USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.734 X(o=-0.73,f=-0.32) USER MOD Set 2.1: A 42 MET CE :methyl 153:sc= -4.55! (180deg=-6.33!) USER MOD Set 2.2: A 61 MET CE :methyl -162:sc= -11.9! (180deg=-11.4!) USER MOD Set 3.1: A 21 ASN : amide:sc= -4.52! C(o=-5.4!,f=-7.9!) USER MOD Set 3.2: A 60 GLN : amide:sc= -0.915 X(o=-5.4,f=-5.2) USER MOD Set 4.1: A 17 THR OG1 : rot 148:sc= -0.274 USER MOD Set 4.2: A 64 THR OG1 : rot -84:sc= 0.182 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0.0144 USER MOD Set 5.2: A 5 SER OG : rot 164:sc= -0.213 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 72:sc= 0.0307 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.2) USER MOD Single : A 24 SER OG : rot 46:sc= 0.915 USER MOD Single : A 26 THR OG1 : rot -132:sc= 0.397! USER MOD Single : A 30 LYS NZ :NH3+ -134:sc= 0.685 (180deg=0.011) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 44 THR OG1 : rot 114:sc= 1.21 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.85! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.94) USER MOD Single : A 58 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.3!) USER MOD Single : A 70 SER OG : rot -124:sc= 0.519 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -171:sc= -0.741 (180deg=-0.968) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 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 -14.562 -3.214 -25.374 1.00 0.00 N ATOM 2 CA GLY A 1 -15.940 -2.802 -25.581 1.00 0.00 C ATOM 3 C GLY A 1 -16.460 -2.006 -24.383 1.00 0.00 C ATOM 4 O GLY A 1 -17.160 -2.548 -23.529 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.233 -3.752 -26.201 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.963 -2.373 -25.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.502 -3.812 -24.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.010 -2.195 -26.484 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.566 -3.680 -25.738 1.00 0.00 H new ATOM 8 N SER A 2 -16.097 -0.731 -24.357 1.00 0.00 N ATOM 9 CA SER A 2 -16.518 0.145 -23.278 1.00 0.00 C ATOM 10 C SER A 2 -16.436 -0.594 -21.941 1.00 0.00 C ATOM 11 O SER A 2 -17.407 -1.213 -21.509 1.00 0.00 O ATOM 12 CB SER A 2 -17.939 0.663 -23.511 1.00 0.00 C ATOM 13 OG SER A 2 -17.966 1.750 -24.433 1.00 0.00 O ATOM 0 H SER A 2 -15.516 -0.285 -25.067 1.00 0.00 H new ATOM 0 HA SER A 2 -15.847 1.003 -23.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.563 -0.147 -23.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.369 0.982 -22.562 1.00 0.00 H new ATOM 0 HG SER A 2 -18.890 2.051 -24.556 1.00 0.00 H new ATOM 19 N SER A 3 -15.267 -0.506 -21.323 1.00 0.00 N ATOM 20 CA SER A 3 -15.045 -1.159 -20.044 1.00 0.00 C ATOM 21 C SER A 3 -15.285 -0.169 -18.903 1.00 0.00 C ATOM 22 O SER A 3 -16.095 -0.425 -18.014 1.00 0.00 O ATOM 23 CB SER A 3 -13.631 -1.735 -19.958 1.00 0.00 C ATOM 24 OG SER A 3 -13.475 -2.603 -18.839 1.00 0.00 O ATOM 0 H SER A 3 -14.463 0.008 -21.685 1.00 0.00 H new ATOM 0 HA SER A 3 -15.751 -1.985 -19.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.406 -2.281 -20.874 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.911 -0.920 -19.887 1.00 0.00 H new ATOM 0 HG SER A 3 -12.559 -2.951 -18.820 1.00 0.00 H new ATOM 30 N GLY A 4 -14.566 0.942 -18.965 1.00 0.00 N ATOM 31 CA GLY A 4 -14.690 1.972 -17.947 1.00 0.00 C ATOM 32 C GLY A 4 -16.022 2.714 -18.078 1.00 0.00 C ATOM 33 O GLY A 4 -16.820 2.733 -17.142 1.00 0.00 O ATOM 0 H GLY A 4 -13.895 1.152 -19.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.616 1.521 -16.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.865 2.679 -18.037 1.00 0.00 H new ATOM 37 N SER A 5 -16.220 3.307 -19.246 1.00 0.00 N ATOM 38 CA SER A 5 -17.441 4.048 -19.511 1.00 0.00 C ATOM 39 C SER A 5 -18.649 3.276 -18.977 1.00 0.00 C ATOM 40 O SER A 5 -19.414 3.797 -18.167 1.00 0.00 O ATOM 41 CB SER A 5 -17.606 4.321 -21.008 1.00 0.00 C ATOM 42 OG SER A 5 -17.502 3.129 -21.782 1.00 0.00 O ATOM 0 H SER A 5 -15.555 3.289 -20.019 1.00 0.00 H new ATOM 0 HA SER A 5 -17.376 5.008 -18.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.575 4.786 -21.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.846 5.032 -21.333 1.00 0.00 H new ATOM 0 HG SER A 5 -17.853 3.292 -22.682 1.00 0.00 H new ATOM 48 N SER A 6 -18.782 2.046 -19.451 1.00 0.00 N ATOM 49 CA SER A 6 -19.883 1.197 -19.031 1.00 0.00 C ATOM 50 C SER A 6 -19.826 0.976 -17.518 1.00 0.00 C ATOM 51 O SER A 6 -20.778 1.290 -16.805 1.00 0.00 O ATOM 52 CB SER A 6 -19.855 -0.146 -19.764 1.00 0.00 C ATOM 53 OG SER A 6 -21.140 -0.512 -20.257 1.00 0.00 O ATOM 0 H SER A 6 -18.145 1.617 -20.122 1.00 0.00 H new ATOM 0 HA SER A 6 -20.817 1.699 -19.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.150 -0.091 -20.