USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -2.35 K(o=-2.3,f=-3!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0914) 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= -0.0698 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 31 LYS NZ :NH3+ 137:sc= -1.21 (180deg=-3.81!) USER MOD Single : A 36 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.23) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -114:sc= 1.59 USER MOD Single : A 42 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.24) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.5) USER MOD Single : A 69 TYR OH : rot 30:sc= 0.237 USER MOD Single : A 72 CYS SG : rot 118:sc= -1.99! USER MOD Single : A 76 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00688 USER MOD Single : A 86 THR OG1 : rot -59:sc= 0.124 USER MOD Single : A 88 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.9) USER MOD Single : A 90 SER OG : rot -15:sc= 1.98 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.437 2.313 -27.650 1.00 0.00 N ATOM 2 CA GLY A 1 -4.697 3.031 -26.370 1.00 0.00 C ATOM 3 C GLY A 1 -4.901 2.083 -25.205 1.00 0.00 C ATOM 4 O GLY A 1 -4.038 1.256 -24.910 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.304 3.005 -28.415 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.579 1.733 -27.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.246 1.699 -27.874 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.860 3.694 -26.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.581 3.659 -26.482 1.00 0.00 H new ATOM 10 N SER A 2 -6.045 2.204 -24.540 1.00 0.00 N ATOM 11 CA SER A 2 -6.360 1.351 -23.400 1.00 0.00 C ATOM 12 C SER A 2 -7.868 1.265 -23.185 1.00 0.00 C ATOM 13 O SER A 2 -8.642 1.933 -23.870 1.00 0.00 O ATOM 14 CB SER A 2 -5.683 1.883 -22.136 1.00 0.00 C ATOM 15 OG SER A 2 -5.691 3.300 -22.110 1.00 0.00 O ATOM 0 H SER A 2 -6.769 2.884 -24.771 1.00 0.00 H new ATOM 0 HA SER A 2 -5.984 0.350 -23.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.196 1.497 -21.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.656 1.521 -22.090 1.00 0.00 H new ATOM 0 HG SER A 2 -5.254 3.615 -21.291 1.00 0.00 H new ATOM 21 N SER A 3 -8.278 0.439 -22.229 1.00 0.00 N ATOM 22 CA SER A 3 -9.694 0.265 -21.922 1.00 0.00 C ATOM 23 C SER A 3 -9.904 0.043 -20.428 1.00 0.00 C ATOM 24 O SER A 3 -10.695 0.740 -19.793 1.00 0.00 O ATOM 25 CB SER A 3 -10.267 -0.913 -22.712 1.00 0.00 C ATOM 26 OG SER A 3 -9.524 -2.096 -22.474 1.00 0.00 O ATOM 0 H SER A 3 -7.650 -0.121 -21.653 1.00 0.00 H new ATOM 0 HA SER A 3 -10.218 1.176 -22.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.308 -1.071 -22.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.256 -0.681 -23.777 1.00 0.00 H new ATOM 0 HG SER A 3 -9.911 -2.835 -22.989 1.00 0.00 H new ATOM 32 N GLY A 4 -9.190 -0.931 -19.875 1.00 0.00 N ATOM 33 CA GLY A 4 -9.314 -1.227 -18.459 1.00 0.00 C ATOM 34 C GLY A 4 -10.398 -2.247 -18.172 1.00 0.00 C ATOM 35 O GLY A 4 -11.477 -2.200 -18.764 1.00 0.00 O ATOM 0 H GLY A 4 -8.528 -1.520 -20.380 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.361 -1.599 -18.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.532 -0.307 -17.917 1.00 0.00 H new ATOM 39 N SER A 5 -10.112 -3.171 -17.262 1.00 0.00 N ATOM 40 CA SER A 5 -11.072 -4.207 -16.896 1.00 0.00 C ATOM 41 C SER A 5 -11.808 -3.838 -15.612 1.00 0.00 C ATOM 42 O SER A 5 -12.032 -4.686 -14.747 1.00 0.00 O ATOM 43 CB SER A 5 -10.361 -5.552 -16.724 1.00 0.00 C ATOM 44 OG SER A 5 -11.156 -6.616 -17.218 1.00 0.00 O ATOM 0 H SER A 5 -9.223 -3.224 -16.764 1.00 0.00 H new ATOM 0 HA SER A 5 -11.803 -4.291 -17.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.407 -5.532 -17.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.140 -5.718 -15.670 1.00 0.00 H new ATOM 0 HG SER A 5 -10.679 -7.464 -17.098 1.00 0.00 H new ATOM 50 N SER A 6 -12.182 -2.568 -15.495 1.00 0.00 N ATOM 51 CA SER A 6 -12.894 -2.079 -14.319 1.00 0.00 C ATOM 52 C SER A 6 -12.034 -2.214 -13.064 1.00 0.00 C ATOM 53 O SER A 6 -11.433 -1.242 -12.606 1.00 0.00 O ATOM 54 CB SER A 6 -14.211 -2.838 -14.138 1.00 0.00 C ATOM 55 OG SER A 6 -15.128 -2.523 -15.169 1.00 0.00 O ATOM 0 H SER A 6 -12.003 -1.856 -16.203 1.00 0.00 H new ATOM 0 HA SER A 6 -13.113 -1.022 -14.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.018 -3.911 -14.134 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.647 -2.589 -13.171 1.00 0.00 H new ATOM 0 HG SER A 6 -15.960 -3.022 -15.031 1.00 0.00 H new ATOM 61 N GLY A 7 -11.980 -3.422 -12.513 1.00 0.00 N ATOM 62 CA GLY A 7 -11.191 -3.658 -11.318 1.00 0.00 C ATOM 63 C GLY A 7 -9.758 -4.038 -11.634 1.00 0.00 C ATOM 64 O GLY A 7 -9.282 -3.820 -12.748 1.00 0.00 O ATOM 0 H GLY A 7 -12.469 -4.242 -12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.197 -2.761 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.653 -4.452 -10.732 1.00 0.00 H new ATOM 68 N ALA A 8 -9.068 -4.608 -10.651 1.00 0.00 N ATOM 69 CA ALA A 8 -7.681 -5.020 -10.830 1.00 0.00 C ATOM 70 C ALA A 8 -7.253 -5.997 -9.741 1.00 0.00 C ATOM 71 O ALA A 8 -7.576 -5.813 -8.567 1.00 0.00 O ATOM 72 CB ALA A 8 -6.768 -3.804 -10.841 1.00 0.00 C ATOM 0 H ALA A 8 -9.447 -4.795 -9.723 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.600 -5.530 -11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.735 -4.126 -10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.052 -3.143 -11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.862 -3.270 -9.895 1.00 0.00 H new ATOM 78 N ALA A 9 -6.525 -7.036 -10.137 1.00 0.00 N ATOM 79 CA ALA A 9 -6.053 -8.042 -9.193 1.00 0.00 C ATOM 80 C ALA A 9 -4.825 -7.550 -8.436 1.00 0.00 C ATOM 81 O ALA A 9 -4.906 -7.209 -7.256 1.00 0.00 O ATOM 82 CB ALA A 9 -5.742 -9.342 -9.920 1.00 0.00 C ATOM 0 H ALA A 9 -6.249 -7.203 -11.105 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.845 -8.225 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.391 -10.084 -9.204 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.643 -9.709 -10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.969 -9.165 -10.668 1.00 0.00 H new ATOM 88 N GLU A 10 -3.687 -7.516 -9.123 1.00 0.00 N ATOM 89 CA GLU A 10 -2.438 -7.067 -8.515 1.00 0.00 C ATOM 90 C GLU A 10 -2.020 -7.993 -7.379 1.00 0.00 C ATOM 91 O GLU A 10 -2.807 -8.281 -6.476 1.00 0.00 O ATOM 92 CB GLU A 10 -2.584 -5.635 -7.994 1.00 0.00 C ATOM 93 CG GLU A 10 -1.260 -4.904 -7.845 1.00 0.00 C ATOM 94 CD GLU A 10 -1.440 -3.427 -7.549 1.00 0.00 C ATOM 95 OE1 GLU A 10 -2.456 -2.853 -7.990 1.00 0.00 O ATOM 96 OE2 GLU A 10 -0.562 -2.846 -6.877 1.00 0.00 O ATOM 0 H GLU A 10 -3.604 -7.794 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.663 -7.090 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.225 -5.074 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.087 -5.658 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.683 -5.364 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.680 -5.019 -8.761 1.00 0.00 H new ATOM 103 N VAL A 11 -0.775 -8.459 -7.428 1.00 0.00 N ATOM 104 CA VAL A 11 -0.252 -9.353 -6.403 1.00 0.00 C ATOM 105 C VAL A 11 0.495 -8.575 -5.324 1.00 0.00 C ATOM 106 O VAL A 11 0.675 -7.362 -5.432 1.00 0.00 O ATOM 107 CB VAL A 11 0.694 -10.408 -7.006 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.077 -11.369 -7.898 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.819 -9.737 -7.779 1.00 0.00 C ATOM 0 H VAL A 11 -0.110 -8.231 -8.168 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.109 -9.857 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 11 1.136 -10.981 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.608 -12.107 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.843 -11.876 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.549 -10.814 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.477 -10.498 -8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.399 -9.137 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.389 -9.094 -7.108 1.00 0.00 H new ATOM 119 N GLY A 12 0.926 -9.281 -4.285 1.00 0.00 N ATOM 120 CA GLY A 12 1.649 -8.640 -3.201 1.00 0.00 C ATOM 121 C GLY A 12 3.010 -9.266 -2.962 1.00 0.00 C ATOM 122 O GLY A 12 3.576 -9.895 -3.856 1.00 0.00 O ATOM 0 H GLY A 12 0.788 -10.285 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.774 -7.581 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.058 -8.703 -2.287 1.00 0.00 H new ATOM 126 N ASP A 13 3.535 -9.091 -1.754 1.00 0.00 N ATOM 127 CA ASP A 13 4.838 -9.643 -1.401 1.00 0.00 C ATOM 128 C ASP A 13 4.751 -10.471 -0.124 1.00 0.00 C ATOM 129 O ASP A 13 3.783 -10.367 0.629 1.00 0.00 O ATOM 130 CB ASP A 13 5.861 -8.518 -1.224 1.00 0.00 C ATOM 131 CG ASP A 13 7.278 -8.975 -1.513 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.939 -9.483 -0.583 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.726 -8.825 -2.669 1.00 0.00 O ATOM 0 H ASP A 13 3.079 -8.572 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 13 5.160 -10.294 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.606 -7.691 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.806 -8.137 -0.204 1.00 0.00 H new ATOM 138 N ASP A 14 5.768 -11.293 0.114 1.00 0.00 N ATOM 139 CA ASP A 14 5.805 -12.140 1.300 1.00 0.00 C ATOM 140 C ASP A 14 6.675 -11.514 2.387 1.00 0.00 C ATOM 141 O ASP A 14 7.301 -12.220 3.177 1.00 0.00 O ATOM 142 CB ASP A 14 6.332 -13.532 0.941 1.00 0.00 C ATOM 143 CG ASP A 14 5.294 -14.616 1.158 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.463 -14.466 2.077 1.00 0.00 O ATOM 145 OD2 ASP A 14 5.313 -15.615 0.407 1.00 0.00 O ATOM 0 H ASP A 14 6.577 -11.390 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 14 4.789 -12.234 1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.649 -13.540 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.213 -13.751 1.544 1.00 0.00 H new ATOM 150 N PHE A 15 6.706 -10.186 2.421 1.00 0.00 N ATOM 151 CA PHE A 15 7.498 -9.466 3.412 1.00 0.00 C ATOM 152 C PHE A 15 7.129 -7.986 3.434 1.00 0.00 C ATOM 153 O PHE A 15 7.279 -7.284 2.434 1.00 0.00 O ATOM 154 CB PHE A 15 8.991 -9.625 3.116 1.00 0.00 C ATOM 155 CG PHE A 15 9.874 -9.300 4.288 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.232 -10.283 5.196 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.346 -8.011 4.479 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.044 -9.986 6.274 