USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 711 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 16 ASN : amide:sc= -1.89 K(o=-3.9,f=-8!) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 55 THR OG1 : rot -169:sc= -0.846 USER MOD Set 1.4: A 87 GLN : amide:sc= -1.15 K(o=-3.9,f=-13!) USER MOD Set 2.1: A 25 MET CE :methyl 169:sc= -1.53 (180deg=-2.14) USER MOD Set 2.2: A 45 MET CE :methyl -116:sc= -4.23 (180deg=-5.15!) USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 51 CYS SG : rot 106:sc= -1.32 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=0.000336 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0752) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00441 X(o=-0.0044,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 144:sc= -1.22! USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 1.19 (180deg=-0.137) USER MOD Single : A 59 MET CE :methyl 180:sc= -0.0952 (180deg=-0.0952) USER MOD Single : A 61 SER OG : rot 170:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.2!) USER MOD Single : A 70 ASN : amide:sc= -0.0091 X(o=-0.0091,f=-0.0091) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.5!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.48) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0362) USER MOD Single : A 89 MET CE :methyl 149:sc= -0.483 (180deg=-1.67!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.716 20.603 12.822 1.00 0.00 N ATOM 2 CA GLY A 1 -21.717 19.550 12.790 1.00 0.00 C ATOM 3 C GLY A 1 -20.497 19.933 11.976 1.00 0.00 C ATOM 4 O GLY A 1 -20.586 20.124 10.763 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.530 20.292 13.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.304 21.459 13.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.031 20.813 11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.410 19.313 13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.160 18.646 12.372 1.00 0.00 H new ATOM 8 N SER A 2 -19.354 20.048 12.645 1.00 0.00 N ATOM 9 CA SER A 2 -18.111 20.417 11.977 1.00 0.00 C ATOM 10 C SER A 2 -17.155 19.229 11.916 1.00 0.00 C ATOM 11 O SER A 2 -16.564 18.841 12.923 1.00 0.00 O ATOM 12 CB SER A 2 -17.444 21.586 12.704 1.00 0.00 C ATOM 13 OG SER A 2 -18.236 22.758 12.618 1.00 0.00 O ATOM 0 H SER A 2 -19.263 19.891 13.649 1.00 0.00 H new ATOM 0 HA SER A 2 -18.351 20.722 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.287 21.325 13.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.461 21.775 12.271 1.00 0.00 H new ATOM 0 HG SER A 2 -17.789 23.490 13.092 1.00 0.00 H new ATOM 19 N SER A 3 -17.009 18.657 10.725 1.00 0.00 N ATOM 20 CA SER A 3 -16.127 17.511 10.531 1.00 0.00 C ATOM 21 C SER A 3 -15.688 17.405 9.074 1.00 0.00 C ATOM 22 O SER A 3 -16.483 17.068 8.197 1.00 0.00 O ATOM 23 CB SER A 3 -16.831 16.222 10.959 1.00 0.00 C ATOM 24 OG SER A 3 -15.896 15.256 11.407 1.00 0.00 O ATOM 0 H SER A 3 -17.489 18.968 9.881 1.00 0.00 H new ATOM 0 HA SER A 3 -15.241 17.655 11.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.543 16.440 11.755 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.401 15.820 10.122 1.00 0.00 H new ATOM 0 HG SER A 3 -16.370 14.442 11.677 1.00 0.00 H new ATOM 30 N GLY A 4 -14.415 17.695 8.823 1.00 0.00 N ATOM 31 CA GLY A 4 -13.891 17.626 7.471 1.00 0.00 C ATOM 32 C GLY A 4 -12.442 17.183 7.433 1.00 0.00 C ATOM 33 O GLY A 4 -12.038 16.292 8.181 1.00 0.00 O ATOM 0 H GLY A 4 -13.737 17.976 9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.495 16.933 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.981 18.605 6.999 1.00 0.00 H new ATOM 37 N SER A 5 -11.657 17.806 6.559 1.00 0.00 N ATOM 38 CA SER A 5 -10.245 17.466 6.423 1.00 0.00 C ATOM 39 C SER A 5 -9.381 18.382 7.284 1.00 0.00 C ATOM 40 O SER A 5 -9.803 19.473 7.667 1.00 0.00 O ATOM 41 CB SER A 5 -9.814 17.568 4.959 1.00 0.00 C ATOM 42 OG SER A 5 -10.148 18.834 4.415 1.00 0.00 O ATOM 0 H SER A 5 -11.974 18.548 5.935 1.00 0.00 H new ATOM 0 HA SER A 5 -10.108 16.440 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.739 17.408 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.296 16.781 4.379 1.00 0.00 H new ATOM 0 HG SER A 5 -9.860 18.874 3.479 1.00 0.00 H new ATOM 48 N SER A 6 -8.168 17.929 7.586 1.00 0.00 N ATOM 49 CA SER A 6 -7.244 18.705 8.405 1.00 0.00 C ATOM 50 C SER A 6 -6.173 19.362 7.541 1.00 0.00 C ATOM 51 O SER A 6 -5.509 18.700 6.745 1.00 0.00 O ATOM 52 CB SER A 6 -6.588 17.809 9.458 1.00 0.00 C ATOM 53 OG SER A 6 -7.563 17.191 10.281 1.00 0.00 O ATOM 0 H SER A 6 -7.802 17.029 7.276 1.00 0.00 H new ATOM 0 HA SER A 6 -7.812 19.489 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.986 17.045 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.911 18.401 10.073 1.00 0.00 H new ATOM 0 HG SER A 6 -7.119 16.623 10.944 1.00 0.00 H new ATOM 59 N GLY A 7 -6.010 20.672 7.706 1.00 0.00 N ATOM 60 CA GLY A 7 -5.018 21.398 6.935 1.00 0.00 C ATOM 61 C GLY A 7 -5.639 22.240 5.838 1.00 0.00 C ATOM 62 O GLY A 7 -6.683 21.886 5.292 1.00 0.00 O ATOM 0 H GLY A 7 -6.547 21.242 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.444 22.041 7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.317 20.690 6.493 1.00 0.00 H new ATOM 66 N GLU A 8 -4.996 23.358 5.516 1.00 0.00 N ATOM 67 CA GLU A 8 -5.494 24.253 4.478 1.00 0.00 C ATOM 68 C GLU A 8 -5.068 23.771 3.094 1.00 0.00 C ATOM 69 O GLU A 8 -3.908 23.909 2.707 1.00 0.00 O ATOM 70 CB GLU A 8 -4.985 25.676 4.713 1.00 0.00 C ATOM 71 CG GLU A 8 -5.679 26.721 3.855 1.00 0.00 C ATOM 72 CD GLU A 8 -7.133 26.917 4.238 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.912 25.948 4.123 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.491 28.040 4.652 1.00 0.00 O ATOM 0 H GLU A 8 -4.130 23.665 5.959 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.583 24.252 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.121 25.932 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.914 25.707 4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.152 27.670 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.620 26.424 2.808 1.00 0.00 H new ATOM 81 N ARG A 9 -6.016 23.205 2.354 1.00 0.00 N ATOM 82 CA ARG A 9 -5.739 22.701 1.014 1.00 0.00 C ATOM 83 C ARG A 9 -4.326 22.133 0.927 1.00 0.00 C ATOM 84 O ARG A 9 -3.604 22.382 -0.039 1.00 0.00 O ATOM 85 CB ARG A 9 -5.917 23.815 -0.020 1.00 0.00 C ATOM 86 CG ARG A 9 -4.987 24.998 0.194 1.00 0.00 C ATOM 87 CD ARG A 9 -5.454 26.221 -0.580 1.00 0.00 C ATOM 88 NE ARG A 9 -4.353 27.132 -0.880 1.00 0.00 N ATOM 89 CZ ARG A 9 -4.523 28.414 -1.183 1.00 0.00 C ATOM 90 NH1 ARG A 9 -5.742 28.934 -1.224 1.00 0.00 N ATOM 91 NH2 ARG A 9 -3.471 29.180 -1.444 1.00 0.00 N ATOM 0 H ARG A 9 -6.982 23.084 2.659 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.447 21.900 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.747 23.406 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.949 24.165 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.937 25.236 1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.978 24.731 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.925 25.903 -1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.213 26.748 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.402 26.764 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.553 28.349 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.869 29.919 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.531 28.784 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.602 30.164 -1.677 1.00 0.00 H new ATOM 105 N ARG A 10 -3.937 21.369 1.943 1.00 0.00 N ATOM 106 CA ARG A 10 -2.610 20.767 1.983 1.00 0.00 C ATOM 107 C ARG A 10 -2.703 19.244 1.973 1.00 0.00 C ATOM 108 O ARG A 10 -3.371 18.648 2.817 1.00 0.00 O ATOM 109 CB ARG A 10 -1.852 21.234 3.227 1.00 0.00 C ATOM 110 CG ARG A 10 -0.345 21.293 3.036 1.00 0.00 C ATOM 111 CD ARG A 10 0.377 21.478 4.361 1.00 0.00 C ATOM 112 NE ARG A 10 0.108 20.383 5.290 1.00 0.00 N ATOM 113 CZ ARG A 10 -0.921 20.368 6.130 1.00 0.00 C ATOM 114 NH1 ARG A 10 -1.773 21.384 6.158 1.00 0.00 N ATOM 115 NH2 ARG A 10 -1.100 19.336 6.944 1.00 0.00 N ATOM 0 H ARG A 10 -4.523 21.152 2.750 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.067 21.086 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.213 22.222 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.079 20.561 4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.001 20.376 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.094 22.115 2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.450 21.546 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.069 22.421 4.813 1.00 0.00 H new ATOM 0 HE ARG A 10 0.745 19.586 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.639 22.179 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.562 21.370 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.447 18.553 6.925 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.891 19.326 7.588 1.00 0.00 H new ATOM 129 N ALA A 11 -2.029 18.622 1.011 1.00 0.00 N ATOM 130 CA ALA A 11 -2.035 17.169 0.892 1.00 0.00 C ATOM 131 C ALA A 11 -0.626 16.632 0.665 1.00 0.00 C ATOM 132 O ALA A 11 0.234 17.300 0.091 1.00 0.00 O ATOM 133 CB ALA A 11 -2.955 16.736 -0.240 1.00 0.00 C ATOM 0 H ALA A 11 -1.472 19.101 0.303 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.408 16.754 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.950 15.649 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.969 17.080 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.606 17.168 -1.178 1.00 0.00 H new ATOM 139 N PRO A 12 -0.382 15.396 1.126 1.00 0.00 N ATOM 140 CA PRO A 12 0.922 14.742 0.985 1.00 0.00 C ATOM 141 C PRO A 12 1.231 14.369 -0.461 1.00 0.00 C ATOM 142 O PRO A 12 0.751 13.354 -0.966 1.00 0.00 O ATOM 143 CB PRO A 12 0.782 13.482 1.843 1.00 0.00 C ATOM 144 CG PRO A 12 -0.681 13.202 1.868 1.00 0.00 C ATOM 145 CD PRO A 12 -1.361 14.542 1.820 1.00 0.00 C ATOM 0 HA PRO A 12 1.740 15.395 1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.338 12.648 1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.172 13.642 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.975 12.585 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.958 12.656 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.307 14.494 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.583 14.916 2.819 1.00 0.00 H new ATOM 153 N ARG A 13 2.033 15.197 -1.123 1.00 0.00 N ATOM 154 CA ARG A 13 2.405 14.954 -2.511 1.00 0.00 C ATOM 155 C ARG A 13 3.399 13.801 -2.615 1.00 0.00 C ATOM 156 O ARG A 13 3.188 12.850 -3.367 1.00 0.00 O ATOM 157 CB ARG A 13 3.006 16.217 -3.129 1.00 0.00 C ATOM 158 CG ARG A 13 3.214 16.121 -4.632 1.00 0.00 C ATOM 159 CD ARG A 13 3.754 17.422 -5.204 1.00 0.00 C ATOM 160 NE ARG A 13 4.583 17.199 -6.385 1.00 0.00 N ATOM 161 CZ ARG A 13 5.065 18.179 -7.141 1.00 0.00 C ATOM 162 NH1 ARG A 13 4.802 19.443 -6.840 1.00 0.00 N ATOM 163 NH2 ARG A 13 5.812 17.895 -8.200 1.00 0.00 N ATOM 0 H ARG A 13 2.437 16.042 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 13 1.503 14.683 