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.492 -0.920 -19.088 1.00 0.00 H new ATOM 0 HG SER A 6 -21.080 -1.374 -20.720 1.00 0.00 H new ATOM 59 N GLY A 7 -18.700 0.439 -17.072 1.00 0.00 N ATOM 60 CA GLY A 7 -18.507 0.173 -15.657 1.00 0.00 C ATOM 61 C GLY A 7 -19.087 1.301 -14.802 1.00 0.00 C ATOM 62 O GLY A 7 -20.039 1.090 -14.052 1.00 0.00 O ATOM 0 H GLY A 7 -17.912 0.181 -17.666 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.984 -0.771 -15.393 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.443 0.062 -15.446 1.00 0.00 H new ATOM 66 N SER A 8 -18.490 2.475 -14.945 1.00 0.00 N ATOM 67 CA SER A 8 -18.936 3.637 -14.195 1.00 0.00 C ATOM 68 C SER A 8 -18.764 3.390 -12.695 1.00 0.00 C ATOM 69 O SER A 8 -19.715 3.018 -12.010 1.00 0.00 O ATOM 70 CB SER A 8 -20.394 3.972 -14.514 1.00 0.00 C ATOM 71 OG SER A 8 -20.507 5.099 -15.379 1.00 0.00 O ATOM 0 H SER A 8 -17.701 2.647 -15.569 1.00 0.00 H new ATOM 0 HA SER A 8 -18.323 4.489 -14.489 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.871 3.109 -14.979 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.931 4.172 -13.587 1.00 0.00 H new ATOM 0 HG SER A 8 -20.219 4.849 -16.282 1.00 0.00 H new ATOM 77 N SER A 9 -17.543 3.607 -12.228 1.00 0.00 N ATOM 78 CA SER A 9 -17.234 3.413 -10.822 1.00 0.00 C ATOM 79 C SER A 9 -17.319 4.747 -10.078 1.00 0.00 C ATOM 80 O SER A 9 -18.103 4.891 -9.141 1.00 0.00 O ATOM 81 CB SER A 9 -15.847 2.793 -10.643 1.00 0.00 C ATOM 82 OG SER A 9 -15.545 2.546 -9.273 1.00 0.00 O ATOM 0 H SER A 9 -16.756 3.915 -12.799 1.00 0.00 H new ATOM 0 HA SER A 9 -17.967 2.724 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.793 1.858 -11.200 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.095 3.459 -11.066 1.00 0.00 H new ATOM 0 HG SER A 9 -14.652 2.149 -9.201 1.00 0.00 H new ATOM 88 N PHE A 10 -16.501 5.690 -10.523 1.00 0.00 N ATOM 89 CA PHE A 10 -16.474 7.007 -9.911 1.00 0.00 C ATOM 90 C PHE A 10 -16.236 6.907 -8.403 1.00 0.00 C ATOM 91 O PHE A 10 -17.177 6.725 -7.633 1.00 0.00 O ATOM 92 CB PHE A 10 -17.843 7.643 -10.158 1.00 0.00 C ATOM 93 CG PHE A 10 -17.777 9.084 -10.668 1.00 0.00 C ATOM 94 CD1 PHE A 10 -17.207 10.052 -9.900 1.00 0.00 C ATOM 95 CD2 PHE A 10 -18.288 9.398 -11.888 1.00 0.00 C ATOM 96 CE1 PHE A 10 -17.146 11.389 -10.373 1.00 0.00 C ATOM 97 CE2 PHE A 10 -18.226 10.736 -12.361 1.00 0.00 C ATOM 98 CZ PHE A 10 -17.657 11.703 -11.593 1.00 0.00 C ATOM 0 H PHE A 10 -15.852 5.568 -11.300 1.00 0.00 H new ATOM 0 HA PHE A 10 -15.666 7.600 -10.340 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -18.388 7.037 -10.881 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -18.414 7.623 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.801 9.803 -8.931 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -18.741 8.630 -12.498 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -16.693 12.157 -9.763 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -18.631 10.985 -13.331 1.00 0.00 H new ATOM 0 HZ PHE A 10 -17.611 12.720 -11.952 1.00 0.00 H new ATOM 108 N GLN A 11 -14.971 7.029 -8.026 1.00 0.00 N ATOM 109 CA GLN A 11 -14.597 6.954 -6.624 1.00 0.00 C ATOM 110 C GLN A 11 -13.075 7.005 -6.477 1.00 0.00 C ATOM 111 O GLN A 11 -12.348 6.844 -7.456 1.00 0.00 O ATOM 112 CB GLN A 11 -15.170 5.695 -5.971 1.00 0.00 C ATOM 113 CG GLN A 11 -16.326 6.041 -5.031 1.00 0.00 C ATOM 114 CD GLN A 11 -16.268 5.198 -3.756 1.00 0.00 C ATOM 115 OE1 GLN A 11 -15.650 5.560 -2.768 1.00 0.00 O ATOM 116 NE2 GLN A 11 -16.944 4.055 -3.832 1.00 0.00 N ATOM 0 H GLN A 11 -14.192 7.179 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.021 7.816 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.517 5.007 -6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.386 5.181 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.285 7.099 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.275 5.873 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.440 3.812 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.966 3.422 -3.033 1.00 0.00 H new ATOM 125 N GLY A 12 -12.639 7.230 -5.246 1.00 0.00 N ATOM 126 CA GLY A 12 -11.217 7.304 -4.959 1.00 0.00 C ATOM 127 C GLY A 12 -10.970 7.852 -3.551 1.00 0.00 C ATOM 128 O GLY A 12 -11.866 7.834 -2.709 1.00 0.00 O ATOM 0 H GLY A 12 -13.245 7.363 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.772 6.313 -5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.727 7.943 -5.693 1.00 0.00 H new ATOM 132 N PRO A 13 -9.718 8.337 -3.335 1.00 0.00 N ATOM 133 CA PRO A 13 -9.342 8.889 -2.044 1.00 0.00 C ATOM 134 C PRO A 13 -9.953 10.277 -1.842 1.00 0.00 C ATOM 135 O PRO A 13 -10.393 10.911 -2.800 1.00 0.00 O ATOM 136 CB PRO A 13 -7.822 8.904 -2.051 1.00 0.00 C ATOM 137 CG PRO A 13 -7.410 8.798 -3.510 1.00 0.00 C ATOM 138 CD PRO A 13 -8.632 8.374 -4.310 1.00 0.00 C ATOM 0 HA PRO A 13 -9.718 8.299 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.439 9.821 