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.159 -7.708 5.555 1.00 0.00 C ATOM 160 CZ PHE A 15 11.508 -8.698 6.454 1.00 0.00 C ATOM 0 H PHE A 15 6.193 -9.587 1.775 1.00 0.00 H new ATOM 0 HA PHE A 15 7.280 -9.891 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.183 -10.650 2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.258 -8.979 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.873 -11.292 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.075 -7.234 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.316 -10.761 6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.521 -6.700 5.693 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.143 -8.465 7.296 1.00 0.00 H new ATOM 170 N LEU A 16 6.644 -7.520 4.580 1.00 0.00 N ATOM 171 CA LEU A 16 6.253 -6.123 4.732 1.00 0.00 C ATOM 172 C LEU A 16 7.441 -5.197 4.487 1.00 0.00 C ATOM 173 O LEU A 16 8.567 -5.655 4.292 1.00 0.00 O ATOM 174 CB LEU A 16 5.683 -5.880 6.131 1.00 0.00 C ATOM 175 CG LEU A 16 4.234 -6.330 6.326 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.998 -6.761 7.765 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.275 -5.215 5.937 1.00 0.00 C ATOM 0 H LEU A 16 6.512 -8.089 5.417 1.00 0.00 H new ATOM 0 HA LEU A 16 5.484 -5.904 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.309 -6.398 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.750 -4.815 6.354 1.00 0.00 H new ATOM 0 HG LEU A 16 4.048 -7.186 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.962 -7.078 7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.662 -7.590 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.201 -5.924 8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.248 -5.551 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.462 -4.341 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.427 -4.953 4.890 1.00 0.00 H new ATOM 189 N GLY A 17 7.182 -3.894 4.497 1.00 0.00 N ATOM 190 CA GLY A 17 8.240 -2.926 4.275 1.00 0.00 C ATOM 191 C GLY A 17 8.757 -2.318 5.565 1.00 0.00 C ATOM 192 O GLY A 17 9.349 -1.240 5.555 1.00 0.00 O ATOM 0 H GLY A 17 6.258 -3.491 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.064 -3.409 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.870 -2.132 3.626 1.00 0.00 H new ATOM 196 N ASP A 18 8.534 -3.011 6.678 1.00 0.00 N ATOM 197 CA ASP A 18 8.984 -2.531 7.981 1.00 0.00 C ATOM 198 C ASP A 18 8.435 -1.137 8.271 1.00 0.00 C ATOM 199 O ASP A 18 9.072 -0.340 8.961 1.00 0.00 O ATOM 200 CB ASP A 18 10.512 -2.512 8.041 1.00 0.00 C ATOM 201 CG ASP A 18 11.096 -3.877 8.350 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.538 -4.578 9.221 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.111 -4.244 7.722 1.00 0.00 O ATOM 0 H ASP A 18 8.045 -3.906 6.704 1.00 0.00 H new ATOM 0 HA ASP A 18 8.605 -3.215 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.906 -2.159 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.834 -1.801 8.802 1.00 0.00 H new ATOM 208 N PHE A 19 7.253 -0.848 7.737 1.00 0.00 N ATOM 209 CA PHE A 19 6.621 0.451 7.938 1.00 0.00 C ATOM 210 C PHE A 19 5.703 0.427 9.156 1.00 0.00 C ATOM 211 O PHE A 19 5.505 -0.618 9.777 1.00 0.00 O ATOM 212 CB PHE A 19 5.827 0.853 6.695 1.00 0.00 C ATOM 213 CG PHE A 19 6.690 1.178 5.509 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.115 0.178 4.650 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.078 2.485 5.255 1.00 0.00 C ATOM 216 CE1 PHE A 19 7.909 0.474 3.558 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.873 2.786 4.165 1.00 0.00 C ATOM 218 CZ PHE A 19 8.289 1.780 3.316 1.00 0.00 C ATOM 0 H PHE A 19 6.714 -1.495 7.162 1.00 0.00 H new ATOM 0 HA PHE A 19 7.407 1.186 8.112 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.149 0.042 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.210 1.719 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.823 -0.845 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.756 3.276 5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.232 -0.315 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.169 3.808 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.910 2.014 2.464 1.00 0.00 H new ATOM 228 N VAL A 20 5.145 1.585 9.492 1.00 0.00 N ATOM 229 CA VAL A 20 4.247 1.697 10.636 1.00 0.00 C ATOM 230 C VAL A 20 3.011 2.518 10.286 1.00 0.00 C ATOM 231 O VAL A 20 2.958 3.162 9.239 1.00 0.00 O ATOM 232 CB VAL A 20 4.953 2.342 11.843 1.00 0.00 C ATOM 233 CG1 VAL A 20 6.059 1.436 12.363 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.503 3.710 11.472 1.00 0.00 C ATOM 0 H VAL A 20 5.298 2.459 8.989 1.00 0.00 H new ATOM 0 HA VAL A 20 3.944 0.684 10.901 1.00 0.00 H new ATOM 0 HB VAL A 20 4.221 2.475 12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.546 1.909 13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.632 0.482 12.672 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.792 1.267 11.574 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.998 4.150 12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.220 3.605 10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.685 4.357 11.154 1.00 0.00 H new ATOM 244 N VAL A 21 2.019 2.490 11.169 1.00 0.00 N ATOM 245 CA VAL A 21 0.783 3.233 10.954 1.00 0.00 C ATOM 246 C VAL A 21 0.884 4.646 11.518 1.00 0.00 C ATOM 247 O VAL A 21 1.108 4.833 12.714 1.00 0.00 O ATOM 248 CB VAL A 21 -0.420 2.520 11.600 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.722 3.197 11.198 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.437 1.048 11.218 1.00 0.00 C ATOM 0 H VAL A 21 2.047 1.961 12.040 1.00 0.00 H new ATOM 0 HA VAL A 21 0.630 3.286 9.876 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.320 2.590 12.683 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.560 2.679 11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.709 4.236 11.527 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.831 3.162 10.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.294 0.561 11.684 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.511 0.954 10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.482 0.572 11.562 1.00 0.00 H new ATOM 260 N GLY A 22 0.719 5.638 10.648 1.00 0.00 N ATOM 261 CA GLY A 22 0.796 7.022 11.079 1.00 0.00 C ATOM 262 C GLY A 22 2.010 7.738 10.521 1.00 0.00 C ATOM 263 O GLY A 22 2.530 8.666 11.139 1.00 0.00 O ATOM 0 H GLY A 22 0.534 5.508 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.107 7.547 10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.825 7.059 12.168 1.00 0.00 H new ATOM 267 N GLU A 23 2.464 7.303 9.349 1.00 0.00 N ATOM 268 CA GLU A 23 3.625 7.908 8.708 1.00 0.00 C ATOM 269 C GLU A 23 3.365 8.150 7.225 1.00 0.00 C ATOM 270 O GLU A 23 2.541 7.472 6.611 1.00 0.00 O ATOM 271 CB GLU A 23 4.854 7.013 8.881 1.00 0.00 C ATOM 272 CG GLU A 23 4.686 5.626 8.282 1.00 0.00 C ATOM 273 CD GLU A 23 5.992 5.047 7.777 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.637 5.691 6.923 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.372 3.949 8.236 1.00 0.00 O ATOM 0 H GLU A 23 2.045 6.534 8.825 1.00 0.00 H new ATOM 0 HA GLU A 23 3.812 8.869 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.714 7.498 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.076 6.916 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.263 4.959 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.972 5.673 7.460 1.00 0.00 H new ATOM 282 N ARG A 24 4.072 9.120 6.656 1.00 0.00 N ATOM 283 CA ARG A 24 3.917 9.451 5.243 1.00 0.00 C ATOM 284 C ARG A 24 4.865 8.621 4.385 1.00 0.00 C ATOM 285 O ARG A 24 6.082 8.664 4.567 1.00 0.00 O ATOM 286 CB ARG A 24 4.175 10.941 5.014 1.00 0.00 C ATOM 287 CG ARG A 24 3.241 11.849 5.799 1.00 0.00 C ATOM 288 CD ARG A 24 2.318 12.634 4.880 1.00 0.00 C ATOM 289 NE ARG A 24 3.055 13.572 4.037 1.00 0.00 N ATOM 290 CZ ARG A 24 2.497 14.613 3.423 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.198 14.854 3.555 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.240 15.418 2.674 1.00 0.00 N ATOM 0 H ARG A 24 4.758 9.691 7.150 1.00 0.00 H new ATOM 0 HA ARG A 24 2.893 9.219 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.205 11.169 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.072 11.160 3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.646 11.250 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.828 12.541 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.759 11.942 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.589 13.180 5.479 1.00 0.00 H new ATOM 0 HE ARG A 24 4.056 13.420 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.621 14.240 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.777 15.653 3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.239 15.239 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.812 16.216 2.204 1.00 0.00 H new ATOM 306 N VAL A 25 4.300 7.865 3.450 1.00 0.00 N ATOM 307 CA VAL A 25 5.094 7.024 2.562 1.00 0.00 C ATOM 308 C VAL A 25 4.765 7.305 1.100 1.00 0.00 C ATOM 309 O VAL A 25 3.600 7.436 0.729 1.00 0.00 O ATOM 310 CB VAL A 25 4.864 5.529 2.850 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.373 5.167 4.236 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.392 5.178 2.706 1.00 0.00 C ATOM 0 H VAL A 25 3.294 7.817 3.287 1.00 0.00 H new ATOM 0 HA VAL A 25 6.140 7.265 2.749 1.00 0.00 H new ATOM 0 HB VAL A 25 5.426 4.947 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.202 4.107 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.441 5.378 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.842 5.756 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.249 4.118 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.807 5.768 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.064 5.397 1.690 1.00 0.00 H new ATOM 322 N TRP A 26 5.801 7.395 0.271 1.00 0.00 N ATOM 323 CA TRP A 26 5.621 7.660 -1.151 1.00 0.00 C ATOM 324 C TRP A 26 5.370 6.365 -1.917 1.00 0.00 C ATOM 325 O TRP A 26 6.258 5.521 -2.036 1.00 0.00 O ATOM 326 CB TRP A 26 6.850 8.374 -1.719 1.00 0.00 C ATOM 327 CG TRP A 26 6.887 9.836 -1.396 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.582 10.870 -2.235 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.253 10.430 -0.145 1.00 0.00 C ATOM 330 NE1 TRP A 26 6.735 12.068 -1.583 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.146 11.825 -0.298 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.659 9.918 1.090 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.430 12.712 0.737 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.941 10.798 2.117 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.825 12.183 1.935 1.00 0.00 C ATOM 0 H TRP A 26 6.773 7.288 0.560 1.00 0.00 H new ATOM 0 HA TRP A 26 4.750 8.305 -1.268 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.750 7.900 -1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.867 8.247 -2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.266 10.761 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.570 12.989 -1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.751 8.852 1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.342 13.779 0.