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.352 17.062 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.963 16.425 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.907 15.310 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.269 15.874 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.922 18.077 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.339 17.937 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 13 4.804 16.238 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.228 19.665 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.173 20.194 -7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.017 16.924 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.182 18.648 -8.780 1.00 0.00 H new ATOM 177 N LYS A 14 4.484 13.893 -1.853 1.00 0.00 N ATOM 178 CA LYS A 14 5.512 12.859 -1.858 1.00 0.00 C ATOM 179 C LYS A 14 4.938 11.519 -1.406 1.00 0.00 C ATOM 180 O LYS A 14 3.942 11.471 -0.685 1.00 0.00 O ATOM 181 CB LYS A 14 6.674 13.261 -0.946 1.00 0.00 C ATOM 182 CG LYS A 14 7.221 14.648 -1.235 1.00 0.00 C ATOM 183 CD LYS A 14 7.972 14.687 -2.556 1.00 0.00 C ATOM 184 CE LYS A 14 7.047 15.035 -3.713 1.00 0.00 C ATOM 185 NZ LYS A 14 6.976 16.504 -3.943 1.00 0.00 N ATOM 0 H LYS A 14 4.674 14.673 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 14 5.879 12.752 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.342 13.219 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.478 12.533 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.401 15.366 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.887 14.953 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.775 15.421 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.438 13.719 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.398 14.542 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.048 14.651 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.568 16.689 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.378 16.941 -3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.932 16.910 -3.895 1.00 0.00 H new ATOM 199 N GLY A 15 5.575 10.433 -1.833 1.00 0.00 N ATOM 200 CA GLY A 15 5.113 9.108 -1.461 1.00 0.00 C ATOM 201 C GLY A 15 5.884 8.008 -2.163 1.00 0.00 C ATOM 202 O GLY A 15 5.551 7.626 -3.285 1.00 0.00 O ATOM 0 H GLY A 15 6.402 10.447 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.208 8.983 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.054 9.015 -1.701 1.00 0.00 H new ATOM 206 N ASN A 16 6.918 7.497 -1.503 1.00 0.00 N ATOM 207 CA ASN A 16 7.739 6.435 -2.072 1.00 0.00 C ATOM 208 C ASN A 16 7.478 5.108 -1.366 1.00 0.00 C ATOM 209 O ASN A 16 7.421 4.054 -2.001 1.00 0.00 O ATOM 210 CB ASN A 16 9.222 6.798 -1.968 1.00 0.00 C ATOM 211 CG ASN A 16 9.723 6.779 -0.537 1.00 0.00 C ATOM 212 OD1 ASN A 16 9.049 7.258 0.375 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.912 6.223 -0.333 1.00 0.00 N ATOM 0 H ASN A 16 7.207 7.801 -0.573 1.00 0.00 H new ATOM 0 HA ASN A 16 7.471 6.326 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.807 6.098 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.381 7.789 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.300 6.181 0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.437 5.838 -1.119 1.00 0.00 H new ATOM 220 N THR A 17 7.319 5.166 -0.047 1.00 0.00 N ATOM 221 CA THR A 17 7.065 3.970 0.746 1.00 0.00 C ATOM 222 C THR A 17 5.571 3.682 0.842 1.00 0.00 C ATOM 223 O THR A 17 4.744 4.583 0.695 1.00 0.00 O ATOM 224 CB THR A 17 7.643 4.105 2.167 1.00 0.00 C ATOM 225 OG1 THR A 17 8.979 4.617 2.106 1.00 0.00 O ATOM 226 CG2 THR A 17 7.641 2.762 2.881 1.00 0.00 C ATOM 0 H THR A 17 7.362 6.029 0.494 1.00 0.00 H new ATOM 0 HA THR A 17 7.560 3.142 0.238 1.00 0.00 H new ATOM 0 HB THR A 17 7.015 4.798 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.339 4.701 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.054 2.882 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.619 2.389 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.249 2.051 2.321 1.00 0.00 H new ATOM 234 N LEU A 18 5.231 2.422 1.090 1.00 0.00 N ATOM 235 CA LEU A 18 3.835 2.015 1.206 1.00 0.00 C ATOM 236 C LEU A 18 3.653 1.017 2.346 1.00 0.00 C ATOM 237 O LEU A 18 4.356 0.008 2.420 1.00 0.00 O ATOM 238 CB LEU A 18 3.351 1.400 -0.108 1.00 0.00 C ATOM 239 CG LEU A 18 3.837 2.082 -1.387 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.564 1.203 -2.598 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.173 3.441 -1.552 1.00 0.00 C ATOM 0 H LEU A 18 5.903 1.665 1.215 1.00 0.00 H new ATOM 0 HA LEU A 18 3.240 2.902 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.665 0.356 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.261 1.405 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 18 4.914 2.233 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.917 1.705 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.087 0.253 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.493 1.020 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.531 3.912 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.092 3.313 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.420 4.073 -0.699 1.00 0.00 H new ATOM 253 N TYR A 19 2.704 1.303 3.230 1.00 0.00 N ATOM 254 CA TYR A 19 2.429 0.431 4.366 1.00 0.00 C ATOM 255 C TYR A 19 1.545 -0.741 3.951 1.00 0.00 C ATOM 256 O TYR A 19 0.357 -0.571 3.674 1.00 0.00 O ATOM 257 CB TYR A 19 1.755 1.220 5.490 1.00 0.00 C ATOM 258 CG TYR A 19 1.843 0.545 6.840 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.957 -0.465 7.192 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.813 0.918 7.763 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.033 -1.084 8.425 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.897 0.303 8.997 1.00 0.00 C ATOM 263 CZ TYR A 19 2.005 -0.696 9.324 1.00 0.00 C ATOM 264 OH TYR A 19 2.085 -1.311 10.552 1.00 0.00 O ATOM 0 H TYR A 19 2.112 2.132 3.182 1.00 0.00 H new ATOM 0 HA TYR A 19 3.379 0.036 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.214 2.207 5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.706 1.373 5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.196 -0.772 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.512 1.701 7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.336 -1.867 8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.658 0.603 9.702 1.00 0.00 H new ATOM 0 HH TYR A 19 2.824 -0.922 11.065 1.00 0.00 H new ATOM 274 N VAL A 20 2.133 -1.932 3.910 1.00 0.00 N ATOM 275 CA VAL A 20 1.400 -3.134 3.531 1.00 0.00 C ATOM 276 C VAL A 20 1.173 -4.042 4.735 1.00 0.00 C ATOM 277 O VAL A 20 2.008 -4.114 5.637 1.00 0.00 O ATOM 278 CB VAL A 20 2.145 -3.925 2.439 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.278 -5.060 1.916 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.568 -3.000 1.307 1.00 0.00 C ATOM 0 H VAL A 20 3.115 -2.090 4.135 1.00 0.00 H new ATOM 0 HA VAL A 20 0.437 -2.807 3.139 1.00 0.00 H new ATOM 0 HB VAL A 20 3.043 -4.359 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.821 -5.607 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.030 -5.736 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.360 -4.652 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.093 -3.575 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.685 -2.535 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.229 -2.226 1.697 1.00 0.00 H new ATOM 290 N TYR A 21 0.040 -4.734 4.741 1.00 0.00 N ATOM 291 CA TYR A 21 -0.299 -5.636 5.836 1.00 0.00 C ATOM 292 C TYR A 21 -1.014 -6.879 5.315 1.00 0.00 C ATOM 293 O TYR A 21 -2.097 -6.790 4.737 1.00 0.00 O ATOM 294 CB TYR A 21 -1.178 -4.920 6.862 1.00 0.00 C ATOM 295 CG TYR A 21 -1.767 -5.843 7.905 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.874 -6.632 7.616 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.217 -5.926 9.178 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.415 -7.477 8.565 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.751 -6.769 10.133 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.851 -7.542 9.822 1.00 0.00 C ATOM 301 OH TYR A 21 -3.387 -8.382 10.771 1.00 0.00 O ATOM 0 H TYR A 21 -0.660 -4.688 4.000 1.00 0.00 H new ATOM 0 HA TYR A 21 0.628 -5.947 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.587 -4.152 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.988 -4.410 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.319 -6.584 6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.357 -5.321 9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.275 -8.084 8.324 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.310 -6.823 11.117 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.871 -8.309 11.601 1.00 0.00 H new ATOM 311 N GLY A 22 -0.401 -8.039 5.526 1.00 0.00 N ATOM 312 CA GLY A 22 -0.993 -9.285 5.074 1.00 0.00 C ATOM 313 C GLY A 22 -1.028 -10.339 6.162 1.00 0.00 C ATOM 314 O GLY A 22 -0.673 -10.068 7.308 1.00 0.00 O ATOM 0 H GLY A 22 0.496 -8.139 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.008 -9.095 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.427 -9.665 4.223 1.00 0.00 H new ATOM 318 N GLU A 23 -1.459 -11.544 5.802 1.00 0.00 N ATOM 319 CA GLU A 23 -1.541 -12.642 6.759 1.00 0.00 C ATOM 320 C GLU A 23 -0.612 -13.784 6.357 1.00 0.00 C ATOM 321 O GLU A 23 0.402 -14.033 7.010 1.00 0.00 O ATOM 322 CB GLU A 23 -2.980 -13.152 6.861 1.00 0.00 C ATOM 323 CG GLU A 23 -4.024 -12.053 6.755 1.00 0.00 C ATOM 324 CD GLU A 23 -4.020 -11.373 5.400 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.103 -12.085 4.378 1.00 0.00 O ATOM 326 OE2 GLU A 23 -3.934 -10.127 5.363 1.00 0.00 O ATOM 0 H GLU A 23 -1.756 -11.785 4.856 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.226 -12.266 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.154 -13.884 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.106 -13.671 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.011 -12.476 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.843 -11.309 7.531 1.00 0.00 H new ATOM 333 N ASP A 24 -0.966 -14.476 5.279 1.00 0.00 N ATOM 334 CA ASP A 24 -0.165 -15.591 4.789 1.00 0.00 C ATOM 335 C ASP A 24 0.642 -15.183 3.561 1.00 0.00 C ATOM 336 O ASP A 24 0.588 -15.841 2.523 1.00 0.00 O ATOM 337 CB ASP A 24 -1.064 -16.782 4.451 1.00 0.00 C ATOM 338 CG ASP A 24 -1.384 -17.629 5.667 1.00 0.00 C ATOM 339 OD1 ASP A 24 -0.618 -18.575 5.950 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.399 -17.347 6.336 1.00 0.00 O ATOM 0 H ASP A 24 -1.803 -14.284 4.728 1.00 0.00 H new ATOM 0 HA ASP A 24 0.530 -15.881 5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.992 -16.419 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.575 -17.401 3.699 1.00 0.00 H new ATOM 345 N MET A 25 1.390 -14.091 3.687 1.00 0.00 N ATOM 346 CA MET A 25 2.209 -13.595 2.588 1.00 0.00 C ATOM 347 C MET A 25 3.682 -13.554 2.982 1.00 0.00 C ATOM 348 O MET A 25 4.018 -13.360 4.150 1.00 0.00 O ATOM 349 CB MET A 25 1.743 -12.200 2.166 1.00 0.00 C ATOM 350 CG MET A 25 1.210 -11.363 3.317 1.00 0.00 C ATOM 351 SD MET A 25 2.442 -11.089 