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.421 8.073 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.031 9.754 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.606 8.072 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.844 9.080 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.483 7.399 -4.774 1.00 0.00 H new ATOM 146 N LEU A 14 -9.961 10.708 -0.590 1.00 0.00 N ATOM 147 CA LEU A 14 -10.511 12.010 -0.250 1.00 0.00 C ATOM 148 C LEU A 14 -9.384 13.045 -0.230 1.00 0.00 C ATOM 149 O LEU A 14 -9.323 13.917 -1.095 1.00 0.00 O ATOM 150 CB LEU A 14 -11.299 11.933 1.060 1.00 0.00 C ATOM 151 CG LEU A 14 -12.820 12.032 0.934 1.00 0.00 C ATOM 152 CD1 LEU A 14 -13.507 11.600 2.231 1.00 0.00 C ATOM 153 CD2 LEU A 14 -13.244 13.436 0.501 1.00 0.00 C ATOM 0 H LEU A 14 -9.596 10.179 0.202 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.226 12.331 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.056 10.992 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.956 12.734 1.715 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.144 11.343 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.588 11.680 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.242 10.567 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.182 12.245 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.330 13.479 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.907 14.162 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.798 13.669 -0.466 1.00 0.00 H new ATOM 165 N ASP A 15 -8.521 12.915 0.767 1.00 0.00 N ATOM 166 CA ASP A 15 -7.400 13.828 0.910 1.00 0.00 C ATOM 167 C ASP A 15 -6.211 13.299 0.107 1.00 0.00 C ATOM 168 O ASP A 15 -5.795 13.916 -0.872 1.00 0.00 O ATOM 169 CB ASP A 15 -6.969 13.944 2.374 1.00 0.00 C ATOM 170 CG ASP A 15 -6.006 15.095 2.674 1.00 0.00 C ATOM 171 OD1 ASP A 15 -6.513 16.213 2.907 1.00 0.00 O ATOM 172 OD2 ASP A 15 -4.785 14.830 2.664 1.00 0.00 O ATOM 0 H ASP A 15 -8.576 12.191 1.484 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.713 14.807 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.859 14.065 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.498 13.008 2.674 1.00 0.00 H new ATOM 177 N ALA A 16 -5.696 12.162 0.552 1.00 0.00 N ATOM 178 CA ALA A 16 -4.562 11.542 -0.113 1.00 0.00 C ATOM 179 C ALA A 16 -4.099 10.332 0.699 1.00 0.00 C ATOM 180 O ALA A 16 -2.899 10.099 0.844 1.00 0.00 O ATOM 181 CB ALA A 16 -3.452 12.578 -0.301 1.00 0.00 C ATOM 0 H ALA A 16 -6.043 11.654 1.365 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.846 11.185 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.601 12.113 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.823 13.403 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.139 12.957 0.672 1.00 0.00 H new ATOM 187 N THR A 17 -5.073 9.593 1.209 1.00 0.00 N ATOM 188 CA THR A 17 -4.780 8.412 2.003 1.00 0.00 C ATOM 189 C THR A 17 -5.264 7.151 1.284 1.00 0.00 C ATOM 190 O THR A 17 -6.251 7.191 0.551 1.00 0.00 O ATOM 191 CB THR A 17 -5.409 8.603 3.384 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.692 9.701 3.943 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.107 7.440 4.332 1.00 0.00 C ATOM 0 H THR A 17 -6.067 9.789 1.088 1.00 0.00 H new ATOM 0 HA THR A 17 -3.706 8.281 2.134 1.00 0.00 H new ATOM 0 HB THR A 17 -6.488 8.714 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.283 10.210 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.577 7.626 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.500 6.515 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.029 7.349 4.465 1.00 0.00 H new ATOM 201 N VAL A 18 -4.548 6.062 1.519 1.00 0.00 N ATOM 202 CA VAL A 18 -4.892 4.792 0.903 1.00 0.00 C ATOM 203 C VAL A 18 -4.679 3.665 1.915 1.00 0.00 C ATOM 204 O VAL A 18 -3.704 3.676 2.665 1.00 0.00 O ATOM 205 CB VAL A 18 -4.088 4.600 -0.385 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.250 5.802 -1.317 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.612 4.340 -0.076 1.00 0.00 C ATOM 0 H VAL A 18 -3.730 6.033 2.128 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.944 4.778 0.618 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.482 3.723 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.668 5.640 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.302 5.922 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.895 6.702 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.063 4.207 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.200 5.188 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.520 3.439 0.531 1.00 0.00 H new ATOM 217 N VAL A 19 -5.606 2.718 1.903 1.00 0.00 N ATOM 218 CA VAL A 19 -5.532 1.586 2.810 1.00 0.00 C ATOM 219 C VAL A 19 -4.866 0.408 2.096 1.00 0.00 C ATOM 220 O VAL A 19 -5.313 -0.008 1.028 1.00 0.00 O ATOM 221 CB VAL A 19 -6.926 1.251 