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.256 10.413 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.052 12.846 2.757 1.00 0.00 H new ATOM 346 N VAL A 27 4.156 6.216 -2.435 1.00 0.00 N ATOM 347 CA VAL A 27 3.786 5.025 -3.189 1.00 0.00 C ATOM 348 C VAL A 27 4.367 5.064 -4.598 1.00 0.00 C ATOM 349 O VAL A 27 4.044 5.951 -5.389 1.00 0.00 O ATOM 350 CB VAL A 27 2.257 4.869 -3.281 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.892 3.525 -3.893 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.620 5.030 -1.908 1.00 0.00 C ATOM 0 H VAL A 27 3.411 6.907 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 27 4.198 4.171 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 27 1.869 5.654 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.807 3.434 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.315 3.455 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.292 2.722 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.539 4.917 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.013 4.269 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.851 6.019 -1.513 1.00 0.00 H new ATOM 362 N ASN A 28 5.222 4.094 -4.908 1.00 0.00 N ATOM 363 CA ASN A 28 5.848 4.015 -6.223 1.00 0.00 C ATOM 364 C ASN A 28 6.626 5.288 -6.539 1.00 0.00 C ATOM 365 O ASN A 28 6.784 5.658 -7.702 1.00 0.00 O ATOM 366 CB ASN A 28 4.788 3.771 -7.299 1.00 0.00 C ATOM 367 CG ASN A 28 4.260 2.350 -7.280 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.975 1.406 -7.618 1.00 0.00 O ATOM 369 ND2 ASN A 28 3.004 2.190 -6.881 1.00 0.00 N ATOM 0 H ASN A 28 5.497 3.351 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 28 6.548 3.180 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.960 4.465 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.214 3.984 -8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.595 1.256 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.448 3.001 -6.610 1.00 0.00 H new ATOM 376 N GLY A 29 7.113 5.955 -5.496 1.00 0.00 N ATOM 377 CA GLY A 29 7.871 7.178 -5.686 1.00 0.00 C ATOM 378 C GLY A 29 7.099 8.228 -6.462 1.00 0.00 C ATOM 379 O GLY A 29 7.582 8.743 -7.470 1.00 0.00 O ATOM 0 H GLY A 29 6.996 5.670 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.150 7.583 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.797 6.949 -6.214 1.00 0.00 H new ATOM 383 N VAL A 30 5.898 8.546 -5.990 1.00 0.00 N ATOM 384 CA VAL A 30 5.060 9.541 -6.648 1.00 0.00 C ATOM 385 C VAL A 30 4.558 10.582 -5.653 1.00 0.00 C ATOM 386 O VAL A 30 4.928 11.754 -5.724 1.00 0.00 O ATOM 387 CB VAL A 30 3.851 8.887 -7.343 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.104 9.907 -8.189 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.297 7.705 -8.190 1.00 0.00 C ATOM 0 H VAL A 30 5.484 8.130 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 30 5.681 10.030 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 30 3.170 8.518 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.253 9.426 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.749 10.718 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.773 10.309 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.429 7.256 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.999 8.047 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.782 6.964 -7.554 1.00 0.00 H new ATOM 399 N LYS A 31 3.712 10.147 -4.724 1.00 0.00 N ATOM 400 CA LYS A 31 3.159 11.043 -3.715 1.00 0.00 C ATOM 401 C LYS A 31 3.125 10.366 -2.346 1.00 0.00 C ATOM 402 O LYS A 31 2.930 9.154 -2.248 1.00 0.00 O ATOM 403 CB LYS A 31 1.750 11.487 -4.113 1.00 0.00 C ATOM 404 CG LYS A 31 1.687 12.154 -5.477 1.00 0.00 C ATOM 405 CD LYS A 31 0.260 12.230 -5.996 1.00 0.00 C ATOM 406 CE LYS A 31 0.184 13.000 -7.306 1.00 0.00 C ATOM 407 NZ LYS A 31 -1.018 13.876 -7.366 1.00 0.00 N ATOM 0 H LYS A 31 3.395 9.180 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 31 3.803 11.920 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.090 10.619 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.370 12.179 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.105 13.158 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.303 11.598 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.130 11.222 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.374 12.712 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.082 13.607 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.163 12.298 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.754 14.801 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.739 13.435 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.402 14.005 -6.408 1.00 0.00 H new ATOM 421 N PRO A 32 3.316 11.143 -1.265 1.00 0.00 N ATOM 422 CA PRO A 32 3.305 10.611 0.100 1.00 0.00 C ATOM 423 C PRO A 32 1.899 10.266 0.577 1.00 0.00 C ATOM 424 O PRO A 32 0.925 10.905 0.183 1.00 0.00 O ATOM 425 CB PRO A 32 3.884 11.759 0.928 1.00 0.00 C ATOM 426 CG PRO A 32 3.530 12.988 0.165 1.00 0.00 C ATOM 427 CD PRO A 32 3.555 12.599 -1.290 1.00 0.00 C ATOM 0 HA PRO A 32 3.867 9.681 0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.458 11.779 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.964 11.660 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.545 13.355 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.241 13.790 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.785 13.122 -1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.512 12.840 -1.753 1.00 0.00 H new ATOM 435 N GLY A 33 1.801 9.249 1.428 1.00 0.00 N ATOM 436 CA GLY A 33 0.509 8.837 1.944 1.00 0.00 C ATOM 437 C GLY A 33 0.589 8.322 3.368 1.00 0.00 C ATOM 438 O GLY A 33 1.573 7.687 3.750 1.00 0.00 O ATOM 0 H GLY A 33 2.593 8.704 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.180 9.681 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.097 8.058 1.302 1.00 0.00 H new ATOM 442 N VAL A 34 -0.446 8.596 4.154 1.00 0.00 N ATOM 443 CA VAL A 34 -0.488 8.156 5.543 1.00 0.00 C ATOM 444 C VAL A 34 -0.924 6.698 5.644 1.00 0.00 C ATOM 445 O VAL A 34 -2.030 6.341 5.240 1.00 0.00 O ATOM 446 CB VAL A 34 -1.446 9.024 6.379 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.328 8.681 7.856 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.169 10.502 6.144 1.00 0.00 C ATOM 0 H VAL A 34 -1.267 9.121 3.853 1.00 0.00 H new ATOM 0 HA VAL A 34 0.523 8.260 5.938 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.467 8.813 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.013 9.305 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.580 7.631 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.306 8.860 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.855 11.101 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.143 10.730 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.310 10.735 5.089 1.00 0.00 H new ATOM 458 N VAL A 35 -0.047 5.861 6.188 1.00 0.00 N ATOM 459 CA VAL A 35 -0.341 4.441 6.342 1.00 0.00 C ATOM 460 C VAL A 35 -1.335 4.206 7.473 1.00 0.00 C ATOM 461 O VAL A 35 -1.103 4.613 8.612 1.00 0.00 O ATOM 462 CB VAL A 35 0.939 3.628 6.621 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.636 2.137 6.622 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.016 3.960 5.598 1.00 0.00 C ATOM 0 H VAL A 35 0.872 6.141 6.529 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.778 4.105 5.402 1.00 0.00 H new ATOM 0 HB VAL A 35 1.312 3.900 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.552 1.580 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.099 1.916 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.238 1.846 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.912 3.377 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.655 3.719 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.253 5.022 5.651 1.00 0.00 H new ATOM 474 N GLN A 36 -2.443 3.547 7.153 1.00 0.00 N ATOM 475 CA GLN A 36 -3.474 3.257 8.142 1.00 0.00 C ATOM 476 C GLN A 36 -3.562 1.758 8.412 1.00 0.00 C ATOM 477 O GLN A 36 -3.772 1.333 9.548 1.00 0.00 O ATOM 478 CB GLN A 36 -4.830 3.784 7.664 1.00 0.00 C ATOM 479 CG GLN A 36 -5.250 5.078 8.342 1.00 0.00 C ATOM 480 CD GLN A 36 -5.597 4.883 9.805 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.733 4.553 10.146 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.618 5.089 10.677 1.00 0.00 N ATOM 0 H GLN A 36 -2.650 3.203 6.215 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.204 3.759 9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.790 3.944 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.591 3.025 7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.444 5.807 8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.112 5.494 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.692 5.361 10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.792 4.975 11.676 1.00 0.00 H new ATOM 491 N TYR A 37 -3.401 0.962 7.360 1.00 0.00 N ATOM 492 CA TYR A 37 -3.462 -0.490 7.483 1.00 0.00 C ATOM 493 C TYR A 37 -2.152 -1.130 7.036 1.00 0.00 C ATOM 494 O TYR A 37 -1.488 -0.637 6.124 1.00 0.00 O ATOM 495 CB TYR A 37 -4.623 -1.044 6.654 1.00 0.00 C ATOM 496 CG TYR A 37 -5.119 -2.391 7.129 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.034 -2.488 8.170 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.672 -3.565 6.536 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.489 -3.718 8.606 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.123 -4.798 6.967 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.032 -4.869 8.002 1.00 0.00 