4.605 1.00 0.00 S ATOM 352 CE MET A 25 2.641 -9.311 4.510 1.00 0.00 C ATOM 0 H MET A 25 1.445 -13.533 4.539 1.00 0.00 H new ATOM 0 HA MET A 25 2.096 -14.279 1.747 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.576 -11.673 1.700 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.965 -12.299 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.870 -10.401 2.934 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.341 -11.859 3.750 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.218 -8.963 5.367 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.165 -9.052 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.661 -8.834 4.516 1.00 0.00 H new ATOM 362 N THR A 26 4.558 -13.740 1.999 1.00 0.00 N ATOM 363 CA THR A 26 5.995 -13.726 2.244 1.00 0.00 C ATOM 364 C THR A 26 6.679 -12.629 1.436 1.00 0.00 C ATOM 365 O THR A 26 6.177 -12.177 0.408 1.00 0.00 O ATOM 366 CB THR A 26 6.637 -15.082 1.894 1.00 0.00 C ATOM 367 OG1 THR A 26 6.241 -15.488 0.579 1.00 0.00 O ATOM 368 CG2 THR A 26 6.234 -16.148 2.902 1.00 0.00 C ATOM 0 H THR A 26 4.297 -13.902 1.026 1.00 0.00 H new ATOM 0 HA THR A 26 6.133 -13.530 3.307 1.00 0.00 H new ATOM 0 HB THR A 26 7.720 -14.964 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.655 -16.350 0.364 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.699 -17.097 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.563 -15.851 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.150 -16.262 2.898 1.00 0.00 H new ATOM 376 N PRO A 27 7.855 -12.190 1.911 1.00 0.00 N ATOM 377 CA PRO A 27 8.634 -11.141 1.247 1.00 0.00 C ATOM 378 C PRO A 27 8.781 -11.388 -0.250 1.00 0.00 C ATOM 379 O PRO A 27 8.473 -10.519 -1.067 1.00 0.00 O ATOM 380 CB PRO A 27 9.997 -11.221 1.939 1.00 0.00 C ATOM 381 CG PRO A 27 9.707 -11.792 3.283 1.00 0.00 C ATOM 382 CD PRO A 27 8.513 -12.684 3.132 1.00 0.00 C ATOM 0 HA PRO A 27 8.156 -10.165 1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.688 -11.853 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.459 -10.237 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.563 -12.354 3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.507 -10.999 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.805 -13.729 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.853 -12.618 3.997 1.00 0.00 H new ATOM 390 N THR A 28 9.254 -12.579 -0.606 1.00 0.00 N ATOM 391 CA THR A 28 9.443 -12.940 -2.005 1.00 0.00 C ATOM 392 C THR A 28 8.149 -12.777 -2.794 1.00 0.00 C ATOM 393 O THR A 28 8.170 -12.430 -3.976 1.00 0.00 O ATOM 394 CB THR A 28 9.940 -14.391 -2.149 1.00 0.00 C ATOM 395 OG1 THR A 28 11.144 -14.573 -1.396 1.00 0.00 O ATOM 396 CG2 THR A 28 10.191 -14.734 -3.609 1.00 0.00 C ATOM 0 H THR A 28 9.513 -13.310 0.056 1.00 0.00 H new ATOM 0 HA THR A 28 10.198 -12.264 -2.407 1.00 0.00 H new ATOM 0 HB THR A 28 9.168 -15.057 -1.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.453 -15.498 -1.491 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.541 -15.763 -3.686 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.265 -14.623 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.947 -14.062 -4.016 1.00 0.00 H new ATOM 404 N LEU A 29 7.024 -13.029 -2.134 1.00 0.00 N ATOM 405 CA LEU A 29 5.718 -12.910 -2.775 1.00 0.00 C ATOM 406 C LEU A 29 5.432 -11.462 -3.162 1.00 0.00 C ATOM 407 O LEU A 29 5.007 -11.181 -4.284 1.00 0.00 O ATOM 408 CB LEU A 29 4.622 -13.426 -1.842 1.00 0.00 C ATOM 409 CG LEU A 29 3.272 -13.728 -2.495 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.376 -14.498 -1.537 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.596 -12.440 -2.942 1.00 0.00 C ATOM 0 H LEU A 29 6.989 -13.317 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 29 5.729 -13.514 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.981 -14.335 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.465 -12.688 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 29 3.446 -14.348 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.420 -14.704 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.856 -15.438 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.209 -13.904 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.637 -12.674 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.435 -11.795 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.231 -11.927 -3.664 1.00 0.00 H new ATOM 423 N LEU A 30 5.670 -10.548 -2.229 1.00 0.00 N ATOM 424 CA LEU A 30 5.440 -9.128 -2.473 1.00 0.00 C ATOM 425 C LEU A 30 6.335 -8.617 -3.598 1.00 0.00 C ATOM 426 O LEU A 30 5.959 -7.710 -4.340 1.00 0.00 O ATOM 427 CB LEU A 30 5.696 -8.323 -1.198 1.00 0.00 C ATOM 428 CG LEU A 30 5.168 -8.936 0.100 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.325 -7.959 1.255 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.712 -9.348 -0.058 1.00 0.00 C ATOM 0 H LEU A 30 6.022 -10.764 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 30 4.400 -9.000 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.771 -8.175 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.248 -7.337 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 30 5.755 -9.827 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.944 -8.413 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.379 -7.714 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.764 -7.049 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.353 -9.782 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.111 -8.473 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.627 -10.085 -0.857 1.00 0.00 H new ATOM 442 N ARG A 31 7.519 -9.207 -3.719 1.00 0.00 N ATOM 443 CA ARG A 31 8.467 -8.812 -4.754 1.00 0.00 C ATOM 444 C ARG A 31 7.833 -8.913 -6.139 1.00 0.00 C ATOM 445 O ARG A 31 8.004 -8.028 -6.976 1.00 0.00 O ATOM 446 CB ARG A 31 9.719 -9.689 -4.690 1.00 0.00 C ATOM 447 CG ARG A 31 10.642 -9.349 -3.531 1.00 0.00 C ATOM 448 CD ARG A 31 12.072 -9.784 -3.811 1.00 0.00 C ATOM 449 NE ARG A 31 13.016 -9.207 -2.858 1.00 0.00 N ATOM 450 CZ ARG A 31 13.363 -7.924 -2.853 1.00 0.00 C ATOM 451 NH1 ARG A 31 12.845 -7.091 -3.744 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.229 -7.474 -1.954 1.00 0.00 N ATOM 0 H ARG A 31 7.845 -9.960 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 31 8.749 -7.774 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.417 -10.733 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.271 -9.589 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.617 -8.275 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.283 -9.836 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.135 -10.871 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.350 -9.486 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 31 13.432 -9.822 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.178 -7.434 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.113 -6.107 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.629 -8.113 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.495 -6.489 -1.950 1.00 0.00 H new ATOM 466 N GLY A 32 7.101 -9.998 -6.372 1.00 0.00 N ATOM 467 CA GLY A 32 6.454 -10.194 -7.655 1.00 0.00 C ATOM 468 C GLY A 32 5.049 -9.626 -7.689 1.00 0.00 C ATOM 469 O GLY A 32 4.392 -9.638 -8.730 1.00 0.00 O ATOM 0 H GLY A 32 6.945 -10.745 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.052 -9.723 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.417 -11.260 -7.881 1.00 0.00 H new ATOM 473 N ALA A 33 4.586 -9.129 -6.547 1.00 0.00 N ATOM 474 CA ALA A 33 3.250 -8.554 -6.450 1.00 0.00 C ATOM 475 C ALA A 33 3.292 -7.038 -6.609 1.00 0.00 C ATOM 476 O ALA A 33 2.361 -6.433 -7.140 1.00 0.00 O ATOM 477 CB ALA A 33 2.608 -8.930 -5.123 1.00 0.00 C ATOM 0 H ALA A 33 5.116 -9.113 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 33 2.646 -8.962 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.611 -8.494 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.534 -10.015 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.218 -8.551 -4.303 1.00 0.00 H new ATOM 483 N PHE A 34 4.378 -6.429 -6.144 1.00 0.00 N ATOM 484 CA PHE A 34 4.541 -4.982 -6.233 1.00 0.00 C ATOM 485 C PHE A 34 5.347 -4.601 -7.470 1.00 0.00 C ATOM 486 O PHE A 34 5.204 -3.500 -8.003 1.00 0.00 O ATOM 487 CB PHE A 34 5.230 -4.447 -4.976 1.00 0.00 C ATOM 488 CG PHE A 34 4.338 -4.421 -3.768 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.915 -5.601 -3.177 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.921 -3.217 -3.223 1.00 0.00 C ATOM 491 CE1 PHE A 34 3.094 -5.580 -2.066 1.00 0.00 C ATOM 492 CE2 PHE A 34 3.100 -3.190 -2.111 1.00 0.00 C ATOM 493 CZ PHE A 34 2.687 -4.373 -1.531 1.00 0.00 C ATOM 0 H PHE A 34 5.158 -6.915 -5.702 1.00 0.00 H new ATOM 0 HA PHE A 34 3.551 -4.534 -6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.103 -5.063 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.593 -3.438 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.231 -6.548 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.241 -2.289 -3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.770 -6.507 -1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.782 -2.245 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.047 -4.355 -0.661 1.00 0.00 H new ATOM 503 N SER A 35 6.196 -5.518 -7.922 1.00 0.00 N ATOM 504 CA SER A 35 7.030 -5.277 -9.094 1.00 0.00 C ATOM 505 C SER A 35 6.186 -4.798 -10.272 1.00 0.00 C ATOM 506 O SER A 35 6.527 -3.839 -10.963 1.00 0.00 O ATOM 507 CB SER A 35 7.786 -6.550 -9.478 1.00 0.00 C ATOM 508 OG SER A 35 7.971 -6.629 -10.881 1.00 0.00 O ATOM 0 H SER A 35 6.325 -6.435 -7.494 1.00 0.00 H new ATOM 0 HA SER A 35 7.749 -4.497 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.755 -6.566 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.234 -7.423 -9.131 1.00 0.00 H new ATOM 0 HG SER A 35 8.458 -7.450 -11.101 1.00 0.00 H new ATOM 514 N PRO A 36 5.056 -5.482 -10.506 1.00 0.00 N ATOM 515 CA PRO A 36 4.139 -5.146 -11.599 1.00 0.00 C ATOM 516 C PRO A 36 3.819 -3.656 -11.649 1.00 0.00 C ATOM 517 O PRO A 36 3.698 -3.072 -12.726 1.00 0.00 O ATOM 518 CB PRO A 36 2.881 -5.952 -11.267 1.00 0.00 C ATOM 519 CG PRO A 36 3.372 -7.105 -10.461 1.00 0.00 C ATOM 520 CD PRO A 36 4.587 -6.637 -9.721 1.00 0.00 C ATOM 0 HA PRO A 36 4.565 -5.378 -12.575 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.164 -5.353 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.376 -6.288 -12.172 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.604 -7.444 -9.766 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.615 -7.950 -11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.346 -6.353 -8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.346 -7.417 -9.665 1.00 0.00 H new ATOM 528 N PHE A 37 3.683 -3.045 -10.476 1.00 0.00 N ATOM 529 CA PHE A 37 3.376 -1.622 -10.387 1.00 0.00 C ATOM 530 C PHE A 37 4.613 -0.779 -10.683 1.00 0.00 C ATOM 531 O PHE A 37 4.524 0.271 -11.318 1.00 0.00 O ATOM 532 CB PHE A 37 2.834 -1.282 -8.997 1.00 0.00 C ATOM 533 CG PHE A 37 1.481 -1.872 -8.720 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.362 -3.146 -8.189 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.328 -1.152 -8.990 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.118 -3.692 -7.933 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.918 -1.692 -8.735 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.023 -2.964 -8.207 1.00 0.00 C ATOM 0 H PHE A 37 3.780 -3.513 -9.575 1.00 0.00 H new ATOM 0 HA PHE A 37 2.615 -1.393 -11.133 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.538 -1.638 -8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.777 -0.198 -8.893 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.251 -3.719 -7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.404 -0.158 -9.404 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.039 -4.686 -7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.809 -1.120 -8.948 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.996 -3.389 -8.009 1.00 0.00 H new ATOM 548 N GLY A 38 5.767 -1.248 -10.218 1.00 0.00 N ATOM 549 CA GLY A 38 7.005 -0.526 -10.442 1.00 0.00 C ATOM 550 C GLY A 38 8.220 -1.294 -9.960 1.00 0.00 C ATOM 551 O GLY A 38 8.134 -2.488 -9.676 1.00 0.00 O ATOM 0 H GLY A 38 5.866 -2.115 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.111 -0.315 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.959 0.435 -9.929 1.00 0.00 H new ATOM 555 N ASN A 39 9.355 -0.608 -9.869 1.00 0.00 N ATOM 556 CA ASN A 39 10.593 -1.235 -9.421 1.00 0.00 C ATOM 557 C ASN A 39 10.770 -1.072 -7.914 1.00 0.00 C ATOM 558 O ASN A 39 10.883 0.045 -7.409 1.00 0.00 O ATOM 559 CB ASN A 39 11.791 -0.628 -10.155 1.00 0.00 C ATOM 560 CG ASN A 39 13.115 -1.103 -9.590 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.414 -2.298 -9.599 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.917 -0.167 -9.095 1.00 0.00 N ATOM 0 H ASN A 39 9.443 0.382 -10.099 1.00 0.00 H new ATOM 0 HA ASN A 39 10.536 -2.299 -9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.736 -0.888 -11.212 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.741 0.459 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.822 -0.426 -8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.628 0.811 -9.108 1.00 0.00 H new ATOM 569 N ILE A 40 10.793 -2.194 -7.202 1.00 0.00 N ATOM 570 CA ILE A 40 10.958 -2.176 -5.754 1.00 0.00 C ATOM 571 C ILE A 40 12.409 -1.904 -5.370 1.00 0.00 C ATOM 572 O ILE A 40 13.295 -2.714 -5.640 1.00 0.00 O ATOM 573 CB ILE A 40 10.512 -3.507 -5.120 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.129 -3.905 -5.638 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.504 -3.394 -3.603 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.736 -5.322 -5.284 1.00 0.00 C ATOM 0 H ILE A 40 10.699 -3.127 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 40 10.327 -1.373 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 40 11.222 -4.284 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.386 -3.218 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.109 -3.791 -6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.187 -4.342 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.507 -3.151 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.813 -2.607 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.744 -5.535 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.457 -6.018 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.723 -5.436 -4.200 1.00 0.00 H new ATOM 588 N ILE A 41 12.642 -0.759 -4.737 1.00 0.00 N ATOM 589 CA ILE A 41 13.984 -0.381 -4.312 1.00 0.00 C ATOM 590 C ILE A 41 14.180 -0.631 -2.821 1.00 0.00 C ATOM 591 O ILE A 41 15.309 -0.712 -2.337 1.00 0.00 O ATOM 592 CB ILE A 41 14.274 1.101 -4.615 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.113 1.977 -4.142 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.523 1.298 -6.103 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.354 3.458 -4.340 1.00 0.00 C ATOM 0 H ILE A 41 11.919 -0.077 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 41 14.680 -1.002 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 41 15.172 1.399 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.209 1.689 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.931 1.785 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.726 2.350 -6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.379 0.698 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.642 0.987 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.490 4.018 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.239 3.761 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.506 3.663 -5.400 1.00 0.00 H new ATOM 607 N ASP A 42 13.073 -0.755 -2.097 1.00 0.00 N ATOM 608 CA ASP A 42 13.122 -0.999 -0.660 1.00 0.00 C ATOM 609 C ASP A 42 11.919 -1.821 -0.208 1.00 0.00 C ATOM 610 O ASP A 42 10.792 -1.326 -0.174 1.00 0.00 O ATOM 611 CB ASP A 42 13.165 0.326 0.103 1.00 0.00 C ATOM 612 CG ASP A 42 13.912 0.213 1.417 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.708 -0.791 2.132 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.702 1.128 1.731 1.00 0.00 O ATOM 0 H ASP A 42 12.131 -0.691 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 42 14.029 -1.564 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.641 1.084 -0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.147 0.665 0.295 1.00 0.00 H new ATOM 619 N LEU A 43 12.167 -3.080 0.139 1.00 0.00 N ATOM 620 CA LEU A 43 11.104 -3.972 0.589 1.00 0.00 C ATOM 621 C LEU A 43 11.533 -4.746 1.832 1.00 0.00 C ATOM 622 O LEU A 43 12.433 -5.583 1.774 1.00 0.00 O ATOM 623 CB LEU A 43 10.724 -4.947 -0.527 1.00 0.00 C ATOM 624 CG LEU A 43 9.933 -6.184 -0.097 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.666 -5.777 0.641 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.596 -7.047 -1.304 1.00 0.00 C ATOM 0 H LEU A 43 13.094 -3.505 0.117 1.00 0.00 H new ATOM 0 HA LEU A 43 10.236 -3.364 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.139 -4.406 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.638 -5.278 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 43 10.552 -6.770 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.116 -6.670 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.931 -5.201 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.043 -5.169 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.033 -7.922 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.996 -6.470 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.517 -7.368 -1.791 1.00 0.00 H new ATOM 638 N SER A 44 10.880 -4.461 2.954 1.00 0.00 N ATOM 639 CA SER A 44 11.194 -5.129 4.212 1.00 0.00 C ATOM 640 C SER A 44 9.939 -5.729 4.837 1.00 0.00 C ATOM 641 O SER A 44 8.848 -5.170 4.724 1.00 0.00 O ATOM 642 CB SER A 44 11.844 -4.145 5.187 1.00 0.00 C ATOM 643 OG SER A 44 13.226 -3.995 4.915 1.00 0.00 O ATOM 0 H SER A 44 10.130 -3.772 3.018 1.00 0.00 H new ATOM 0 HA SER A 44 11.895 -5.937 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.349 -3.177 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.708 -4.498 6.209 1.00 0.00 H new ATOM 0 HG SER A 44 13.617 -3.360 5.551 1.00 0.00 H new ATOM 649 N MET A 45 10.102 -6.871 5.497 1.00 0.00 N ATOM 650 CA MET A 45 8.982 -7.547 6.142 1.00 0.00 C ATOM 651 C MET A 45 9.236 -7.716 7.636 1.00 0.00 C ATOM 652 O MET A 45 10.334 -8.088 8.050 1.00 0.00 O ATOM 653 CB MET A 45 8.744 -8.913 5.496 1.00 0.00 C ATOM 654 CG MET A 45 7.780 -8.870 4.321 1.00 0.00 C ATOM 655 SD MET A 45 6.065 -9.116 4.819 1.00 0.00 S ATOM 656 CE MET A 45 5.637 -10.564 3.857 1.00 0.00 C ATOM 0 H MET A 45 10.998 -7.347 5.599 1.00 0.00 H new ATOM 0 HA MET A 45 8.093 -6.930 6.010 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.698 -9.317 5.158 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.356 -9.599 6.249 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.873 -7.909 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.058 -9.638 3.600 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.855 -10.308 3.142 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.518 -10.918 3.321 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.277 -11.349 4.522 1.00 0.00 H new ATOM 666 N ASP A 46 8.216 -7.439 8.440 1.00 0.00 N ATOM 667 CA ASP A 46 8.329 -7.561 9.889 1.00 0.00 C ATOM 668 C ASP A 46 7.286 -8.531 10.436 1.00 0.00 C ATOM 669 O ASP A 46 6.137 -8.168 10.689 1.00 0.00 O ATOM 670 CB ASP A 46 8.166 -6.192 10.551 1.00 0.00 C ATOM 671 CG ASP A 46 9.444 -5.377 10.516 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.219 -5.529 9.549 1.00 0.00 O ATOM 673 OD2 ASP A 46 9.669 -4.586 11.456 1.00 0.00 O ATOM 0 H ASP A 46 7.301 -7.128 8.113 1.00 0.00 H new ATOM 0 HA ASP A 46 9.320 -7.953 10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.372 -5.640 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.853 -6.327 11.586 1.00 0.00 H new ATOM 678 N PRO A 47 7.694 -9.795 10.622 1.00 0.00 N ATOM 679 CA PRO A 47 6.810 -10.844 11.140 1.00 0.00 C ATOM 680 C PRO A 47 6.045 -10.397 12.381 1.00 0.00 C ATOM 681 O PRO A 47 4.848 -10.645 12.525 1.00 0.00 O ATOM 682 CB PRO A 47 7.774 -11.981 11.486 1.00 0.00 C ATOM 683 CG PRO A 47 8.945 -11.772 10.589 1.00 0.00 C ATOM 684 CD PRO A 47 9.049 -10.298 10.342 1.00 0.00 C ATOM 0 HA PRO A 47 6.042 -11.123 10.419 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.068 -11.945 12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.315 -12.955 11.317 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.857 -12.151 11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.814 -12.312 9.651 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.790 -9.835 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.350 -10.085 9.316 1.00 0.00 H new ATOM 692 N PRO A 48 6.750 -9.720 13.300 1.00 0.00 N ATOM 693 CA PRO A 48 6.157 -9.223 14.545 1.00 0.00 C ATOM 694 C PRO A 48 4.844 -8.486 14.307 1.00 0.00 C ATOM 695 O PRO A 48 3.940 -8.523 15.143 1.00 0.00 O ATOM 696 CB PRO A 48 7.220 -8.263 15.085 1.00 0.00 C ATOM 697 CG PRO A 48 8.503 -8.758 14.514 1.00 0.00 C ATOM 698 CD PRO A 48 8.181 -9.389 13.194 1.00 0.00 C ATOM 0 HA PRO A 48 5.907 -10.033 15.230 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.020 -7.237 14.777 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.243 -8.270 16.175 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.210 -7.938 14.387 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.969 -9.481 15.183 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.373 -8.705 12.367 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.785 -10.279 13.019 1.00 0.00 H new ATOM 706 N ARG A 49 4.745 -7.817 13.164 1.00 0.00 N ATOM 707 CA ARG A 49 3.542 -7.070 12.817 1.00 0.00 C ATOM 708 C ARG A 49 2.940 -7.583 11.512 1.00 0.00 C ATOM 709 O ARG A 49 2.090 -6.929 10.910 1.00 0.00 O ATOM 710 CB ARG A 49 3.860 -5.578 12.693 1.00 0.00 C ATOM 711 CG ARG A 49 4.155 -4.906 14.023 1.00 0.00 C ATOM 712 CD ARG A 49 2.876 -4.570 14.774 1.00 0.00 C ATOM 713 NE ARG A 49 2.367 -3.246 14.423 1.00 0.00 N ATOM 714 CZ ARG A 49 2.986 -2.114 14.738 1.00 0.00 C ATOM 715 NH1 ARG A 49 4.130 -2.143 15.406 1.00 0.00 