3.344 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.861 0.831 2.209 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.854 0.169 4.424 1.00 0.00 C ATOM 0 H VAL A 19 -6.413 2.712 1.279 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.917 1.831 3.676 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.336 2.152 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.845 0.598 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.949 1.645 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.456 -0.050 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.858 -0.050 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.414 -0.736 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.238 0.521 5.252 1.00 0.00 H new ATOM 233 N VAL A 20 -3.807 -0.096 2.713 1.00 0.00 N ATOM 234 CA VAL A 20 -3.076 -1.217 2.150 1.00 0.00 C ATOM 235 C VAL A 20 -3.445 -2.494 2.907 1.00 0.00 C ATOM 236 O VAL A 20 -3.519 -2.493 4.135 1.00 0.00 O ATOM 237 CB VAL A 20 -1.574 -0.925 2.168 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.763 -2.222 2.191 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.172 -0.048 0.981 1.00 0.00 C ATOM 0 H VAL A 20 -3.438 0.252 3.598 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.352 -1.366 1.106 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.351 -0.375 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.301 -1.986 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.018 -2.795 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.993 -2.811 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.100 0.145 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.417 -0.560 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.712 0.898 1.028 1.00 0.00 H new ATOM 249 N ASN A 21 -3.669 -3.554 2.143 1.00 0.00 N ATOM 250 CA ASN A 21 -4.029 -4.834 2.727 1.00 0.00 C ATOM 251 C ASN A 21 -3.592 -5.960 1.786 1.00 0.00 C ATOM 252 O ASN A 21 -3.860 -5.910 0.587 1.00 0.00 O ATOM 253 CB ASN A 21 -5.542 -4.944 2.923 1.00 0.00 C ATOM 254 CG ASN A 21 -6.157 -3.575 3.222 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.081 -2.647 2.434 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.768 -3.502 4.401 1.00 0.00 N ATOM 0 H ASN A 21 -3.608 -3.552 1.125 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.533 -4.915 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.999 -5.364 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.757 -5.630 3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.210 -2.630 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.795 -4.318 5.013 1.00 0.00 H new ATOM 263 N LEU A 22 -2.926 -6.947 2.366 1.00 0.00 N ATOM 264 CA LEU A 22 -2.449 -8.083 1.595 1.00 0.00 C ATOM 265 C LEU A 22 -3.646 -8.900 1.105 1.00 0.00 C ATOM 266 O LEU A 22 -4.678 -8.957 1.773 1.00 0.00 O ATOM 267 CB LEU A 22 -1.440 -8.896 2.408 1.00 0.00 C ATOM 268 CG LEU A 22 0.033 -8.533 2.206 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.290 -7.069 2.567 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.944 -9.484 2.985 1.00 0.00 C ATOM 0 H LEU A 22 -2.705 -6.984 3.361 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.911 -7.744 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.680 -8.783 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.571 -9.950 2.163 1.00 0.00 H new ATOM 0 HG LEU A 22 0.273 -8.652 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.344 -6.836 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.319 -6.425 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.028 -6.901 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.985 -9.204 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.711 -9.421 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.785 -10.505 2.639 1.00 0.00 H new ATOM 282 N GLN A 23 -3.469 -9.511 -0.057 1.00 0.00 N ATOM 283 CA GLN A 23 -4.522 -10.323 -0.644 1.00 0.00 C ATOM 284 C GLN A 23 -4.590 -11.685 0.048 1.00 0.00 C ATOM 285 O GLN A 23 -5.630 -12.062 0.585 1.00 0.00 O ATOM 286 CB GLN A 23 -4.315 -10.483 -2.151 1.00 0.00 C ATOM 287 CG GLN A 23 -4.786 -9.237 -2.905 1.00 0.00 C ATOM 288 CD GLN A 23 -5.002 -9.543 -4.388 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.412 -10.626 -4.772 1.00 0.00 O ATOM 290 NE2 GLN A 23 -4.704 -8.531 -5.198 1.00 0.00 N ATOM 0 H GLN A 23 -2.612 -9.460 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.474 -9.813 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.260 -10.662 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.863 -11.356 -2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.714 -8.871 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.048 -8.442 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.365 -7.650 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.814 -8.636 -6.207 1.00 0.00 H new ATOM 299 N SER A 24 -3.467 -12.388 0.013 1.00 0.00 N ATOM 300 CA SER A 24 -3.386 -13.701 0.630 1.00 0.00 C ATOM 301 C SER A 24 -2.178 -13.766 1.566 1.00 0.00 C ATOM 302 O SER A 24 -1.193 -14.441 1.270 1.00 0.00 O ATOM 303 CB SER A 24 -3.297 -14.802 -0.428 1.00 0.00 C ATOM 304 OG SER A 24 -2.079 -14.738 -1.164 1.00 0.00 O ATOM 0 H SER A 24 -2.606 -12.073 -0.433 1.00 0.00 H new ATOM 0 HA SER A 24 -4.295 -13.863 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.378 -15.776 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.140 -14.715 -1.114 1.00 0.00 H new ATOM 0 HG SER A 24 -1.330 -14.607 -0.546 1.00 0.00 H new ATOM 310 N PRO A 25 -2.295 -13.035 2.708 1.00 0.00 N ATOM 311 CA PRO A 25 -1.224 -13.003 3.689 1.00 0.00 C ATOM 312 C PRO A 25 -1.173 -14.307 4.488 1.00 0.00 C ATOM 313 O PRO A 25 -2.185 -14.993 4.628 1.00 0.00 O ATOM 314 CB PRO A 25 -1.519 -11.788 4.554 1.00 0.00 C ATOM 315 CG PRO A 25 -2.984 -11.457 4.321 1.00 0.00 C ATOM 316 CD PRO A 25 -3.446 -12.224 3.092 1.00 0.00 C ATOM 0 HA PRO A 25 -0.238 -12.921 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.329 -12.002 5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.880 -10.949 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.581 -11.734 5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.114 -10.385 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.312 -12.847 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.739 -11.547 2.290 1.00 0.00 H new ATOM 324 N THR A 26 0.015 -14.610 4.990 1.00 0.00 N ATOM 325 CA THR A 26 0.210 -15.820 5.771 1.00 0.00 C ATOM 326 C THR A 26 -0.096 -15.557 7.247 1.00 0.00 C ATOM 327 O THR A 26 -0.831 -14.628 7.576 1.00 0.00 O ATOM 328 CB THR A 26 1.637 -16.315 5.525 1.00 0.00 C ATOM 329 OG1 THR A 26 1.703 -17.550 6.235 1.00 0.00 O ATOM 330 CG2 THR A 26 2.688 -15.437 6.208 1.00 0.00 C ATOM 0 H THR A 26 0.852 -14.039 4.871 1.00 0.00 H new ATOM 0 HA THR A 26 -0.480 -16.606 5.464 1.00 0.00 H new ATOM 0 HB THR A 26 1.831 -16.345 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.519 -17.572 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.682 -15.833 6.001 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.616 -14.419 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.515 -15.433 7.284 1.00 0.00 H new ATOM 338 N LEU A 27 0.483 -16.393 8.096 1.00 0.00 N ATOM 339 CA LEU A 27 0.281 -16.263 9.529 1.00 0.00 C ATOM 340 C LEU A 27 1.114 -15.091 10.053 1.00 0.00 C ATOM 341 O LEU A 27 0.684 -14.373 10.954 1.00 0.00 O ATOM 342 CB LEU A 27 0.574 -17.589 10.234 1.00 0.00 C ATOM 343 CG LEU A 27 -0.464 -18.696 10.038 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.839 -18.840 8.562 1.00 0.00 C ATOM 345 CD2 LEU A 27 0.024 -20.017 10.636 1.00 0.00 C ATOM 0 H LEU A 27 1.092 -17.163 7.819 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.763 -16.036 9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.539 -17.957 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.673 -17.396 11.302 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.370 -18.414 10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.578 -19.633 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.257 -17.901 8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.051 -19.089 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.732 -20.787 10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.951 -20.317 10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.201 -19.889 11.704 1.00 0.00 H new ATOM 357 N GLU A 28 2.292 -14.935 9.466 1.00 0.00 N ATOM 358 CA GLU A 28 3.189 -13.863 9.862 1.00 0.00 C ATOM 359 C GLU A 28 2.590 -12.505 9.489 1.00 0.00 C ATOM 360 O GLU A 28 2.949 -11.483 10.072 1.00 0.00 O ATOM 361 CB GLU A 28 4.572 -14.044 9.233 1.00 0.00 C ATOM 362 CG GLU A 28 4.540 -13.722 7.737 1.00 0.00 C ATOM 363 CD GLU A 28 5.582 -12.659 7.383 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.833 -11.799 8.253 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.103 -12.732 6.249 1.00 0.00 O ATOM 0 H GLU A 28 2.646 -15.533 8.719 1.00 0.00 H new ATOM 0 HA GLU A 28 3.311 -13.899 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.291 -13.395 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.911 -15.069 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.730 -14.628 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.547 -13.370 7.458 1.00 0.00 H new ATOM 372 N GLU A 29 1.688 -12.538 8.519 1.00 0.00 N ATOM 373 CA GLU A 29 1.037 -11.322 8.062 1.00 0.00 C ATOM 374 C GLU A 29 -0.308 -11.142 8.769 1.00 0.00 C ATOM 375 O GLU A 29 -0.713 -10.018 9.064 1.00 0.00 O ATOM 376 CB GLU A 29 0.859 -11.334 6.542 1.00 0.00 C ATOM 377 CG GLU A 29 2.152 -10.920 5.836 1.00 0.00 C ATOM 378 CD GLU A 29 2.531 -11.930 4.750 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.634 -12.260 3.944 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.709 -12.349 4.751 1.00 0.00 O ATOM 0 H GLU A 29 1.393 -13.387 8.037 1.00 0.00 H new ATOM 0 HA GLU A 29 1.675 -10.475 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.565 -12.331 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.054 -10.655 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.028 -9.932 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.960 -10.843 6.564 1.00 0.00 H new ATOM 387 N LYS A 30 -0.963 -12.266 9.022 1.00 0.00 N ATOM 388 CA LYS A 30 -2.253 -12.246 9.689 1.00 0.00 C ATOM 389 C LYS A 30 -2.078 -11.714 11.113 1.00 0.00 C ATOM 390 O LYS A 30 -3.016 -11.175 11.698 1.00 0.00 O ATOM 391 CB LYS A 30 -2.911 -13.626 9.625 1.00 0.00 C ATOM 392 CG LYS A 30 -4.075 -13.632 8.632 1.00 0.00 C ATOM 393 CD LYS A 30 -3.790 -14.571 7.458 1.00 0.00 C ATOM 394 CE LYS A 30 -5.080 -15.211 6.942 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.839 -15.895 5.652 1.00 0.00 N ATOM 0 H LYS A 30 -0.624 -13.196 8.777 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.936 -11.568 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.173 -14.372 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.271 -13.908 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.988 -13.944 9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.246 -12.622 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.308 -14.016 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.094 -15.349 7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.457 -15.925 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.847 -14.447 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.594 -15.647 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.921 -15.595 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.832 -16.924 5.801 1.00 0.00 H new ATOM 409 N ASN A 31 -0.870 -11.885 11.630 1.00 0.00 N ATOM 410 CA ASN A 31 -0.559 -11.429 12.974 1.00 0.00 C ATOM 411 C ASN A 31 -0.283 -9.925 12.947 1.00 0.00 C ATOM 412 O ASN A 31 -0.817 -9.177 13.764 1.00 0.00 O ATOM 413 CB ASN A 31 0.687 -12.129 13.519 1.00 0.00 C ATOM 414 CG ASN A 31 0.389 -12.820 14.852 1.00 0.00 C ATOM 415 OD1 ASN A 31 0.258 -14.029 14.938 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.290 -11.985 15.883 1.00 0.00 N ATOM 0 H ASN A 31 -0.095 -12.333 11.142 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.411 -11.660 13.614 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.041 -12.863 12.796 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.488 -11.402 13.653 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.093 -12.348 16.816 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.411 -10.982 15.741 1.00 0.00 H new ATOM 423 N GLU A 32 0.552 -9.526 11.998 1.00 0.00 N ATOM 424 CA GLU A 32 0.906 -8.124 11.853 1.00 0.00 C ATOM 425 C GLU A 32 1.806 -7.928 10.631 1.00 0.00 C ATOM 426 O GLU A 32 2.836 -8.587 10.502 1.00 0.00 O ATOM 427 CB GLU A 32 1.579 -7.595 13.121 1.00 0.00 C ATOM 428 CG GLU A 32 0.704 -6.547 13.810 1.00 0.00 C ATOM 429 CD GLU A 32 0.677 -6.764 15.324 1.00 0.00 C ATOM 430 OE1 GLU A 32 1.780 -6.850 15.905 1.00 0.00 O ATOM 431 OE2 GLU A 32 -0.447 -6.839 15.866 1.00 0.00 O ATOM 0 H GLU A 32 0.994 -10.149 11.322 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.009 -7.551 11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.771 -8.421 13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.545 -7.158 12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.083 -5.549 13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.310 -6.598 13.414 1.00 0.00 H new ATOM 438 N PHE A 33 1.384 -7.018 9.766 1.00 0.00 N ATOM 439 CA PHE A 33 2.139 -6.726 8.559 1.00 0.00 C ATOM 440 C PHE A 33 3.642 -6.712 8.843 1.00 0.00 C ATOM 441 O PHE A 33 4.093 -6.070 9.790 1.00 0.00 O ATOM 442 CB PHE A 33 1.708 -5.336 8.087 1.00 0.00 C ATOM 443 CG PHE A 33 1.923 -5.092 6.592 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.183 -5.079 6.080 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.855 -4.887 5.776 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.383 -4.853 4.692 1.00 0.00 C ATOM 447 CE2 PHE A 33 1.055 -4.660 4.388 1.00 0.00 C ATOM 448 CZ PHE A 33 2.315 -4.648 3.876 1.00 0.00 C ATOM 0 H PHE A 33 0.529 -6.473 9.877 1.00 0.00 H new ATOM 0 HA PHE A 33 1.946 -7.489 7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.652 -5.196 8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.261 -4.585 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.031 -5.240 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.145 -4.897 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.383 -4.844 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.207 -4.497 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.467 -4.476 2.821 1.00 0.00 H new ATOM 458 N PRO A 34 4.396 -7.447 7.982 1.00 0.00 N ATOM 459 