C ATOM 502 OH TYR A 37 -6.483 -6.095 8.434 1.00 0.00 O ATOM 0 H TYR A 37 -3.227 1.298 6.413 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.624 -0.734 8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.449 -0.333 6.680 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.308 -1.129 5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.395 -1.588 8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.961 -3.513 5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.200 -3.777 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.766 -5.702 6.496 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.064 -6.804 7.902 1.00 0.00 H new ATOM 512 N LEU A 38 -1.786 -2.231 7.684 1.00 0.00 N ATOM 513 CA LEU A 38 -0.555 -2.940 7.353 1.00 0.00 C ATOM 514 C LEU A 38 -0.687 -4.429 7.653 1.00 0.00 C ATOM 515 O LEU A 38 -0.688 -4.841 8.813 1.00 0.00 O ATOM 516 CB LEU A 38 0.622 -2.353 8.135 1.00 0.00 C ATOM 517 CG LEU A 38 1.148 -1.017 7.607 1.00 0.00 C ATOM 518 CD1 LEU A 38 2.072 -0.367 8.626 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.869 -1.216 6.283 1.00 0.00 C ATOM 0 H LEU A 38 -2.324 -2.652 8.441 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.371 -2.818 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.319 -2.222 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.438 -3.075 8.130 1.00 0.00 H new ATOM 0 HG LEU A 38 0.299 -0.353 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.437 0.582 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.525 -0.190 9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.917 -1.026 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.237 -0.256 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.709 -1.896 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.179 -1.639 5.553 1.00 0.00 H new ATOM 531 N GLY A 39 -0.798 -5.232 6.600 1.00 0.00 N ATOM 532 CA GLY A 39 -0.930 -6.667 6.773 1.00 0.00 C ATOM 533 C GLY A 39 -1.248 -7.381 5.474 1.00 0.00 C ATOM 534 O GLY A 39 -0.368 -7.588 4.639 1.00 0.00 O ATOM 0 H GLY A 39 -0.799 -4.915 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.004 -7.067 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.717 -6.871 7.499 1.00 0.00 H new ATOM 538 N GLU A 40 -2.510 -7.760 5.304 1.00 0.00 N ATOM 539 CA GLU A 40 -2.944 -8.456 4.098 1.00 0.00 C ATOM 540 C GLU A 40 -4.316 -7.965 3.650 1.00 0.00 C ATOM 541 O GLU A 40 -5.052 -7.353 4.424 1.00 0.00 O ATOM 542 CB GLU A 40 -2.985 -9.965 4.343 1.00 0.00 C ATOM 543 CG GLU A 40 -1.608 -10.598 4.474 1.00 0.00 C ATOM 544 CD GLU A 40 -1.675 -12.099 4.676 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.402 -12.543 5.589 1.00 0.00 O ATOM 546 OE2 GLU A 40 -0.999 -12.830 3.922 1.00 0.00 O ATOM 0 H GLU A 40 -3.251 -7.597 5.986 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.226 -8.242 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.554 -10.162 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.519 -10.444 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.025 -10.381 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.082 -10.145 5.314 1.00 0.00 H new ATOM 553 N THR A 41 -4.655 -8.237 2.393 1.00 0.00 N ATOM 554 CA THR A 41 -5.939 -7.823 1.840 1.00 0.00 C ATOM 555 C THR A 41 -6.798 -9.035 1.495 1.00 0.00 C ATOM 556 O THR A 41 -6.395 -10.177 1.715 1.00 0.00 O ATOM 557 CB THR A 41 -5.727 -6.961 0.596 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.965 -7.658 -0.374 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.018 -5.656 0.885 1.00 0.00 C ATOM 0 H THR A 41 -4.058 -8.742 1.739 1.00 0.00 H new ATOM 0 HA THR A 41 -6.460 -7.235 2.595 1.00 0.00 H new ATOM 0 HB THR A 41 -6.728 -6.738 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.102 -7.211 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.900 -5.093 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.606 -5.071 1.592 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.037 -5.862 1.312 1.00 0.00 H new ATOM 567 N GLN A 42 -7.984 -8.778 0.952 1.00 0.00 N ATOM 568 CA GLN A 42 -8.900 -9.848 0.575 1.00 0.00 C ATOM 569 C GLN A 42 -9.042 -9.934 -0.941 1.00 0.00 C ATOM 570 O GLN A 42 -9.212 -11.019 -1.498 1.00 0.00 O ATOM 571 CB GLN A 42 -10.271 -9.623 1.215 1.00 0.00 C ATOM 572 CG GLN A 42 -10.306 -9.935 2.702 1.00 0.00 C ATOM 573 CD GLN A 42 -10.652 -11.383 2.986 1.00 0.00 C ATOM 574 OE1 GLN A 42 -11.401 -12.013 2.237 1.00 0.00 O ATOM 575 NE2 GLN A 42 -10.108 -11.919 4.071 1.00 0.00 N ATOM 0 H GLN A 42 -8.333 -7.838 0.763 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.488 -10.790 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.568 -8.585 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.007 -10.244 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.335 -9.705 3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.037 -9.289 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.493 -11.360 4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.304 -12.890 4.313 1.00 0.00 H new ATOM 584 N PHE A 43 -8.972 -8.784 -1.604 1.00 0.00 N ATOM 585 CA PHE A 43 -9.094 -8.730 -3.056 1.00 0.00 C ATOM 586 C PHE A 43 -7.948 -9.480 -3.728 1.00 0.00 C ATOM 587 O PHE A 43 -8.112 -10.045 -4.808 1.00 0.00 O ATOM 588 CB PHE A 43 -9.118 -7.277 -3.533 1.00 0.00 C ATOM 589 CG PHE A 43 -7.848 -6.528 -3.242 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.801 -6.535 -4.150 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.703 -5.816 -2.063 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.632 -5.846 -3.885 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.536 -5.126 -1.793 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.499 -5.141 -2.706 1.00 0.00 C ATOM 0 H PHE A 43 -8.831 -7.877 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.031 -9.212 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.303 -7.259 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.952 -6.761 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.899 -7.085 -5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.511 -5.800 -1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.823 -5.859 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.435 -4.576 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.586 -4.602 -2.498 1.00 0.00 H new ATOM 604 N ALA A 44 -6.787 -9.480 -3.080 1.00 0.00 N ATOM 605 CA ALA A 44 -5.614 -10.160 -3.615 1.00 0.00 C ATOM 606 C ALA A 44 -4.772 -10.767 -2.496 1.00 0.00 C ATOM 607 O ALA A 44 -4.726 -10.237 -1.385 1.00 0.00 O ATOM 608 CB ALA A 44 -4.779 -9.196 -4.443 1.00 0.00 C ATOM 0 H ALA A 44 -6.634 -9.017 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.956 -10.972 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.906 -9.716 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.377 -8.814 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.454 -8.365 -3.816 1.00 0.00 H new ATOM 614 N PRO A 45 -4.090 -11.892 -2.774 1.00 0.00 N ATOM 615 CA PRO A 45 -3.247 -12.570 -1.784 1.00 0.00 C ATOM 616 C PRO A 45 -1.972 -11.790 -1.478 1.00 0.00 C ATOM 617 O PRO A 45 -1.835 -10.628 -1.862 1.00 0.00 O ATOM 618 CB PRO A 45 -2.910 -13.901 -2.458 1.00 0.00 C ATOM 619 CG PRO A 45 -3.002 -13.619 -3.918 1.00 0.00 C ATOM 620 CD PRO A 45 -4.089 -12.591 -4.074 1.00 0.00 C ATOM 0 HA PRO A 45 -3.752 -12.678 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.912 -14.243 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.608 -14.683 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.053 -13.245 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.239 -14.525 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.880 -11.908 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.053 -13.055 -4.281 1.00 0.00 H new ATOM 628 N GLY A 46 -1.041 -12.438 -0.785 1.00 0.00 N ATOM 629 CA GLY A 46 0.211 -11.791 -0.439 1.00 0.00 C ATOM 630 C GLY A 46 0.028 -10.672 0.567 1.00 0.00 C ATOM 631 O GLY A 46 -1.098 -10.340 0.939 1.00 0.00 O ATOM 0 H GLY A 46 -1.131 -13.400 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.899 -12.532 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.671 -11.391 -1.342 1.00 0.00 H new ATOM 635 N GLN A 47 1.138 -10.090 1.010 1.00 0.00 N ATOM 636 CA GLN A 47 1.096 -9.002 1.980 1.00 0.00 C ATOM 637 C GLN A 47 0.754 -7.680 1.300 1.00 0.00 C ATOM 638 O GLN A 47 1.224 -7.398 0.198 1.00 0.00 O ATOM 639 CB GLN A 47 2.437 -8.885 2.705 1.00 0.00 C ATOM 640 CG GLN A 47 2.916 -10.194 3.313 1.00 0.00 C ATOM 641 CD GLN A 47 2.110 -10.600 4.531 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.481 -11.658 4.548 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.126 -9.758 5.558 1.00 0.00 N ATOM 0 H GLN A 47 2.077 -10.354 0.713 1.00 0.00 H new ATOM 0 HA GLN A 47 0.317 -9.227 2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.189 -8.523 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.350 -8.138 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.856 -10.982 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.965 -10.098 3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.662 -8.892 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.603 -9.977 6.406 1.00 0.00 H new ATOM 652 N TRP A 48 -0.068 -6.874 1.963 1.00 0.00 N ATOM 653 CA TRP A 48 -0.474 -5.582 1.422 1.00 0.00 C ATOM 654 C TRP A 48 -0.317 -4.482 2.467 1.00 0.00 C ATOM 655 O TRP A 48 -0.037 -4.755 3.634 1.00 0.00 O ATOM 656 CB TRP A 48 -1.923 -5.641 0.940 1.00 0.00 C ATOM 657 CG TRP A 48 -2.069 -6.214 -0.436 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.144 -7.534 -0.766 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.157 -5.486 -1.665 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.273 -7.675 -2.127 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.284 -6.431 -2.702 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.143 -4.127 -1.991 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.394 -6.060 -4.038 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.252 -3.759 -3.320 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.378 -4.723 -4.329 1.00 0.00 C ATOM 0 H TRP A 48 -0.466 -7.093 2.876 1.00 0.00 H new ATOM 0 HA TRP A 48 0.173 -5.350 0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.507 -6.240 1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.344 -4.636 0.953 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.107 -8.351 -0.060 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.348 -8.561 -2.627 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.049 -3.378 -1.