N ATOM 716 NH2 ARG A 49 2.460 -0.948 14.383 1.00 0.00 N ATOM 0 H ARG A 49 5.484 -7.777 12.462 1.00 0.00 H new ATOM 0 HA ARG A 49 2.813 -7.214 13.614 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.719 -5.452 12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.018 -5.074 12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.775 -5.562 14.634 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.728 -3.995 13.852 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.117 -5.321 14.552 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.063 -4.614 15.847 1.00 0.00 H new ATOM 0 HE ARG A 49 1.488 -3.188 13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.538 -3.037 15.680 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.603 -1.272 15.646 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.580 -0.921 13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.936 -0.079 14.625 1.00 0.00 H new ATOM 730 N ASN A 50 3.388 -8.758 11.082 1.00 0.00 N ATOM 731 CA ASN A 50 2.895 -9.359 9.848 1.00 0.00 C ATOM 732 C ASN A 50 2.632 -8.291 8.790 1.00 0.00 C ATOM 733 O ASN A 50 1.670 -8.383 8.026 1.00 0.00 O ATOM 734 CB ASN A 50 1.614 -10.151 10.119 1.00 0.00 C ATOM 735 CG ASN A 50 1.750 -11.082 11.308 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.328 -10.756 12.417 1.00 0.00 O ATOM 737 ND2 ASN A 50 2.342 -12.249 11.081 1.00 0.00 N ATOM 0 H ASN A 50 4.091 -9.313 11.570 1.00 0.00 H new ATOM 0 HA ASN A 50 3.661 -10.037 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.792 -9.457 10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.355 -10.732 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.462 -12.917 11.843 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.677 -12.478 10.145 1.00 0.00 H new ATOM 744 N CYS A 51 3.493 -7.280 8.752 1.00 0.00 N ATOM 745 CA CYS A 51 3.354 -6.195 7.788 1.00 0.00 C ATOM 746 C CYS A 51 4.611 -6.063 6.933 1.00 0.00 C ATOM 747 O CYS A 51 5.633 -6.688 7.213 1.00 0.00 O ATOM 748 CB CYS A 51 3.074 -4.876 8.510 1.00 0.00 C ATOM 749 SG CYS A 51 4.372 -4.377 9.665 1.00 0.00 S ATOM 0 H CYS A 51 4.294 -7.189 9.377 1.00 0.00 H new ATOM 0 HA CYS A 51 2.514 -6.429 7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.941 -4.089 7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.133 -4.964 9.053 1.00 0.00 H new ATOM 0 HG CYS A 51 5.046 -3.387 9.159 1.00 0.00 H new ATOM 755 N ALA A 52 4.526 -5.247 5.888 1.00 0.00 N ATOM 756 CA ALA A 52 5.656 -5.033 4.992 1.00 0.00 C ATOM 757 C ALA A 52 5.682 -3.599 4.474 1.00 0.00 C ATOM 758 O ALA A 52 4.661 -2.911 4.468 1.00 0.00 O ATOM 759 CB ALA A 52 5.601 -6.014 3.830 1.00 0.00 C ATOM 0 H ALA A 52 3.686 -4.723 5.641 1.00 0.00 H new ATOM 0 HA ALA A 52 6.573 -5.205 5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.451 -5.843 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.639 -7.034 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.674 -5.869 3.275 1.00 0.00 H new ATOM 765 N PHE A 53 6.857 -3.152 4.042 1.00 0.00 N ATOM 766 CA PHE A 53 7.017 -1.798 3.525 1.00 0.00 C ATOM 767 C PHE A 53 7.678 -1.816 2.149 1.00 0.00 C ATOM 768 O PHE A 53 8.894 -1.969 2.034 1.00 0.00 O ATOM 769 CB PHE A 53 7.850 -0.954 4.492 1.00 0.00 C ATOM 770 CG PHE A 53 7.458 -1.131 5.931 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.217 -0.711 6.382 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.331 -1.717 6.833 1.00 0.00 C ATOM 773 CE1 PHE A 53 5.853 -0.873 7.706 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.973 -1.881 8.158 1.00 0.00 C ATOM 775 CZ PHE A 53 6.733 -1.458 8.595 1.00 0.00 C ATOM 0 H PHE A 53 7.712 -3.708 4.040 1.00 0.00 H new ATOM 0 HA PHE A 53 6.026 -1.354 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.902 -1.214 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.750 0.098 4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.526 -0.252 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.302 -2.049 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.882 -0.543 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.663 -2.340 8.851 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.452 -1.585 9.630 1.00 0.00 H new ATOM 785 N VAL A 54 6.867 -1.660 1.108 1.00 0.00 N ATOM 786 CA VAL A 54 7.372 -1.657 -0.260 1.00 0.00 C ATOM 787 C VAL A 54 7.551 -0.234 -0.778 1.00 0.00 C ATOM 788 O VAL A 54 6.618 0.570 -0.751 1.00 0.00 O ATOM 789 CB VAL A 54 6.428 -2.422 -1.208 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.015 -2.484 -2.610 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.153 -3.819 -0.673 1.00 0.00 C ATOM 0 H VAL A 54 5.858 -1.534 1.185 1.00 0.00 H new ATOM 0 HA VAL A 54 8.340 -2.157 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 54 5.481 -1.886 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.335 -3.028 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.155 -1.472 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.977 -2.996 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.485 -4.345 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.091 -4.368 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.686 -3.747 0.309 1.00 0.00 H new ATOM 801 N THR A 55 8.756 0.071 -1.249 1.00 0.00 N ATOM 802 CA THR A 55 9.058 1.397 -1.772 1.00 0.00 C ATOM 803 C THR A 55 9.222 1.366 -3.288 1.00 0.00 C ATOM 804 O THR A 55 9.861 0.467 -3.834 1.00 0.00 O ATOM 805 CB THR A 55 10.340 1.971 -1.141 1.00 0.00 C ATOM 806 OG1 THR A 55 10.269 1.875 0.286 1.00 0.00 O ATOM 807 CG2 THR A 55 10.540 3.424 -1.547 1.00 0.00 C ATOM 0 H THR A 55 9.539 -0.583 -1.279 1.00 0.00 H new ATOM 0 HA THR A 55 8.215 2.038 -1.513 1.00 0.00 H new ATOM 0 HB THR A 55 11.188 1.389 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.999 2.393 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.452 3.808 -1.089 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.623 3.491 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.689 4.016 -1.211 1.00 0.00 H new ATOM 815 N TYR A 56 8.641 2.353 -3.961 1.00 0.00 N ATOM 816 CA TYR A 56 8.721 2.437 -5.414 1.00 0.00 C ATOM 817 C TYR A 56 9.658 3.562 -5.844 1.00 0.00 C ATOM 818 O TYR A 56 9.724 4.609 -5.200 1.00 0.00 O ATOM 819 CB TYR A 56 7.331 2.661 -6.011 1.00 0.00 C ATOM 820 CG TYR A 56 6.453 1.431 -5.978 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.884 0.231 -6.532 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.193 1.467 -5.395 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.085 -0.895 -6.506 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.388 0.345 -5.362 1.00 0.00 C ATOM 825 CZ TYR A 56 4.838 -0.834 -5.919 1.00 0.00 C ATOM 826 OH TYR A 56 4.038 -1.953 -5.890 1.00 0.00 O ATOM 0 H TYR A 56 8.110 3.106 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 56 9.121 1.493 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.836 3.465 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.437 2.994 -7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.860 0.178 -6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.836 2.389 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.435 -1.819 -6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.412 0.391 -4.903 1.00 0.00 H new ATOM 0 HH TYR A 56 3.535 -1.974 -5.049 1.00 0.00 H new ATOM 836 N GLU A 57 10.381 3.337 -6.937 1.00 0.00 N ATOM 837 CA GLU A 57 11.314 4.331 -7.453 1.00 0.00 C ATOM 838 C GLU A 57 10.588 5.624 -7.813 1.00 0.00 C ATOM 839 O GLU A 57 11.130 6.719 -7.658 1.00 0.00 O ATOM 840 CB GLU A 57 12.048 3.786 -8.680 1.00 0.00 C ATOM 841 CG GLU A 57 13.243 4.626 -9.097 1.00 0.00 C ATOM 842 CD GLU A 57 14.493 4.296 -8.305 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.870 3.106 -8.262 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.095 5.227 -7.730 1.00 0.00 O ATOM 0 H GLU A 57 10.338 2.476 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 57 12.041 4.549 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.384 2.770 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.349 3.725 -9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.438 4.471 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.003 5.681 -8.967 1.00 0.00 H new ATOM 851 N LYS A 58 9.357 5.490 -8.296 1.00 0.00 N ATOM 852 CA LYS A 58 8.555 6.645 -8.678 1.00 0.00 C ATOM 853 C LYS A 58 7.397 6.849 -7.706 1.00 0.00 C ATOM 854 O LYS A 58 6.871 5.890 -7.143 1.00 0.00 O ATOM 855 CB LYS A 58 8.016 6.470 -10.100 1.00 0.00 C ATOM 856 CG LYS A 58 9.064 5.999 -11.093 1.00 0.00 C ATOM 857 CD LYS A 58 9.091 4.483 -11.199 1.00 0.00 C ATOM 858 CE LYS A 58 7.878 3.955 -11.949 1.00 0.00 C ATOM 859 NZ LYS A 58 7.837 4.447 -13.354 1.00 0.00 N ATOM 0 H LYS A 58 8.893 4.592 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 58 9.195 7.527 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.195 5.753 -10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.603 7.419 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.857 6.429 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.045 6.361 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.001 4.169 -11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.120 4.048 -10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.895 2.865 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.969 4.261 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.307 3.773 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.369 5.375 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.807 4.537 -13.719 1.00 0.00 H new ATOM 873 N MET A 59 7.004 8.104 -7.516 1.00 0.00 N ATOM 874 CA MET A 59 5.906 8.433 -6.614 1.00 0.00 C ATOM 875 C MET A 59 4.572 7.971 -7.192 1.00 0.00 C ATOM 876 O MET A 59 3.622 7.713 -6.453 1.00 0.00 O ATOM 877 CB MET A 59 5.867 9.939 -6.351 1.00 0.00 C ATOM 878 CG MET A 59 5.575 10.766 -7.593 1.00 0.00 C ATOM 879 SD MET A 59 7.072 11.248 -8.475 1.00 0.00 S ATOM 880 CE MET A 59 6.780 10.496 -10.074 1.00 0.00 C ATOM 0 H MET A 59 7.429 8.910 -7.974 1.00 0.00 H new ATOM 0 HA MET A 59 6.074 7.912 -5.672 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.107 10.148 -5.598 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.824 10.251 -5.933 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.932 10.195 -8.262 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.022 11.661 -7.307 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.622 10.706 -10.734 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.673 9.418 -9.955 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.868 10.906 -10.508 1.00 0.00 H new ATOM 890 N GLU A 60 4.507 7.871 -8.516 1.00 0.00 N ATOM 891 CA GLU A 60 3.288 7.442 -9.190 1.00 0.00 C ATOM 892 C GLU A 60 2.851 6.064 -8.700 1.00 0.00 C ATOM 893 O GLU A 60 1.671 5.833 -8.438 1.00 0.00 O ATOM 894 CB GLU A 60 3.500 7.412 -10.705 1.00 0.00 C ATOM 895 CG GLU A 60 4.671 6.545 -11.139 1.00 0.00 C ATOM 896 CD GLU A 60 5.016 6.722 -12.605 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.091 6.965 -13.408 1.00 0.00 O ATOM 898 OE2 GLU A 60 6.212 6.617 -12.949 1.00 0.00 O ATOM 0 H GLU A 60 5.284 8.081 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 60 2.502 