CA PRO A 34 5.839 -7.525 8.131 1.00 0.00 C ATOM 460 C PRO A 34 6.509 -6.230 7.666 1.00 0.00 C ATOM 461 O PRO A 34 6.203 -5.720 6.589 1.00 0.00 O ATOM 462 CB PRO A 34 6.254 -8.736 7.311 1.00 0.00 C ATOM 463 CG PRO A 34 5.099 -9.013 6.363 1.00 0.00 C ATOM 464 CD PRO A 34 3.896 -8.220 6.849 1.00 0.00 C ATOM 0 HA PRO A 34 6.149 -7.638 9.170 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.173 -8.538 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.447 -9.595 7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.362 -8.723 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.870 -10.079 6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.508 -7.569 6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.081 -8.880 7.148 1.00 0.00 H new ATOM 472 N GLU A 35 7.411 -5.735 8.502 1.00 0.00 N ATOM 473 CA GLU A 35 8.126 -4.510 8.190 1.00 0.00 C ATOM 474 C GLU A 35 8.956 -4.688 6.917 1.00 0.00 C ATOM 475 O GLU A 35 9.004 -3.796 6.073 1.00 0.00 O ATOM 476 CB GLU A 35 9.008 -4.076 9.363 1.00 0.00 C ATOM 477 CG GLU A 35 8.246 -4.172 10.686 1.00 0.00 C ATOM 478 CD GLU A 35 8.125 -2.799 11.350 1.00 0.00 C ATOM 479 OE1 GLU A 35 8.209 -1.799 10.605 1.00 0.00 O ATOM 480 OE2 GLU A 35 7.951 -2.781 12.588 1.00 0.00 O ATOM 0 H GLU A 35 7.662 -6.160 9.394 1.00 0.00 H new ATOM 0 HA GLU A 35 7.395 -3.721 8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.898 -4.704 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.347 -3.052 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.252 -4.583 10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.760 -4.860 11.357 1.00 0.00 H new ATOM 487 N ASP A 36 9.589 -5.848 6.820 1.00 0.00 N ATOM 488 CA ASP A 36 10.415 -6.156 5.665 1.00 0.00 C ATOM 489 C ASP A 36 9.606 -5.919 4.388 1.00 0.00 C ATOM 490 O ASP A 36 10.168 -5.591 3.344 1.00 0.00 O ATOM 491 CB ASP A 36 10.859 -7.620 5.679 1.00 0.00 C ATOM 492 CG ASP A 36 11.349 -8.160 4.334 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.441 -7.723 3.911 1.00 0.00 O ATOM 494 OD2 ASP A 36 10.621 -8.998 3.759 1.00 0.00 O ATOM 0 H ASP A 36 9.546 -6.586 7.523 1.00 0.00 H new ATOM 0 HA ASP A 36 11.294 -5.513 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.657 -7.735 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.024 -8.234 6.018 1.00 0.00 H new ATOM 499 N LEU A 37 8.299 -6.095 4.513 1.00 0.00 N ATOM 500 CA LEU A 37 7.407 -5.905 3.381 1.00 0.00 C ATOM 501 C LEU A 37 7.000 -4.433 3.300 1.00 0.00 C ATOM 502 O LEU A 37 7.150 -3.801 2.255 1.00 0.00 O ATOM 503 CB LEU A 37 6.219 -6.867 3.468 1.00 0.00 C ATOM 504 CG LEU A 37 6.532 -8.343 3.214 1.00 0.00 C ATOM 505 CD1 LEU A 37 5.257 -9.126 2.893 1.00 0.00 C ATOM 506 CD2 LEU A 37 7.591 -8.499 2.121 1.00 0.00 C ATOM 0 H LEU A 37 7.836 -6.367 5.380 1.00 0.00 H new ATOM 0 HA LEU A 37 7.917 -6.147 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.775 -6.776 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.464 -6.547 2.749 1.00 0.00 H new ATOM 0 HG LEU A 37 6.949 -8.766 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.507 -10.172 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.565 -9.055 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.789 -8.709 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.795 -9.558 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.226 -8.055 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.508 -7.996 2.428 1.00 0.00 H new ATOM 518 N ARG A 38 6.495 -3.928 4.416 1.00 0.00 N ATOM 519 CA ARG A 38 6.066 -2.541 4.483 1.00 0.00 C ATOM 520 C ARG A 38 7.022 -1.651 3.687 1.00 0.00 C ATOM 521 O ARG A 38 6.652 -1.114 2.644 1.00 0.00 O ATOM 522 CB ARG A 38 6.011 -2.052 5.932 1.00 0.00 C ATOM 523 CG ARG A 38 4.623 -2.276 6.534 1.00 0.00 C ATOM 524 CD ARG A 38 4.722 -2.941 7.908 1.00 0.00 C ATOM 525 NE ARG A 38 5.283 -1.989 8.893 1.00 0.00 N ATOM 526 CZ ARG A 38 5.145 -2.113 10.220 1.00 0.00 C ATOM 527 NH1 ARG A 38 4.464 -3.148 10.729 1.00 0.00 N ATOM 528 NH2 ARG A 38 5.688 -1.200 11.037 1.00 0.00 N ATOM 0 H ARG A 38 6.373 -4.454 5.281 1.00 0.00 H new ATOM 0 HA ARG A 38 5.066 -2.481 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.758 -2.579 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.262 -0.992 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.104 -1.322 6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.029 -2.900 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.736 -3.273 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.353 -3.828 7.847 1.00 0.00 H new ATOM 0 HE ARG A 38 5.807 -1.189 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.050 -3.842 10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.359 -3.242 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.206 -0.412 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.584 -1.293 12.047 1.00 0.00 H new ATOM 542 N THR