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.489 -6.801 -4.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.240 -2.712 -3.584 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.464 -4.404 -5.357 1.00 0.00 H new ATOM 676 N ALA A 49 -0.499 -3.236 2.040 1.00 0.00 N ATOM 677 CA ALA A 49 -0.379 -2.095 2.939 1.00 0.00 C ATOM 678 C ALA A 49 -1.253 -0.935 2.475 1.00 0.00 C ATOM 679 O ALA A 49 -1.063 -0.400 1.383 1.00 0.00 O ATOM 680 CB ALA A 49 1.074 -1.656 3.041 1.00 0.00 C ATOM 0 H ALA A 49 -0.730 -2.992 1.077 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.725 -2.403 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.150 -0.803 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.676 -2.478 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.438 -1.372 2.054 1.00 0.00 H new ATOM 686 N GLY A 50 -2.210 -0.550 3.312 1.00 0.00 N ATOM 687 CA GLY A 50 -3.099 0.545 2.970 1.00 0.00 C ATOM 688 C GLY A 50 -2.492 1.900 3.271 1.00 0.00 C ATOM 689 O GLY A 50 -1.993 2.133 4.372 1.00 0.00 O ATOM 0 H GLY A 50 -2.386 -0.977 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.348 0.489 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.032 0.437 3.523 1.00 0.00 H new ATOM 693 N VAL A 51 -2.534 2.797 2.292 1.00 0.00 N ATOM 694 CA VAL A 51 -1.984 4.137 2.458 1.00 0.00 C ATOM 695 C VAL A 51 -2.984 5.201 2.019 1.00 0.00 C ATOM 696 O VAL A 51 -3.680 5.038 1.016 1.00 0.00 O ATOM 697 CB VAL A 51 -0.681 4.313 1.655 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.016 5.637 1.998 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.266 3.150 1.913 1.00 0.00 C ATOM 0 H VAL A 51 -2.943 2.620 1.375 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.769 4.260 3.519 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.929 4.322 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.903 5.743 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.692 6.457 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.219 5.661 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.181 3.291 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.508 3.107 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.212 2.218 1.612 1.00 0.00 H new ATOM 709 N VAL A 52 -3.050 6.291 2.776 1.00 0.00 N ATOM 710 CA VAL A 52 -3.965 7.383 2.465 1.00 0.00 C ATOM 711 C VAL A 52 -3.225 8.559 1.839 1.00 0.00 C ATOM 712 O VAL A 52 -2.415 9.215 2.493 1.00 0.00 O ATOM 713 CB VAL A 52 -4.707 7.871 3.725 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.791 8.871 3.354 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.295 6.693 4.488 1.00 0.00 C ATOM 0 H VAL A 52 -2.481 6.442 3.609 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.691 6.993 1.752 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.990 8.373 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.303 9.204 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.339 9.729 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.508 8.398 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.815 7.057 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.998 6.159 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.494 6.018 4.789 1.00 0.00 H new ATOM 725 N LEU A 53 -3.509 8.821 0.567 1.00 0.00 N ATOM 726 CA LEU A 53 -2.869 9.919 -0.150 1.00 0.00 C ATOM 727 C LEU A 53 -3.451 11.261 0.283 1.00 0.00 C ATOM 728 O LEU A 53 -4.606 11.344 0.698 1.00 0.00 O ATOM 729 CB LEU A 53 -3.039 9.739 -1.659 1.00 0.00 C ATOM 730 CG LEU A 53 -2.188 8.631 -2.279 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.621 8.363 -3.712 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.712 9.000 -2.227 1.00 0.00 C ATOM 0 H LEU A 53 -4.178 8.288 0.011 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.806 9.908 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.088 9.531 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.797 10.681 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.336 7.719 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.004 7.571 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.666 8.054 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.504 9.271 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.121 8.200 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.548 9.924 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.408 9.141 -1.190 1.00 0.00 H new ATOM 744 N ASP A 54 -2.641 12.310 0.183 1.00 0.00 N ATOM 745 CA ASP A 54 -3.076 13.649 0.564 1.00 0.00 C ATOM 746 C ASP A 54 -4.161 14.158 -0.380 1.00 0.00 C ATOM 747 O ASP A 54 -5.293 14.403 0.036 1.00 0.00 O ATOM 748 CB ASP A 54 -1.888 14.614 0.560 1.00 0.00 C ATOM 749 CG ASP A 54 -1.202 14.692 1.910 1.00 0.00 C ATOM 750 OD1 ASP A 54 -0.902 13.625 2.485 1.00 0.00 O ATOM 751 OD2 ASP A 54 -0.967 15.820 2.391 1.00 0.00 O ATOM 0 H ASP A 54 -1.681 12.259 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.490 13.596 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.167 14.295 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.231 15.608 0.272 1.00 0.00 H new ATOM 756 N ASP A 55 -3.808 14.313 -1.651 1.00 0.00 N ATOM 757 CA ASP A 55 -4.753 14.792 -2.654 1.00 0.00 C ATOM 758 C ASP A 55 -5.669 13.664 -3.121 1.00 0.00 C ATOM 759 O ASP A 55 -5.285 12.494 -3.105 1.00 0.00 O ATOM 760 CB ASP A 55 -4.004 15.385 -3.849 1.00 0.00 C ATOM 761 CG ASP A 55 -3.227 16.634 -3.482 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.814 17.735 -3.534 1.00 0.00 O ATOM 763 OD2 ASP A 55 -2.031 16.510 -3.144 1.00 0.00 O ATOM 0 H ASP A 55 -2.875 14.114 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.367 15.569 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.319 14.639 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.716 15.622 -4.639 1.00 0.00 H new ATOM 768 N PRO A 56 -6.899 14.002 -3.545 1.00 0.00 N ATOM 769 CA PRO A 56 -7.871 13.011 -4.018 1.00 0.00 C ATOM 770 C PRO A 56 -7.470 12.397 -5.355 1.00 0.00 C ATOM 771 O PRO A 56 -8.167 12.555 -6.358 1.00 0.00 O ATOM 772 CB PRO A 56 -9.162 13.819 -4.164 1.00 0.00 C ATOM 773 CG PRO A 56 -8.708 15.221 -4.387 1.00 0.00 C ATOM 774 CD PRO A 56 -7.438 15.373 -3.596 1.00 0.00 C ATOM 0 HA PRO A 56 -7.957 12.167 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.762 13.459 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.781 13.741 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.534 15.412 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.463 15.934 -4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.743 16.060 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.631 15.766 -2.598 1.00 0.00 H new ATOM 782 N VAL A 57 -6.342 11.695 -5.364 1.00 0.00 N ATOM 783 CA VAL A 57 -5.847 11.056 -6.578 1.00 0.00 C ATOM 784 C VAL A 57 -5.480 9.599 -6.321 1.00 0.00 C ATOM 785 O VAL A 57 -4.570 9.057 -6.949 1.00 0.00 O ATOM 786 CB VAL A 57 -4.617 11.792 -7.140 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.999 13.182 -7.621 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.515 11.865 -6.094 1.00 0.00 C ATOM 0 H VAL A 57 -5.753 11.554 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.653 11.102 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.239 11.230 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.116 13.686 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.751 13.102 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.404 13.757 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.654 12.388 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.879 12.403 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.221 10.856 -5.804 1.00 0.00 H new ATOM 798 N GLY A 58 -6.193 8.968 -5.393 1.00 0.00 N ATOM 799 CA GLY A 58 -5.927 7.579 -5.069 1.00 0.00 C ATOM 800 C GLY A 58 -6.707 6.618 -5.945 1.00 0.00 C ATOM 801 O GLY A 58 -6.745 6.772 -7.166 1.00 0.00 O ATOM 0 H GLY A 58 -6.951 9.395 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.861 7.382 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.179 7.399 -4.024 1.00 0.00 H new ATOM 805 N LYS A 59 -7.332 5.626 -5.320 1.00 0.00 N ATOM 806 CA LYS A 59 -8.115 4.635 -6.050 1.00 0.00 C ATOM 807 C LYS A 59 -9.409 4.311 -5.308 1.00 0.00 C ATOM 808 O LYS A 59 -10.496 4.694 -5.740 1.00 0.00 O ATOM 809 CB LYS A 59 -7.297 3.359 -6.258 1.00 0.00 C ATOM 810 CG LYS A 59 -6.628 3.280 -7.622 1.00 0.00 C ATOM 811 CD LYS A 59 -7.190 2.142 -8.457 1.00 0.00 C ATOM 812 CE LYS A 59 -6.105 1.465 -9.278 1.00 0.00 C ATOM 813 NZ LYS A 59 -6.631 0.935 -10.566 1.00 0.00 N ATOM 0 H LYS A 59 -7.312 5.487 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.371 5.055 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.532 3.297 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.949 2.495 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.767 4.223 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.554 3.142 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.664 1.409 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.965 2.525 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.304 2.177 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.669 0.649 -8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.860 0.481 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.377 0.237 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.024 1.717 -11.128 1.00 0.00 H new ATOM 827 N ASN A 60 -9.282 3.604 -4.190 1.00 0.00 N ATOM 828 CA ASN A 60 -10.440 3.228 -3.388 1.00 0.00 C ATOM 829 C ASN A 60 -10.704 4.261 -2.296 1.00 0.00 C ATOM 830 O ASN A 60 -9.833 5.065 -1.966 1.00 0.00 O ATOM 831 CB ASN A 60 -10.228 1.849 -2.761 1.00 0.00 C ATOM 832 CG ASN A 60 -9.772 0.818 -3.775 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.520 0.449 -4.680 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.540 0.346 -3.626 1.00 0.00 N ATOM 0 H ASN A 60 -8.389 3.280 -3.819 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.309 3.190 -4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.487 1.925 -1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.158 1.515 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.179 -0.351 -4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.955 0.681 -2.861 1.00 0.00 H new ATOM 841 N ASP A 61 -11.911 4.231 -1.741 1.00 0.00 N ATOM 842 CA ASP A 61 -12.289 5.164 -0.685 1.00 0.00 C ATOM 843 C ASP A 61 -12.266 4.481 0.678 1.00 0.00 C ATOM 844 O ASP A 61 -13.090 4.774 1.544 1.00 0.00 O ATOM 845 CB ASP A 61 -13.681 5.737 -0.958 1.00 0.00 C ATOM 846 CG ASP A 61 -14.752 4.664 -0.995 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.528 3.626 -1.652 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.812 4.861 -0.367 1.00 0.00 O ATOM 0 H ASP A 61 -12.644 3.572 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.564 5.978 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.928 6.466 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.671 6.270 -1.909 1.00 0.00 H new ATOM 853 N GLY A 62 -11.317 3.569 0.860 1.00 0.00 N ATOM 854 CA GLY A 62 -11.203 2.857 2.120 1.00 0.00 C ATOM 855 C GLY A 62 -11.669 1.419 2.017 1.00 0.00 C ATOM 856 O GLY A 62 -11.181 0.547 2.737 1.00 0.00 O ATOM 0 H GLY A 62 -10.624 3.310 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.165 2.876 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.791 3.373 2.880 1.00 0.00 H new ATOM 860 N ALA A 63 -12.617 1.169 1.120 1.00 0.00 N ATOM 861 CA ALA A 63 -13.150 -0.174 0.924 1.00 0.00 C ATOM 862 C ALA A 63 -12.727 -0.740 -0.426 1.00 0.00 C ATOM 863 O ALA A 63 -12.789 -0.053 -1.446 1.00 0.00 O ATOM 864 CB ALA A 63 -14.667 -0.161 1.041 1.00 0.00 C ATOM 0 H ALA A 63 -13.032 1.879 0.517 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.742 -0.818 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.052 -1.170 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.953 0.194 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.085 0.502 0.283 1.00 0.00 H new ATOM 870 N VAL A 64 -12.295 -1.997 -0.427 1.00 0.00 N ATOM 871 CA VAL A 64 -11.861 -2.656 -1.653 1.00 0.00 C ATOM 872 C VAL A 64 -12.592 -3.979 -1.854 1.00 0.00 C ATOM 873 O VAL A 64 -12.297 -4.970 -1.187 1.00 0.00 O ATOM 874 CB VAL A 64 -10.343 -2.918 -1.643 1.00 0.00 C ATOM 875 CG1 VAL A 64 -9.878 -3.421 -3.001 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.586 -1.660 -1.244 1.00 0.00 C ATOM 0 H VAL A 64 -12.236 -2.580 0.408 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.101 -1.982 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.132 -3.691 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.803 -3.600 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.395 -4.350 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.102 -2.674 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.515 -1.865 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.802 -0.864 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.897 -1.349 -0.247 1.00 0.00 H new ATOM 886 N GLY A 65 -13.548 -3.985 -2.777 1.00 0.00 N ATOM 887 CA GLY A 65 -14.307 -5.192 -3.049 1.00 0.00 C ATOM 888 C GLY A 65 -15.289 -5.522 -1.942 1.00 0.00 C ATOM 889 O GLY A 65 -15.625 -6.685 -1.727 1.00 0.00 O ATOM 0 H GLY A 65 -13.811 -3.177 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.849 -5.073 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.620 -6.027 -3.182 1.00 0.00 H new ATOM 893 N GLY A 66 -15.751 -4.493 -1.239 1.00 0.00 N ATOM 894 CA GLY A 66 -16.697 -4.699 -0.157 1.00 0.00 C ATOM 895 C GLY A 66 -16.026 -4.719 1.203 1.00 0.00 C ATOM 896 O GLY A 66 -16.646 -4.384 2.212 1.00 0.00 O ATOM 0 H GLY A 66 -15.488 -3.521 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.446 -3.908 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.224 -5.641 -0.313 1.00 0.00 H new ATOM 900 N VAL A 67 -14.759 -5.115 1.231 1.00 0.00 N ATOM 901 CA VAL A 67 -14.005 -5.178 2.478 1.00 0.00 C ATOM 902 C VAL A 67 -13.453 -3.808 2.857 1.00 0.00 C ATOM 903 O VAL A 67 -13.031 -3.037 1.994 1.00 0.00 O ATOM 904 CB VAL A 67 -12.837 -6.178 2.378 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.189 -6.380 3.739 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.316 -7.503 1.805 1.00 0.00 C ATOM 0 H VAL A 67 -14.232 -5.397 0.405 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.698 -5.514 3.249 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.087 -5.767 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.366 -7.089 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.808 -5.427 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.928 -6.769 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.477 -8.196 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.086 -7.922 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.729 -7.341 0.809 1.00 0.00 H new ATOM 916 N ARG A 68 -13.461 -3.511 4.153 1.00 0.00 N ATOM 917 CA ARG A 68 -12.961 -2.234 4.646 1.00 0.00 C ATOM 918 C ARG A 68 -11.722 -2.433 5.514 1.00 0.00 C ATOM 919 O ARG A 68 -11.605 -3.432 6.226 1.00 0.00 O ATOM 920 CB ARG A 68 -14.050 -1.511 5.445 1.00 0.00 C ATOM 921 CG ARG A 68 -14.294 -0.083 4.985 1.00 0.00 C ATOM 922 CD ARG A 68 -14.635 0.828 6.153 1.00 0.00 C ATOM 923 NE ARG A 68 -15.435 1.976 5.736 1.00 0.00 N ATOM 924 CZ ARG A 68 -14.949 3.010 5.054 1.00 0.00 C ATOM 925 NH1 ARG A 68 -13.667 3.043 4.709 1.00 0.00 N ATOM 926 NH2 ARG A 68 -15.746 4.014 4.714 1.00 0.00 N ATOM 0 H ARG A 68 -13.808 -4.137 4.879 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.685 -1.623 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.980 -2.073 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.771 -1.502 6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.407 0.293 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.108 -0.067 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.180 0.261 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.715 1.178 6.620 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.425 1.986 5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.050 2.273 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.300 3.838 4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.732 3.994 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.373 4.807 4.191 1.00 0.00 H new ATOM 940 N TYR A 69 -10.799 -1.479 5.449 1.00 0.00 N ATOM 941 CA TYR A 69 -9.568 -1.551 6.227 1.00 0.00 C ATOM 942 C TYR A 69 -9.417 -0.325 7.122 1.00 0.00 C ATOM 943 O TYR A 69 -9.058 -0.439 8.294 1.00 0.00 O ATOM 944 CB TYR A 69 -8.359 -1.671 5.298 1.00 0.00 C ATOM 945 CG TYR A 69 -8.469 -2.803 4.302 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.183 -2.647 3.121 1.00 0.00 C ATOM 947 CD2 TYR A 69 -7.861 -4.028 4.544 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.287 -3.679 2.208 1.00 0.00 C ATOM 949 CE2 TYR A 69 -7.960 -5.066 3.636 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.674 -4.886 2.470 1.00 0.00 C ATOM 951 OH TYR A 69 -8.776 -5.916 1.564 1.00 0.00 O ATOM 0 H TYR A 69 -10.880 -0.647 4.865 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.620 -2.436 6.861 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.233 -0.733 4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.462 -1.814 5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.665 -1.703 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.302 -4.172 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.845 -3.541 1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.481 -6.012 3.839 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.863 -5.549 0.660 1.00 0.00 H new ATOM 961 N PHE A 70 -9.695 0.848 6.561 1.00 0.00 N ATOM 962 CA PHE A 70 -9.591 2.096 7.307 1.00 0.00 C ATOM 963 C PHE A 70 -10.598 3.121 6.796 1.00 0.00 C ATOM 964 O PHE A 70 -10.801 3.258 5.590 1.00 0.00 O ATOM 965 CB PHE A 70 -8.173 2.660 7.203 1.00 0.00 C ATOM 966 CG PHE A 70 -7.689 2.813 5.789 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.010 3.942 5.052 1.00 0.00 C ATOM 968 CD2 PHE A 70 -6.915 1.827 5.198 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.567 4.084 3.750 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.470 1.965 3.896 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.796 3.095 3.172 1.00 0.00 C ATOM 0 H PHE A 70 -9.994 0.960 5.592 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.814 1.885 8.353 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.140 3.631 7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.490 2.005 7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.612 4.719 5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.657 0.942 5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.824 4.968 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.868 1.190 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.448 3.205 2.155 1.00 0.00 H new ATOM 981 N GLU A 71 -11.224 3.840 7.722 1.00 0.00 N ATOM 982 CA GLU A 71 -12.209 4.854 7.365 1.00 0.00 C ATOM 983 C GLU A 71 -11.527 6.153 6.951 1.00 0.00 C ATOM 984 O GLU A 71 -11.048 6.911 7.794 1.00 0.00 O ATOM 985 CB GLU A 71 -13.155 5.112 8.540 1.00 0.00 C ATOM 986 CG GLU A 71 -14.547 5.547 8.115 1.00 0.00 C ATOM 987 CD GLU A 71 -15.638 4.913 8.956 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.965 5.475 10.024 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.164 3.856 8.549 1.00 0.00 O ATOM 0 H GLU A 71 -11.067 3.739 8.725 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.786 4.482 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.234 4.204 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.723 5.880 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.622 6.632 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.702 5.285 7.068 1.00 0.00 H new ATOM 996 N CYS A 72 -11.488 6.406 5.647 1.00 0.00 N ATOM 997 CA CYS A 72 -10.865 7.615 5.121 1.00 0.00 C ATOM 998 C CYS A 72 -11.667 8.175 3.947 1.00 0.00 C ATOM 999 O CYS A 72 -12.539 7.499 3.402 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.430 7.324 4.680 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.197 7.556 5.982 1.00 0.00 S ATOM 0 H CYS A 72 -11.880 5.790 4.935 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.849 8.361 5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.373 6.297 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.181 7.971 3.839 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.605 6.424 6.226 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.381 9.425 3.543 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.079 10.074 2.429 1.00 0.00 C ATOM 1009 C PRO A 73 -12.076 9.218 1.167 1.00 0.00 C ATOM 1010 O PRO A 73 -11.585 8.089 1.171 