8.159 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.591 7.047 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.661 8.430 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.543 6.789 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.433 5.498 -10.949 1.00 0.00 H new ATOM 905 N SER A 61 3.811 5.153 -8.579 1.00 0.00 N ATOM 906 CA SER A 61 3.526 3.798 -8.124 1.00 0.00 C ATOM 907 C SER A 61 2.899 3.812 -6.733 1.00 0.00 C ATOM 908 O SER A 61 1.881 3.163 -6.493 1.00 0.00 O ATOM 909 CB SER A 61 4.808 2.962 -8.110 1.00 0.00 C ATOM 910 OG SER A 61 5.396 2.909 -9.398 1.00 0.00 O ATOM 0 H SER A 61 4.793 5.329 -8.790 1.00 0.00 H new ATOM 0 HA SER A 61 2.816 3.350 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.517 3.389 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.584 1.952 -7.767 1.00 0.00 H new ATOM 0 HG SER A 61 6.289 2.510 -9.334 1.00 0.00 H new ATOM 916 N ALA A 62 3.515 4.556 -5.821 1.00 0.00 N ATOM 917 CA ALA A 62 3.018 4.657 -4.454 1.00 0.00 C ATOM 918 C ALA A 62 1.497 4.767 -4.431 1.00 0.00 C ATOM 919 O ALA A 62 0.816 3.964 -3.793 1.00 0.00 O ATOM 920 CB ALA A 62 3.646 5.850 -3.751 1.00 0.00 C ATOM 0 H ALA A 62 4.359 5.098 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 62 3.299 3.748 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.266 5.913 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.729 5.730 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.394 6.764 -4.289 1.00 0.00 H new ATOM 926 N ASP A 63 0.970 5.767 -5.129 1.00 0.00 N ATOM 927 CA ASP A 63 -0.471 5.982 -5.189 1.00 0.00 C ATOM 928 C ASP A 63 -1.158 4.853 -5.951 1.00 0.00 C ATOM 929 O ASP A 63 -2.211 4.366 -5.540 1.00 0.00 O ATOM 930 CB ASP A 63 -0.781 7.325 -5.852 1.00 0.00 C ATOM 931 CG ASP A 63 -2.269 7.550 -6.037 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.883 6.821 -6.844 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.819 8.455 -5.375 1.00 0.00 O ATOM 0 H ASP A 63 1.519 6.442 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.854 5.993 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.367 8.130 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.286 7.371 -6.822 1.00 0.00 H new ATOM 938 N GLN A 64 -0.555 4.443 -7.062 1.00 0.00 N ATOM 939 CA GLN A 64 -1.110 3.373 -7.882 1.00 0.00 C ATOM 940 C GLN A 64 -1.333 2.112 -7.053 1.00 0.00 C ATOM 941 O GLN A 64 -2.470 1.704 -6.820 1.00 0.00 O ATOM 942 CB GLN A 64 -0.180 3.068 -9.057 1.00 0.00 C ATOM 943 CG GLN A 64 -0.328 4.038 -10.218 1.00 0.00 C ATOM 944 CD GLN A 64 -0.008 3.401 -11.556 1.00 0.00 C ATOM 945 OE1 GLN A 64 -0.299 2.226 -11.782 1.00 0.00 O ATOM 946 NE2 GLN A 64 0.593 4.174 -12.452 1.00 0.00 N ATOM 0 H GLN A 64 0.318 4.836 -7.415 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.073 3.707 -8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.852 3.088 -8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.377 2.056 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.348 4.422 -10.238 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.331 4.892 -10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.816 5.143 -12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.832 3.800 -13.370 1.00 0.00 H new ATOM 955 N ALA A 65 -0.239 1.499 -6.612 1.00 0.00 N ATOM 956 CA ALA A 65 -0.315 0.286 -5.809 1.00 0.00 C ATOM 957 C ALA A 65 -1.374 0.414 -4.719 1.00 0.00 C ATOM 958 O ALA A 65 -2.304 -0.388 -4.645 1.00 0.00 O ATOM 959 CB ALA A 65 1.042 -0.027 -5.195 1.00 0.00 C ATOM 0 H ALA A 65 0.710 1.823 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.603 -0.536 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.970 -0.936 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.776 -0.171 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.353 0.802 -4.559 1.00 0.00 H new ATOM 965 N VAL A 66 -1.226 1.429 -3.873 1.00 0.00 N ATOM 966 CA VAL A 66 -2.170 1.663 -2.787 1.00 0.00 C ATOM 967 C VAL A 66 -3.600 1.748 -3.310 1.00 0.00 C ATOM 968 O VAL A 66 -4.558 1.548 -2.564 1.00 0.00 O ATOM 969 CB VAL A 66 -1.837 2.958 -2.023 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.038 3.425 -1.214 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.627 2.750 -1.125 1.00 0.00 C ATOM 0 H VAL A 66 -0.461 2.102 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.085 0.816 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.594 3.735 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.784 4.341 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.876 3.616 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.316 2.653 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.406 3.675 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.839 1.959 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.232 2.466 -1.732 1.00 0.00 H new ATOM 981 N ALA A 67 -3.736 2.046 -4.599 1.00 0.00 N ATOM 982 CA ALA A 67 -5.048 2.155 -5.223 1.00 0.00 C ATOM 983 C ALA A 67 -5.564 0.788 -5.660 1.00 0.00 C ATOM 984 O ALA A 67 -6.758 0.506 -5.568 1.00 0.00 O ATOM 985 CB ALA A 67 -4.991 3.104 -6.411 1.00 0.00 C ATOM 0 H ALA A 67 -2.953 2.216 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.741 2.557 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.978 3.176 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.675 4.091 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.279 2.726 -7.145 1.00 0.00 H new ATOM 991 N GLU A 68 -4.655 -0.057 -6.137 1.00 0.00 N ATOM 992 CA GLU A 68 -5.019 -1.395 -6.590 1.00 0.00 C ATOM 993 C GLU A 68 -4.756 -2.429 -5.499 1.00 0.00 C ATOM 994 O GLU A 68 -5.666 -3.140 -5.069 1.00 0.00 O ATOM 995 CB GLU A 68 -4.238 -1.760 -7.853 1.00 0.00 C ATOM 996 CG GLU A 68 -4.404 -0.757 -8.983 1.00 0.00 C ATOM 997 CD GLU A 68 -4.282 -1.395 -10.353 1.00 0.00 C ATOM 998 OE1 GLU A 68 -3.141 -1.670 -10.780 1.00 0.00 O ATOM 999 OE2 GLU A 68 -5.328 -1.621 -10.997 1.00 0.00 O ATOM 0 H GLU A 68 -3.662 0.161 -6.220 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.085 -1.396 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.180 -1.843 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.562 -2.742 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.378 -0.276 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.652 0.025 -8.883 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.506 -2.509 -5.057 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.121 -3.456 -4.016 1.00 0.00 C ATOM 1008 C LEU A 69 -4.026 -3.321 -2.796 1.00 0.00 C ATOM 1009 O LEU A 69 -4.161 -4.254 -2.005 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.663 -3.235 -3.612 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.609 -3.727 -4.604 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.733 -3.907 -3.912 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.055 -5.029 -5.254 1.00 0.00 C ATOM 0 H LEU A 69 -2.741 -1.929 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.231 -4.464 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.510 -2.168 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.493 -3.731 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.494 -2.975 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.471 -4.258 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.058 -2.954 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.634 -4.639 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.293 -5.364 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.199 -5.788 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.993 -4.868 -5.785 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.645 -2.154 -2.650 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.538 -1.898 -1.526 1.00 0.00 C ATOM 1027 C ASN A 70 -6.691 -2.897 -1.509 1.00 0.00 C ATOM 1028 O ASN A 70 -7.516 -2.924 -2.421 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.086 -0.471 -1.598 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.469 -0.351 -0.989 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.454 -0.134 -1.695 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.550 -0.492 0.329 1.00 0.00 N ATOM 0 H ASN A 70 -4.545 -1.371 -3.296 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.966 -2.015 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.404 0.204 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.122 -0.151 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.455 -0.421 0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.708 -0.671 0.875 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.742 -3.716 -0.463 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.797 -4.705 -0.346 1.00 0.00 C ATOM 1041 C GLY A 71 -7.815 -5.675 -1.511 1.00 0.00 C ATOM 1042 O GLY A 71 -8.856 -6.247 -1.838 1.00 0.00 O ATOM 0 H GLY A 71 -6.071 -3.712 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.669 -5.260 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.760 -4.199 -0.284 1.00 0.00 H new ATOM 1046 N THR A 72 -6.660 -5.860 -2.143 1.00 0.00 N ATOM 1047 CA THR A 72 -6.547 -6.765 -3.280 1.00 0.00 C ATOM 1048 C THR A 72 -6.284 -8.194 -2.822 1.00 0.00 C ATOM 1049 O THR A 72 -5.822 -8.422 -1.704 1.00 0.00 O ATOM 1050 CB THR A 72 -5.420 -6.328 -4.235 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.654 -6.861 -5.544 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.067 -6.798 -3.725 1.00 0.00 C ATOM 0 H THR A 72 -5.789 -5.395 -1.886 1.00 0.00 H new ATOM 0 HA THR A 72 -7.499 -6.727 -3.810 1.00 0.00 H new ATOM 0 HB THR A 72 -5.414 -5.239 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.935 -6.578 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.287 -6.478 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.880 -6.368 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.063 -7.886 -3.652 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.581 -9.154 -3.692 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.376 -10.562 -3.375 1.00 0.00 C ATOM 1062 C GLN A 73 -5.383 -11.199 -4.341 1.00 0.00 C ATOM 1063 O GLN A 73 -5.755 -11.639 -5.430 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.706 -11.316 -3.421 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.620 -12.736 -2.884 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.962 -13.440 -2.878 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.912 -12.985 -2.241 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.048 -14.558 -3.590 1.00 0.00 N ATOM 0 H GLN A 73 -6.964 -8.982 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.965 -10.625 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.448 -10.763 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.061 -11.347 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.917 -13.308 -3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.221 -12.713 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.235 -14.900 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.927 -15.075 -3.624 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.118 -11.245 -3.937 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.071 -11.829 -4.767 1.00 0.00 C ATOM 1079 C VAL A 74 -2.523 -13.107 -4.143 1.00 0.00 C ATOM 1080 O VAL