 -4.558 7.021 1.00 0.00 C ATOM 1816 C LYS A 119 0.296 -5.521 7.743 1.00 0.00 C ATOM 1817 O LYS A 119 0.239 -6.706 7.417 1.00 0.00 O ATOM 1818 CB LYS A 119 2.418 -4.209 7.925 1.00 0.00 C ATOM 1819 CG LYS A 119 3.530 -3.462 7.208 1.00 0.00 C ATOM 1820 CD LYS A 119 4.650 -3.081 8.162 1.00 0.00 C ATOM 1821 CE LYS A 119 4.263 -1.893 9.029 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.329 -1.553 10.012 1.00 0.00 N ATOM 0 H LYS A 119 0.875 -2.493 7.060 1.00 0.00 H new ATOM 0 HA LYS A 119 1.603 -5.046 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.063 -3.603 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.823 -5.127 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.929 -4.083 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.125 -2.563 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.894 -3.932 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.548 -2.840 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.065 -1.029 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.338 -2.117 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.027 -0.738 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.500 -2.368 10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.205 -1.314 9.505 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.437 -5.003 8.723 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.372 -5.818 9.490 1.00 0.00 C ATOM 1838 C GLU A 120 -2.356 -6.531 8.567 1.00 0.00 C ATOM 1839 O GLU A 120 -2.460 -7.758 8.583 1.00 0.00 O ATOM 1840 CB GLU A 120 -2.135 -4.951 10.494 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.241 -4.289 11.529 1.00 0.00 C ATOM 1842 CD GLU A 120 -2.025 -3.489 12.551 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -3.112 -3.949 12.958 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.551 -2.403 12.944 1.00 0.00 O ATOM 0 H GLU A 120 -0.402 -4.023 9.005 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.798 -6.570 10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.683 -4.180 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.874 -5.567 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.657 -5.054 12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.532 -3.632 11.025 1.00 0.00 H new ATOM 1851 N ILE A 121 -3.074 -5.754 7.763 1.00 0.00 N ATOM 1852 CA ILE A 121 -4.048 -6.311 6.833 1.00 0.00 C ATOM 1853 C ILE A 121 -3.497 -7.550 6.136 1.00 0.00 C ATOM 1854 O ILE A 121 -4.008 -8.657 6.317 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.463 -5.279 5.768 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -5.079 -4.046 6.434 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.442 -5.900 4.783 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.189 -2.853 5.511 1.00 0.00 C ATOM 0 H ILE A 121 -2.999 -4.737 7.737 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.923 -6.587 7.421 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.574 -4.967 5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.072 -4.301 6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.476 -3.771 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.726 -5.159 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.971 -6.750 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.331 -6.237 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.634 -2.016 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.196 -2.572 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.816 -3.110 4.657 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.451 -7.359 5.341 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.827 -8.461 4.617 1.00 0.00 C ATOM 1872 C LEU A 122 -1.669 -9.683 5.517 1.00 0.00 C ATOM 1873 O LEU A 122 -1.808 -10.820 5.067 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.463 -8.034 4.074 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.474 -7.304 2.730 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.933 -6.875 2.344 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.081 -8.186 1.649 1.00 0.00 C ATOM 0 H LEU A 122 -2.016 -6.450 5.181 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.475 -8.728 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.013 -7.388 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.161 -8.922 3.977 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.090 -6.410 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.905 -6.357 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.331 -6.206 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.572 -7.754 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.081 -7.650 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.493 -9.098 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.105 -8.442 1.921 1.00 0.00 H new ATOM 1889 N SER A 123 -1.380 -9.439 6.791 1.00 0.00 N ATOM 1890 CA SER A 123 -1.202 -10.519 7.755 1.00 0.00 C ATOM 1891 C SER A 123 -2.544 -10.962 8.329 1.00 0.00 C ATOM 1892 O SER A 123 -2.627 -11.403 9.474 1.00 0.00 O ATOM 1893 CB SER A 123 -0.272 -10.074 8.885 1.00 0.00 C ATOM 1894 OG SER A 123 0.450 -11.173 9.413 1.00 0.00 O ATOM 0 H SER A 123 -1.264 -8.503 7.180 1.00 0.00 H new ATOM 0 HA SER A 123 -0.752 -11.365 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.424 -9.322 8.513 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.855 -9.604 9.677 1.00 0.00 H new ATOM 0 HG SER A 123 1.038 -10.863 10.133 1.00 0.00 H new ATOM 1900 N GLY A 124 -3.595 -10.840 7.523 1.00 0.00 N ATOM 1901 CA GLY A 124 -4.920 -11.231 7.968 1.00 0.00 C ATOM 1902 C GLY A 124 -5.397 -10.417 9.154 1.00 0.00 C ATOM 1903 O GLY A 124 -4.603 -9.923 9.956 1.00 0.00 O ATOM 0 H GLY A 124 -3.552 -10.478 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.625 -11.115 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.913 -12.288 8.236 1.00 0.00 H new ATOM 1907 N PRO A 125 -6.724 -10.266 9.278 1.00 0.00 N ATOM 1908 CA PRO A 125 -7.336 -9.505 10.372 1.00 0.00 C ATOM 1909 C PRO A 125 -7.192 -10.207 11.718 1.00 0.00 C ATOM 1910 O PRO A 125 -7.455 -11.404 11.836 1.00 0.00 O ATOM 1911 CB PRO A 125 -8.810 -9.423 9.967 1.00 0.00 C ATOM 1912 CG PRO A 125 -9.027 -10.607 9.088 1.00 0.00 C ATOM 1913 CD PRO A 125 -7.730 -10.826 8.360 1.00 0.00 C ATOM 0 HA PRO A 125 -6.862 -8.533 10.506 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.463 -9.453 10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.025 -8.494 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.298 -11.484 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -9.842 -10.428 8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -7.552 -11.884 8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -7.720 -10.319 7.395 1.00 0.00 H new ATOM 1921 N SER A 126 -6.772 -9.455 12.731 1.00 0.00 N ATOM 1922 CA SER A 126 -6.590 -10.007 14.068 1.00 0.00 C ATOM 1923 C SER A 126 -7.633 -11.082 14.359 1.00 0.00 C ATOM 1924 O SER A 126 -8.792 -10.963 13.961 1.00 0.00 O ATOM 1925 CB SER A 126 -6.679 -8.897 15.117 1.00 0.00 C ATOM 1926 OG SER A 126 -5.611 -7.977 14.977 1.00 0.00 O ATOM 0 H SER A 126 -6.552 -8.462 12.651 1.00 0.00 H new ATOM 0 HA SER A 126 -5.601 -10.463 14.114 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.630 -8.373 15.017 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.659 -9.333 16.116 1.00 0.00 H new ATOM 0 HG SER A 126 -5.691 -7.276 15.658 1.00 0.00 H new ATOM 1932 N SER A 127 -7.212 -12.133 15.056 1.00 0.00 N ATOM 1933 CA SER A 127 -8.108 -13.232 15.398 1.00 0.00 C ATOM 1934 C SER A 127 -9.518 -12.718 15.672 1.00 0.00 C ATOM 1935 O SER A 127 -10.487 -13.179 15.069 1.00 0.00 O ATOM 1936 CB SER A 127 -7.581 -13.985 16.621 1.00 0.00 C ATOM 1937 OG SER A 127 -8.445 -15.051 16.974 1.00 0.00 O ATOM 0 H SER A 127 -6.257 -12.247 15.395 1.00 0.00 H new ATOM 0 HA SER A 127 -8.147 -13.914 14.549 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.585 -14.374 16.411 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.484 -13.298 17.461 1.00 0.00 H new ATOM 0 HG SER A 127 -8.086 -15.518 17.757 1.00 0.00 H new ATOM 1943 N GLY A 128 -9.625 -11.759 16.587 1.00 0.00 N ATOM 1944 CA GLY A 128 -10.920 -11.198 16.926 1.00 0.00 C ATOM 1945 C GLY A 128 -11.944 -12.264 17.260 1.00 0.00 C ATOM 1946 O GLY A 128 -13.027 -11.959 17.759 1.00 0.00 O ATOM 0 H GLY A 128 -8.838 -11.361 17.099 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.810 -10.525 17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.283 -10.599 16.091 1.00 0.00 H new TER 1950 GLY A 128