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.279 11.359 2.206 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.641 11.641 3.521 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.354 10.302 4.139 1.00 0.00 C ATOM 0 HA PRO A 73 -13.132 10.247 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.532 11.229 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.926 12.179 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.724 12.217 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.302 12.230 4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.347 9.958 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.435 10.335 5.226 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.626 9.764 0.087 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.686 9.050 -1.183 1.00 0.00 C ATOM 1023 C ALA A 74 -11.537 9.460 -2.097 1.00 0.00 C ATOM 1024 O ALA A 74 -11.005 10.565 -1.986 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.021 9.303 -1.867 1.00 0.00 C ATOM 0 H ALA A 74 -13.036 10.698 0.066 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.591 7.984 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.053 8.764 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.830 8.956 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.138 10.371 -2.053 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.156 8.561 -3.000 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.068 8.831 -3.934 1.00 0.00 C ATOM 1033 C LEU A 75 -8.760 9.080 -3.189 1.00 0.00 C ATOM 1034 O LEU A 75 -7.913 9.848 -3.644 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.406 10.037 -4.810 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.803 10.013 -5.434 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.282 11.427 -5.726 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.803 9.175 -6.704 1.00 0.00 C ATOM 0 H LEU A 75 -11.584 7.641 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.943 7.954 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.308 10.942 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.669 10.104 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.492 9.559 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.277 11.390 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.319 11.997 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.593 11.908 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.804 9.168 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.102 9.601 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.503 8.154 -6.466 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.605 8.428 -2.042 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.402 8.580 -1.234 1.00 0.00 C ATOM 1052 C GLN A 76 -6.890 7.227 -0.756 1.00 0.00 C ATOM 1053 O GLN A 76 -5.691 6.951 -0.802 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.678 9.487 -0.033 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.753 10.963 -0.388 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.915 11.849 0.830 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.830 12.669 0.900 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.023 11.688 1.801 1.00 0.00 N ATOM 0 H GLN A 76 -9.298 7.789 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.634 9.038 -1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.617 9.186 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.894 9.340 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.848 11.250 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.590 11.127 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.280 10.996 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.081 12.256 2.646 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.807 6.386 -0.296 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.435 5.069 0.185 1.00 0.00 C ATOM 1069 C GLY A 77 -6.860 4.192 -0.909 1.00 0.00 C ATOM 1070 O GLY A 77 -7.587 3.431 -1.549 1.00 0.00 O ATOM 0 H GLY A 77 -8.805 6.593 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.703 5.172 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.311 4.582 0.614 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.553 4.298 -1.125 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.883 3.507 -2.150 1.00 0.00 C ATOM 1076 C ILE A 78 -4.069 2.377 -1.524 1.00 0.00 C ATOM 1077 O ILE A 78 -3.281 2.601 -0.605 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.955 4.383 -3.018 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.346 3.556 -4.152 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.861 5.010 -2.164 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.914 4.388 -5.340 1.00 0.00 C ATOM 0 H ILE A 78 -4.938 4.923 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.660 3.081 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.548 5.185 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.485 3.008 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.074 2.815 -4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.216 5.624 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.314 5.632 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.269 4.223 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.492 3.737 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.776 4.916 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.162 5.111 -5.024 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.265 1.163 -2.029 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.550 -0.001 -1.518 1.00 0.00 C ATOM 1095 C PHE A 79 -2.413 -0.396 -2.454 1.00 0.00 C ATOM 1096 O PHE A 79 -2.551 -0.336 -3.676 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.511 -1.178 -1.339 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.498 -0.983 -0.224 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.520 -0.053 -0.342 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.405 -1.727 0.940 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.430 0.129 0.682 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.313 -1.549 1.968 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.326 -0.619 1.837 1.00 0.00 C ATOM 0 H PHE A 79 -4.912 0.960 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.124 0.262 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.054 -1.338 -2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.933 -2.082 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.606 0.535 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.614 -2.455 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.222 0.856 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.230 -2.136 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.036 -0.477 2.638 1.00 0.00 H new ATOM 1113 N THR A 80 -1.290 -0.802 -1.872 1.00 0.00 N ATOM 1114 CA THR A 80 -0.127 -1.209 -2.653 1.00 0.00 C ATOM 1115 C THR A 80 0.811 -2.073 -1.817 1.00 0.00 C ATOM 1116 O THR A 80 0.647 -2.192 -0.603 1.00 0.00 O ATOM 1117 CB THR A 80 0.619 0.020 -3.174 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.753 -0.365 -3.930 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.094 0.942 -2.072 1.00 0.00 C ATOM 0 H THR A 80 -1.160 -0.858 -0.862 1.00 0.00 H new ATOM 0 HA THR A 80 -0.476 -1.798 -3.501 1.00 0.00 H new ATOM 0 HB THR A 80 -0.102 0.557 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.216 0.435 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.615 1.794 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.237 1.296 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.773 0.401 -1.412 1.00 0.00 H new ATOM 1127 N ARG A 81 1.796 -2.676 -2.476 1.00 0.00 N ATOM 1128 CA ARG A 81 2.761 -3.530 -1.792 1.00 0.00 C ATOM 1129 C ARG A 81 3.598 -2.720 -0.803 1.00 0.00 C ATOM 1130 O ARG A 81 4.063 -1.626 -1.123 1.00 0.00 O ATOM 1131 CB ARG A 81 3.676 -4.215 -2.810 1.00 0.00 C ATOM 1132 CG ARG A 81 2.933 -4.789 -4.006 1.00 0.00 C ATOM 1133 CD ARG A 81 3.700 -5.939 -4.638 1.00 0.00 C ATOM 1134 NE ARG A 81 3.291 -6.175 -6.021 1.00 0.00 N ATOM 1135 CZ ARG A 81 3.718 -5.452 -7.055 1.00 0.00 C ATOM 1136 NH1 ARG A 81 4.566 -4.448 -6.866 1.00 0.00 N ATOM 1137 NH2 ARG A 81 3.297 -5.734 -8.279 1.00 0.00 N ATOM 0 H ARG A 81 1.947 -2.589 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 81 2.210 -4.290 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.415 -3.496 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.223 -5.017 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.949 -5.136 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.774 -4.006 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.768 -5.723 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.542 -6.845 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 81 2.640 -6.938 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.894 -4.227 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.890 -3.897 -7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.646 -6.505 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.624 -5.180 -9.071 1.00 0.00 H new ATOM 1151 N PRO A 82 3.807 -3.246 0.418 1.00 0.00 N ATOM 1152 CA PRO A 82 4.596 -2.558 1.445 1.00 0.00 C ATOM 1153 C PRO A 82 5.978 -2.156 0.939 1.00 0.00 C ATOM 1154 O PRO A 82 6.432 -1.035 1.168 1.00 0.00 O ATOM 1155 CB PRO A 82 4.719 -3.598 2.560 1.00 0.00 C ATOM 1156 CG PRO A 82 3.548 -4.498 2.373 1.00 0.00 C ATOM 1157 CD PRO A 82 3.296 -4.545 0.891 1.00 0.00 C ATOM 0 HA PRO A 82 4.125 -1.628 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.657 -4.149 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.703 -3.127 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.754 -5.494 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.676 -4.119 2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.818 -5.378 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.236 -4.666 0.667 1.00 0.00 H new ATOM 1165 N SER A 83 6.640 -3.079 0.250 1.00 0.00 N ATOM 1166 CA SER A 83 7.971 -2.825 -0.288 1.00 0.00 C ATOM 1167 C SER A 83 7.943 -1.704 -1.323 1.00 0.00 C ATOM 1168 O SER A 83 8.920 -0.974 -1.487 1.00 0.00 O ATOM 1169 CB SER A 83 8.542 -4.098 -0.916 1.00 0.00 C ATOM 1170 OG SER A 83 7.579 -4.739 -1.736 1.00 0.00 O ATOM 0 H SER A 83 6.276 -4.011 0.051 1.00 0.00 H new ATOM 0 HA SER A 83 8.611 -2.513 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.423 -3.851 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.867 -4.780 -0.131 1.00 0.00 H new ATOM 0 HG SER A 83 7.969 -5.549 -2.127 1.00 0.00 H new ATOM 1176 N LYS A 84 6.818 -1.573 -2.020 1.00 0.00 N ATOM 1177 CA LYS A 84 6.670 -0.539 -3.040 1.00 0.00 C ATOM 1178 C LYS A 84 6.661 0.853 -2.412 1.00 0.00 C ATOM 1179 O LYS A 84 6.998 1.840 -3.068 1.00 0.00 O ATOM 1180 CB LYS A 84 5.385 -0.759 -3.840 1.00 0.00 C ATOM 1181 CG LYS A 84 5.479 -1.903 -4.839 1.00 0.00 C ATOM 1182 CD LYS A 84 5.773 -1.397 -6.242 1.00 0.00 C ATOM 1183 CE LYS A 84 7.267 -1.235 -6.476 1.00 0.00 C ATOM 1184 NZ LYS A 84 7.696 0.187 -6.369 1.00 0.00 N ATOM 0 H LYS A 84 5.998 -2.167 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 84 7.524 -0.607 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.566 -0.957 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.137 0.159 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.263 -2.594 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.543 -2.462 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.363 -2.093 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.274 -0.440 -6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.815 -1.835 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.523 -1.618 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.735 0.236 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.341 0.719 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.313 0.600 -5.495 1.00 0.00 H new ATOM 1198 N LEU A 85 6.275 0.928 -1.142 1.00 0.00 N ATOM 1199 CA LEU A 85 6.225 2.202 -0.435 1.00 0.00 C ATOM 1200 C LEU A 85 7.631 2.708 -0.128 1.00 0.00 C ATOM 1201 O LEU A 85 8.560 1.921 0.054 1.00 0.00 O ATOM 1202 CB LEU A 85 5.429 2.059 0.864 1.00 0.00 C ATOM 1203 CG LEU A 85 4.039 1.438 0.707 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.464 1.070 2.065 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.110 2.394 -0.027 1.00 0.00 C ATOM 0 H LEU A 85 5.993 0.123 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 85 5.728 2.927 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.006 1.450 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.321 3.045 1.316 1.00 0.00 H new ATOM 0 HG LEU A 85 4.132 0.527 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.475 0.630 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.120 0.350 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.384 1.966 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.126 1.937 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.022 3.322 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.516 2.609 -1.016 1.00 0.00 H new ATOM 1217 N THR A 86 7.780 4.028 -0.075 1.00 0.00 N ATOM 1218 CA THR A 86 9.072 4.641 0.209 1.00 0.00 C ATOM 1219 C THR A 86 8.926 5.776 1.216 1.00 0.00 C ATOM 1220 O THR A 86 7.816 6.124 1.618 1.00 0.00 O ATOM 1221 CB THR A 86 9.704 5.166 -1.081 1.00 0.00 C ATOM 1222 OG1 THR A 86 8.789 5.979 -1.792 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.163 4.067 -2.014 1.00 0.00 C ATOM 0 H THR A 86 7.022 4.693 -0.225 1.00 0.00 H new ATOM 0 HA THR A 86 9.721 3.879 0.640 1.00 0.00 H new ATOM 0 HB THR A 86 10.576 5.737 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.989 5.457 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.601 4.509 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.908 3.451 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.311 3.449 -2.295 1.00 0.00 H new ATOM 1231 N ARG A 87 10.054 6.352 1.620 1.00 0.00 N ATOM 1232 CA ARG A 87 10.052 7.449 2.580 1.00 0.00 C ATOM 1233 C ARG A 87 10.633 8.719 1.964 1.00 0.00 C ATOM 1234 O ARG A 87 11.102 9.606 2.678 1.00 0.00 O ATOM 1235 CB ARG A 87 10.849 7.064 3.827 1.00 0.00 C ATOM 1236 CG ARG A 87 10.099 6.128 4.763 1.00 0.00 C ATOM 1237 CD ARG A 87 11.045 5.416 5.717 1.00 0.00 C ATOM 1238 NE ARG A 87 11.084 6.056 7.029 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.809 5.608 8.051 1.00 0.00 C ATOM 1240 NH1 ARG A 87 12.557 4.521 7.917 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.787 6.252 9.211 1.00 0.00 N ATOM 0 H ARG A 87 10.981 6.077 1.297 1.00 0.00 H new ATOM 0 HA ARG A 87 9.018 7.646 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.781 6.588 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.118 7.970 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.364 6.695 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.548 5.391 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.733 4.378 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.048 5.403 5.290 1.00 0.00 H new ATOM 0 HE ARG A 87 10.523 6.896 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.579 4.023 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.111 4.183 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.215 7.089 9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.342 5.910 9.995 1.00 0.00 H new ATOM 1255 N GLN A 88 10.598 8.802 0.637 1.00 0.00 N ATOM 1256 CA GLN A 88 11.120 9.966 -0.071 1.00 0.00 C ATOM 1257 C GLN A 88 10.433 10.132 -1.425 1.00 0.00 C ATOM 1258 O GLN A 88 9.899 9.173 -1.980 1.00 0.00 O ATOM 1259 CB GLN A 88 12.633 9.835 -0.266 1.00 0.00 C ATOM 1260 CG GLN A 88 13.449 10.497 0.834 1.00 0.00 C ATOM 1261 CD GLN A 88 13.980 11.857 0.428 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.518 12.026 -0.666 1.00 0.00 O ATOM 1263 NE2 GLN A 88 13.832 12.838 1.312 1.00 0.00 N ATOM 0 H GLN A 88 10.214 8.077 0.031 1.00 0.00 H new ATOM 0 HA GLN A 88 10.914 10.850 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.894 8.778 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.907 10.275 -1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.831 10.604 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.284 9.850 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.380 12.654 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.171 13.775 1.095 1.00 0.00 H new ATOM 1272 N PRO A 89 10.437 11.359 -1.974 1.00 0.00 N ATOM 1273 CA PRO A 89 9.811 11.646 -3.269 1.00 0.00 C ATOM 1274 C PRO A 89 10.583 11.037 -4.435 1.00 0.00 C ATOM 1275 O PRO A 89 11.090 11.751 -5.300 1.00 0.00 O ATOM 1276 CB PRO A 89 9.838 13.173 -3.345 1.00 0.00 C ATOM 1277 CG PRO A 89 10.988 13.573 -2.488 1.00 0.00 C ATOM 1278 CD PRO A 89 11.051 12.560 -1.379 1.00 0.00 C ATOM 0 HA PRO A 89 8.810 11.221 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.970 13.516 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.905 13.604 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.916 13.583 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.847 14.578 -2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.078 12.372 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.504 12.895 -0.498 1.00 0.00 H new ATOM 1286 N SER A 90 10.667 9.710 -4.452 1.00 0.00 N ATOM 1287 CA SER A 90 11.376 9.001 -5.511 1.00 0.00 C ATOM 1288 C SER A 90 12.838 9.434 -5.574 1.00 0.00 C ATOM 1289 O SER A 90 13.149 10.546 -6.003 1.00 0.00 O ATOM 1290 CB SER A 90 10.698 9.247 -6.861 1.00 0.00 C ATOM 1291 OG SER A 90 11.125 10.473 -7.433 1.00 0.00 O ATOM 0 H SER A 90 10.252 9.104 -3.744 1.00 0.00 H new ATOM 0 HA SER A 90 11.343 7.935 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.927 8.426 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.616 9.261 -6.730 1.00 0.00 H new ATOM 0 HG SER A 90 11.576 11.013 -6.751 1.00 0.00 H new ATOM 1297 N GLY A 91 13.731 8.549 -5.143 1.00 0.00 N ATOM 1298 CA GLY A 91 15.148 8.857 -5.158 1.00 0.00 C ATOM 1299 C GLY A 91 15.881 8.165 -6.293 1.00 0.00 C ATOM 1300 O GLY A 91 16.236 8.803 -7.284 1.00 0.00 O ATOM 0 H GLY A 91 13.498 7.623 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.281 9.935 -5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.591 8.559 -4.208 1.00 0.00 H new ATOM 1304 N PRO A 92 16.122 6.849 -6.176 1.00 0.00 N ATOM 1305 CA PRO A 92 16.821 6.079 -7.209 1.00 0.00 C ATOM 1306 C PRO A 92 15.975 5.896 -8.466 1.00 0.00 C ATOM 1307 O PRO A 92 15.089 5.043 -8.511 1.00 0.00 O ATOM 1308 CB PRO A 92 17.077 4.730 -6.536 1.00 0.00 C ATOM 1309 CG PRO A 92 16.003 4.610 -5.511 1.00 0.00 C ATOM 1310 CD PRO A 92 15.734 6.008 -5.028 1.00 0.00 C ATOM 0 HA PRO A 92 17.728 6.580 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 92 17.031 3.913 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 92 18.066 4.697 -6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.104 4.165 -5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.318 3.967 -4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.685 6.147 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.320 6.246 -4.140 1.00 0.00 H new ATOM 1318 N SER A 93 16.255 6.702 -9.485 1.00 0.00 N ATOM 1319 CA SER A 93 15.519 6.629 -10.741 1.00 0.00 C ATOM 1320 C SER A 93 16.185 5.651 -11.704 1.00 0.00 C ATOM 1321 O SER A 93 17.091 6.020 -12.451 1.00 0.00 O ATOM 1322 CB SER A 93 15.426 8.013 -11.384 1.00 0.00 C ATOM 1323 OG SER A 93 14.814 7.944 -12.660 1.00 0.00 O ATOM 0 H SER A 93 16.986 7.413 -9.465 1.00 0.00 H new ATOM 0 HA SER A 93 14.513 6.270 -10.524 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.854 8.679 -10.739 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.424 8.441 -11.479 1.00 0.00 H new ATOM 0 HG SER A 93 14.765 8.842 -13.049 1.00 0.00 H new ATOM 1329 N SER A 94 15.727 4.403 -11.682 1.00 0.00 N ATOM 1330 CA SER A 94 16.278 3.372 -12.555 1.00 0.00 C ATOM 1331 C SER A 94 15.166 2.517 -13.154 1.00 0.00 C ATOM 1332 O SER A 94 14.913 2.565 -14.358 1.00 0.00 O ATOM 1333 CB SER A 94 17.256 2.488 -11.779 1.00 0.00 C ATOM 1334 OG SER A 94 18.360 2.118 -12.585 1.00 0.00 O ATOM 0 H SER A 94 14.977 4.082 -11.070 1.00 0.00 H new ATOM 0 HA SER A 94 16.811 3.865 -13.368 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.609 3.020 -10.896 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.742 1.593 -11.428 1.00 0.00 H new ATOM 0 HG SER A 94 18.971 1.555 -12.065 1.00 0.00 H new ATOM 1340 N GLY A 95 14.508 1.733 -12.307 1.00 0.00 N ATOM 1341 CA GLY A 95 13.432 0.879 -12.772 1.00 0.00 C ATOM 1342 C GLY A 95 13.941 -0.347 -13.506 1.00 0.00 C ATOM 1343 O GLY A 95 15.108 -0.330 -13.950 1.00 0.00 O ATOM 1344 OXT GLY A 95 13.173 -1.324 -13.635 1.00 0.00 O ATOM 0 H GLY A 95 14.701 1.674 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.828 0.565 -11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.779 1.449 -13.433 1.00 0.00 H new TER 1348 GLY A 95