A 74 -2.338 -13.186 -2.929 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.911 -10.840 -4.987 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.445 -9.468 -5.369 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.041 -10.755 -3.741 1.00 0.00 C ATOM 0 H VAL A 74 -3.793 -10.885 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.525 -12.064 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.295 -11.205 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.611 -8.782 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.023 -9.546 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.084 -9.091 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.226 -10.052 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.643 -10.413 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.630 -11.739 -3.517 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.264 -14.106 -4.981 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.737 -15.381 -4.510 1.00 0.00 C ATOM 1095 C GLU A 75 -2.628 -15.969 -3.420 1.00 0.00 C ATOM 1096 O GLU A 75 -2.146 -16.623 -2.495 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.312 -15.205 -3.980 1.00 0.00 C ATOM 1098 CG GLU A 75 0.653 -14.635 -5.006 1.00 0.00 C ATOM 1099 CD GLU A 75 0.953 -15.609 -6.129 1.00 0.00 C ATOM 1100 OE1 GLU A 75 -0.006 -16.118 -6.746 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.148 -15.862 -6.391 1.00 0.00 O ATOM 0 H GLU A 75 -2.411 -14.057 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.720 -16.072 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.335 -14.547 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.062 -16.171 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.233 -13.721 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.584 -14.360 -4.510 1.00 0.00 H new ATOM 1108 N SER A 76 -3.930 -15.729 -3.535 1.00 0.00 N ATOM 1109 CA SER A 76 -4.889 -16.230 -2.557 1.00 0.00 C ATOM 1110 C SER A 76 -4.656 -15.592 -1.191 1.00 0.00 C ATOM 1111 O SER A 76 -4.926 -16.199 -0.155 1.00 0.00 O ATOM 1112 CB SER A 76 -4.787 -17.752 -2.445 1.00 0.00 C ATOM 1113 OG SER A 76 -5.013 -18.372 -3.700 1.00 0.00 O ATOM 0 H SER A 76 -4.345 -15.191 -4.295 1.00 0.00 H new ATOM 0 HA SER A 76 -5.890 -15.964 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.800 -18.027 -2.072 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.515 -18.116 -1.720 1.00 0.00 H new ATOM 0 HG SER A 76 -4.941 -19.344 -3.602 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.151 -14.362 -1.198 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.882 -13.639 0.039 1.00 0.00 C ATOM 1121 C VAL A 77 -4.298 -12.177 -0.076 1.00 0.00 C ATOM 1122 O VAL A 77 -3.853 -11.464 -0.975 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.390 -13.708 0.416 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.076 -12.728 1.536 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -2.006 -15.125 0.814 1.00 0.00 C ATOM 0 H VAL A 77 -3.920 -13.846 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.470 -14.120 0.820 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.800 -13.427 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.018 -12.791 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.311 -11.715 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.674 -12.975 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.949 -15.155 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.602 -15.436 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.191 -15.800 -0.021 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.155 -11.738 0.839 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.632 -10.360 0.840 1.00 0.00 C ATOM 1137 C GLN A 78 -4.577 -9.418 1.410 1.00 0.00 C ATOM 1138 O GLN A 78 -4.254 -9.477 2.597 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.925 -10.245 1.649 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.182 -10.457 0.821 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.322 -11.045 1.629 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.103 -11.828 2.554 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.548 -10.670 1.284 1.00 0.00 N ATOM 0 H GLN A 78 -5.534 -12.316 1.589 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.831 -10.072 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.905 -10.977 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.967 -9.259 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.497 -9.504 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.955 -11.119 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.683 -10.019 0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.354 -11.033 1.792 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.042 -8.551 0.557 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.022 -7.596 0.976 1.00 0.00 C ATOM 1154 C LEU A 79 -3.628 -6.215 1.201 1.00 0.00 C ATOM 1155 O LEU A 79 -4.463 -5.757 0.421 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.912 -7.513 -0.073 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.895 -8.656 -0.066 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.286 -8.325 -0.966 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.424 -8.942 1.352 1.00 0.00 C ATOM 0 H LEU A 79 -4.298 -8.490 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.599 -7.944 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.374 -7.470 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.375 -6.575 0.068 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.381 -9.552 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.999 -9.149 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.066 -8.171 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.772 -7.417 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.299 -9.758 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.044 -8.049 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.277 -9.224 1.969 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.201 -5.554 2.272 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.698 -4.224 2.600 1.00 0.00 C ATOM 1173 C LYS A 80 -2.573 -3.195 2.550 1.00 0.00 C ATOM 1174 O LYS A 80 -1.716 -3.155 3.433 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.342 -4.224 3.988 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.607 -5.061 4.072 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.920 -5.457 5.505 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.229 -6.225 5.598 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.482 -6.727 6.977 1.00 0.00 N ATOM 0 H LYS A 80 -2.511 -5.919 2.928 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.449 -3.952 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.620 -4.598 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.576 -3.198 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.444 -4.499 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.492 -5.957 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.109 -6.069 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.976 -4.563 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.051 -5.579 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.207 -7.065 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.384 -7.245 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.710 -7.364 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.529 -5.924 7.636 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.583 -2.363 1.513 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.565 -1.332 1.350 1.00 0.00 C ATOM 1195 C VAL A 81 -2.130 0.051 1.652 1.00 0.00 C ATOM 1196 O VAL A 81 -3.316 0.306 1.447 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.985 -1.337 -0.077 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.289 -0.508 -0.138 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.726 -2.762 -0.541 1.00 0.00 C ATOM 0 H VAL A 81 -3.285 -2.383 0.773 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.769 -1.559 2.059 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.715 -0.887 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.685 -0.523 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.068 0.520 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.028 -0.926 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.316 -2.747 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.014 -3.240 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.661 -3.322 -0.537 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.272 0.941 2.141 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.686 2.299 2.472 1.00 0.00 C ATOM 1211 C ASN A 82 -0.512 3.268 2.361 1.00 0.00 C ATOM 1212 O ASN A 82 0.641 2.888 2.569 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.268 2.347 3.886 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.740 1.983 3.918 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.529 2.470 3.108 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.116 1.123 4.857 1.00 0.00 N ATOM 0 H ASN A 82 -0.286 0.746 2.317 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.453 2.602 1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.713 1.663 4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.135 3.348 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.094 0.841 4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.427 0.745 5.507 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.814 4.519 2.031 1.00 0.00 N ATOM 1224 CA ILE A 83 0.215 5.542 1.894 1.00 0.00 C ATOM 1225 C ILE A 83 0.845 5.873 3.242 1.00 0.00 C ATOM 1226 O ILE A 83 0.307 6.668 4.012 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.353 6.833 1.274 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.165 6.507 0.019 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.773 7.803 0.947 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.319 6.034 -1.142 1.00 0.00 C ATOM 0 H ILE A 83 -1.763 4.849 1.854 1.00 0.00 H new ATOM 0 HA ILE A 83 0.978 5.135 1.230 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.015 7.307 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.899 5.738 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.721 7.394 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.356 8.710 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.313 8.055 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.458 7.339 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.961 5.821 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.397 6.810 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.217 5.129 -0.857 1.00 0.00 H new ATOM 1242 N ALA A 84 1.990 5.258 3.522 1.00 0.00 N ATOM 1243 CA ALA A 84 2.696 5.490 4.776 1.00 0.00 C ATOM 1244 C ALA A 84 2.874 6.982 5.037 1.00 0.00 C ATOM 1245 O ALA A 84 3.708 7.636 4.411 1.00 0.00 O ATOM 1246 CB ALA A 84 4.046 4.790 4.759 1.00 0.00 C ATOM 0 H ALA A 84 2.448 4.595 2.897 1.00 0.00 H new ATOM 0 HA ALA A 84 2.095 5.075 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.562 4.972 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.898 3.718 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.646 5.178 3.936 1.00 0.00 H new ATOM 1252 N ARG A 85 2.086 7.514 5.965 1.00 0.00 N ATOM 1253 CA ARG A 85 2.156 8.930 6.307 1.00 0.00 C ATOM 1254 C ARG A 85 3.560 9.309 6.767 1.00 0.00 C ATOM 1255 O ARG A 85 4.132 10.296 6.303 1.00 0.00 O ATOM 1256 CB ARG A 85 1.142 9.262 7.403 1.00 0.00 C ATOM 1257 CG ARG A 85 0.814 10.743 7.502 1.00 0.00 C ATOM 1258 CD ARG A 85 0.049 11.061 8.777 1.00 0.00 C ATOM 1259 NE ARG A 85 -0.209 12.491 8.918 1.00 0.00 N ATOM 1260 CZ ARG A 85 -0.822 13.028 9.967 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -1.237 12.256 10.962 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -1.020 14.338 10.023 1.00 0.00 N ATOM 0 H ARG A 85 1.392 6.986 6.494 1.00 0.00 H new ATOM 0 HA ARG A 85 1.917 9.506 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.223 8.707 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.531 8.920 8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.736 11.323 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.223 11.044 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.897 10.520 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.617 10.708 9.638 1.00 0.00 H new ATOM 0 HE ARG A 85 0.098 13.112 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.086 11.248 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.707 12.670 11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.701 14.935 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.491 14.749 10.829 1.00 0.00 H new ATOM 1276 N LYS A 86 4.111 8.518 7.682 1.00 0.00 N ATOM 1277 CA LYS A 86 5.449 8.769 8.205 1.00 0.00 C ATOM 1278 C LYS A 86 6.514 8.231 7.255 1.00 0.00 C ATOM 1279 O LYS A 86 6.812 7.037 7.256 1.00 0.00 O ATOM 1280 CB LYS A 86 5.609 8.126 9.584 1.00 0.00 C ATOM 1281 CG LYS A 86 4.979 8.931 10.708 1.00 0.00 C ATOM 1282 CD LYS A 86 5.953 9.949 11.277 1.00 0.00 C ATOM 1283 CE LYS A 86 6.906 9.311 12.276 1.00 0.00 C ATOM 1284 NZ LYS A 86 6.245 9.050 13.585 1.00 0.00 N ATOM 0 H LYS A 86 3.651 7.697 8.077 1.00 0.00 H new ATOM 0 HA LYS A 86 5.580 9.847 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.162 7.132 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.671 7.995 9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.091 9.443 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.651 8.258 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.524 10.401 10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.399 10.752 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.286 8.374 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.765 9.965 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.957 8.743 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.787 9.921 13.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.529 8.304 13.470 1.00 0.00 H new ATOM 1298 N GLN A 87 7.085 9.120 6.448 1.00 0.00 N ATOM 1299 CA GLN A 87 8.117 8.733 5.494 1.00 0.00 C ATOM 1300 C GLN A 87 9.419 9.480 5.768 1.00 0.00 C ATOM 1301 O GLN A 87 9.737 10.478 5.122 1.00 0.00 O ATOM 1302 CB GLN A 87 7.649 9.007 4.064 1.00 0.00 C ATOM 1303 CG GLN A 87 6.363 8.285 3.696 1.00 0.00 C ATOM 1304 CD GLN A 87 6.203 8.104 2.199 1.00 0.00 C ATOM 1305 OE1 GLN A 87 7.126 8.370 1.428 1.00 0.00 O ATOM 1306 NE2 GLN A 87 5.028 7.649 1.780 1.00 0.00 N ATOM 0 H GLN A 87 6.850 10.113 6.436 1.00 0.00 H new ATOM 0 HA GLN A 87 8.301 7.665 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.503 10.080 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.435 8.709 3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.348 7.308 4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.512 8.846 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.291 7.442 2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.862 7.507 0.784 1.00 0.00 H new ATOM 1315 N PRO A 88 10.189 8.987 6.749 1.00 0.00 N ATOM 1316 CA PRO A 88 11.469 9.592 7.130 1.00 0.00 C ATOM 1317 C PRO A 88 12.540 9.406 6.061 1.00 0.00 C ATOM 1318 O PRO A 88 13.654 9.911 6.192 1.00 0.00 O ATOM 1319 CB PRO A 88 11.851 8.839 8.407 1.00 0.00 C ATOM 1320 CG PRO A 88 11.154 7.527 8.296 1.00 0.00 C ATOM 1321 CD PRO A 88 9.871 7.800 7.561 1.00 0.00 C ATOM 0 HA PRO A 88 11.386 10.671 7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.931 8.709 8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 88 11.533 9.382 9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.766 6.804 7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.957 7.105 9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.577 6.955 6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.047 7.992 8.248 1.00 0.00 H new ATOM 1329 N MET A 89 12.194 8.678 5.005 1.00 0.00 N ATOM 1330 CA MET A 89 13.127 8.426 3.912 1.00 0.00 C ATOM 1331 C MET A 89 12.882 9.391 2.756 1.00 0.00 C ATOM 1332 O MET A 89 11.835 9.346 2.108 1.00 0.00 O ATOM 1333 CB MET A 89 12.997 6.982 3.424 1.00 0.00 C ATOM 1334 CG MET A 89 13.235 5.949 4.513 1.00 0.00 C ATOM 1335 SD MET A 89 13.325 4.268 3.867 1.00 0.00 S ATOM 1336 CE MET A 89 14.629 4.441 2.652 1.00 0.00 C ATOM 0 H MET A 89 11.275 8.252 4.882 1.00 0.00 H new ATOM 0 HA MET A 89 14.138 8.584 4.286 1.00 0.00 H new ATOM 0 HB2 MET A 89 12.000 6.836 3.008 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.708 6.815 2.615 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.163 6.184 5.035 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.432 6.009 5.248 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.175 3.501 2.568 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.194 4.696 1.686 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.313 5.231 2.962 1.00 0.00 H new ATOM 1346 N LEU A 90 13.853 10.261 2.502 1.00 0.00 N ATOM 1347 CA LEU A 90 13.743 11.237 1.423 1.00 0.00 C ATOM 1348 C LEU A 90 14.840 11.026 0.384 1.00 0.00 C ATOM 1349 O LEU A 90 16.025 11.184 0.677 1.00 0.00 O ATOM 1350 CB LEU A 90 13.822 12.658 1.984 1.00 0.00 C ATOM 1351 CG LEU A 90 12.490 13.299 2.378 1.00 0.00 C ATOM 1352 CD1 LEU A 90 11.718 13.728 1.141 1.00 0.00 C ATOM 1353 CD2 LEU A 90 11.664 12.336 3.218 1.00 0.00 C ATOM 0 H LEU A 90 14.725 10.311 3.028 1.00 0.00 H new ATOM 0 HA LEU A 90 12.777 11.098 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.470 12.646 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.303 13.294 1.241 1.00 0.00 H new ATOM 0 HG LEU A 90 12.698 14.186 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.773 14.182 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.306 14.453 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.520 12.857 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.720 12.808 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.465 11.431 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.214 12.078 4.123 1.00 0.00 H new ATOM 1365 N ASP A 91 14.436 10.671 -0.831 1.00 0.00 N ATOM 1366 CA ASP A 91 15.384 10.443 -1.915 1.00 0.00 C ATOM 1367 C ASP A 91 15.965 11.761 -2.416 1.00 0.00 C ATOM 1368 O ASP A 91 15.231 12.651 -2.845 1.00 0.00 O ATOM 1369 CB ASP A 91 14.705 9.700 -3.067 1.00 0.00 C ATOM 1370 CG ASP A 91 15.702 9.025 -3.988 1.00 0.00 C ATOM 1371 OD1 ASP A 91 16.387 9.742 -4.748 1.00 0.00 O ATOM 1372 OD2 ASP A 91 15.798 7.781 -3.951 1.00 0.00 O ATOM 0 H ASP A 91 13.459 10.535 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 91 16.199 9.831 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.025 8.951 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.101 10.402 -3.642 1.00 0.00 H new ATOM 1377 N SER A 92 17.288 11.880 -2.358 1.00 0.00 N ATOM 1378 CA SER A 92 17.967 13.092 -2.801 1.00 0.00 C ATOM 1379 C SER A 92 19.317 12.759 -3.429 1.00 0.00 C ATOM 1380 O SER A 92 20.131 12.050 -2.839 1.00 0.00 O ATOM 1381 CB SER A 92 18.161 14.052 -1.626 1.00 0.00 C ATOM 1382 OG SER A 92 19.070 15.087 -1.958 1.00 0.00 O ATOM 0 H SER A 92 17.911 11.152 -2.009 1.00 0.00 H new ATOM 0 HA SER A 92 17.344 13.573 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.201 14.484 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.531 13.502 -0.761 1.00 0.00 H new ATOM 0 HG SER A 92 19.176 15.688 -1.191 1.00 0.00 H new ATOM 1388 N GLY A 93 19.548 13.277 -4.631 1.00 0.00 N ATOM 1389 CA GLY A 93 20.800 13.025 -5.320 1.00 0.00 C ATOM 1390 C GLY A 93 20.593 12.596 -6.760 1.00 0.00 C ATOM 1391 O GLY A 93 19.705 11.803 -7.072 1.00 0.00 O ATOM 0 H GLY A 93 18.890 13.867 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 93 21.412 13.927 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 93 21.354 12.251 -4.789 1.00 0.00 H new ATOM 1395 N PRO A 94 21.427 13.128 -7.665 1.00 0.00 N ATOM 1396 CA PRO A 94 21.351 12.811 -9.094 1.00 0.00 C ATOM 1397 C PRO A 94 21.782 11.380 -9.395 1.00 0.00 C ATOM 1398 O PRO A 94 22.971 11.063 -9.380 1.00 0.00 O ATOM 1399 CB PRO A 94 22.323 13.807 -9.731 1.00 0.00 C ATOM 1400 CG PRO A 94 23.290 14.138 -8.647 1.00 0.00 C ATOM 1401 CD PRO A 94 22.509 14.080 -7.364 1.00 0.00 C ATOM 0 HA PRO A 94 20.332 12.886 -9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 94 22.828 13.371 -10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 94 21.803 14.698 -10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 94 24.118 13.429 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 94 23.721 15.128 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 94 23.126 13.737 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 94 22.117 15.059 -7.088 1.00 0.00 H new ATOM 1409 N SER A 95 20.807 10.518 -9.667 1.00 0.00 N ATOM 1410 CA SER A 95 21.086 9.119 -9.968 1.00 0.00 C ATOM 1411 C SER A 95 21.467 8.943 -11.435 1.00 0.00 C ATOM 1412 O SER A 95 21.057 7.980 -12.083 1.00 0.00 O ATOM 1413 CB SER A 95 19.869 8.252 -9.638 1.00 0.00 C ATOM 1414 OG SER A 95 19.560 8.310 -8.256 1.00 0.00 O ATOM 0 H SER A 95 19.817 10.764 -9.685 1.00 0.00 H new ATOM 0 HA SER A 95 21.928 8.802 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 95 19.011 8.588 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.065 7.219 -9.927 1.00 0.00 H new ATOM 0 HG SER A 95 18.778 7.749 -8.072 1.00 0.00 H new ATOM 1420 N SER A 96 22.253 9.882 -11.951 1.00 0.00 N ATOM 1421 CA SER A 96 22.687 9.835 -13.343 1.00 0.00 C ATOM 1422 C SER A 96 21.565 9.331 -14.245 1.00 0.00 C ATOM 1423 O SER A 96 21.794 8.535 -15.154 1.00 0.00 O ATOM 1424 CB SER A 96 23.915 8.934 -13.486 1.00 0.00 C ATOM 1425 OG SER A 96 25.099 9.623 -13.121 1.00 0.00 O ATOM 0 H SER A 96 22.602 10.684 -11.427 1.00 0.00 H new ATOM 0 HA SER A 96 22.950 10.847 -13.650 1.00 0.00 H new ATOM 0 HB2 SER A 96 23.797 8.051 -12.859 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.996 8.585 -14.516 1.00 0.00 H new ATOM 0 HG SER A 96 25.869 9.025 -13.219 1.00 0.00 H new ATOM 1431 N GLY A 97 20.349 9.802 -13.986 1.00 0.00 N ATOM 1432 CA GLY A 97 19.208 9.389 -14.782 1.00 0.00 C ATOM 1433 C GLY A 97 19.488 9.448 -16.271 1.00 0.00 C ATOM 1434 O GLY A 97 18.647 9.063 -17.083 1.00 0.00 O ATOM 0 H GLY A 97 20.134 10.462 -13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.927 8.372 -14.508 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.356 10.029 -14.550 1.00 0.00 H new TER 1438 GLY A 97