A 39 8.233 -1.522 4.208 1.00 0.00 N ATOM 543 CA THR A 39 9.244 -0.706 3.559 1.00 0.00 C ATOM 544 C THR A 39 9.165 -0.867 2.040 1.00 0.00 C ATOM 545 O THR A 39 8.977 0.111 1.317 1.00 0.00 O ATOM 546 CB THR A 39 10.607 -1.090 4.140 1.00 0.00 C ATOM 547 OG1 THR A 39 10.562 -0.605 5.479 1.00 0.00 O ATOM 548 CG2 THR A 39 11.757 -0.311 3.500 1.00 0.00 C ATOM 0 H THR A 39 8.537 -1.969 5.073 1.00 0.00 H new ATOM 0 HA THR A 39 9.079 0.354 3.751 1.00 0.00 H new ATOM 0 HB THR A 39 10.772 -2.159 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.406 -0.813 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.701 -0.622 3.948 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.781 -0.512 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.610 0.756 3.666 1.00 0.00 H new ATOM 556 N GLU A 40 9.312 -2.108 1.599 1.00 0.00 N ATOM 557 CA GLU A 40 9.260 -2.409 0.179 1.00 0.00 C ATOM 558 C GLU A 40 8.130 -1.622 -0.489 1.00 0.00 C ATOM 559 O GLU A 40 8.282 -1.145 -1.613 1.00 0.00 O ATOM 560 CB GLU A 40 9.094 -3.912 -0.057 1.00 0.00 C ATOM 561 CG GLU A 40 10.294 -4.483 -0.815 1.00 0.00 C ATOM 562 CD GLU A 40 10.465 -3.794 -2.170 1.00 0.00 C ATOM 563 OE1 GLU A 40 9.485 -3.816 -2.945 1.00 0.00 O ATOM 564 OE2 GLU A 40 11.572 -3.261 -2.400 1.00 0.00 O ATOM 0 H GLU A 40 9.467 -2.917 2.201 1.00 0.00 H new ATOM 0 HA GLU A 40 10.205 -2.105 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.986 -4.424 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.181 -4.096 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.199 -4.354 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.159 -5.555 -0.962 1.00 0.00 H new ATOM 571 N LEU A 41 7.024 -1.510 0.231 1.00 0.00 N ATOM 572 CA LEU A 41 5.870 -0.789 -0.278 1.00 0.00 C ATOM 573 C LEU A 41 6.080 0.712 -0.071 1.00 0.00 C ATOM 574 O LEU A 41 6.008 1.489 -1.022 1.00 0.00 O ATOM 575 CB LEU A 41 4.583 -1.323 0.354 1.00 0.00 C ATOM 576 CG LEU A 41 3.606 -2.018 -0.597 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.041 -3.459 -0.872 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.174 -1.943 -0.064 1.00 0.00 C ATOM 0 H LEU A 41 6.902 -1.906 1.163 1.00 0.00 H new ATOM 0 HA LEU A 41 5.762 -0.951 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.853 -2.026 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.065 -0.492 0.832 1.00 0.00 H new ATOM 0 HG LEU A 41 3.622 -1.489 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.330 -3.931 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.032 -3.460 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.072 -4.015 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.500 -2.444 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.122 -2.432 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.878 -0.899 0.038 1.00 0.00 H new ATOM 590 N MET A 42 6.335 1.075 1.177 1.00 0.00 N ATOM 591 CA MET A 42 6.556 2.469 1.521 1.00 0.00 C ATOM 592 C MET A 42 7.415 3.165 0.464 1.00 0.00 C ATOM 593 O MET A 42 7.071 4.248 -0.006 1.00 0.00 O ATOM 594 CB MET A 42 7.250 2.556 2.882 1.00 0.00 C ATOM 595 CG MET A 42 6.460 1.797 3.950 1.00 0.00 C ATOM 596 SD MET A 42 4.728 2.214 3.839 1.00 0.00 S ATOM 597 CE MET A 42 4.005 0.713 4.481 1.00 0.00 C ATOM 0 H MET A 42 6.394 0.427 1.963 1.00 0.00 H new ATOM 0 HA MET A 42 5.589 2.971 1.564 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.257 2.144 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.354 3.601 3.175 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.593 0.723 3.818 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.840 2.046 4.941 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.036 0.938 4.927 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.874 -0.003 3.670 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.663 0.287 5.238 1.00 0.00 H new ATOM 607 N GLN A 43 8.517 2.514 0.121 1.00 0.00 N ATOM 608 CA GLN A 43 9.429 3.057 -0.871 1.00 0.00 C ATOM 609 C GLN A 43 8.814 2.955 -2.269 1.00 0.00 C ATOM 610 O GLN A 43 8.839 3.918 -3.033 1.00 0.00 O ATOM 611 CB GLN A 43 10.784 2.349 -0.816 1.00 0.00 C ATOM 612 CG GLN A 43 10.707 0.964 -1.462 1.00 0.00 C ATOM 613 CD GLN A 43 12.023 0.203 -1.288 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.600 0.148 -0.215 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.463 -0.377 -2.401 1.00 0.00 N ATOM 0 H GLN A 43 8.799 1.615 0.513 1.00 0.00 H new ATOM 0 HA GLN A 43 9.597 4.110 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.534 2.952 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.106 2.253 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.892 0.395 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.479 1.066 -2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.930 -0.291 -3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.334 -0.908 -2.389 1.00 0.00 H new ATOM 624 N THR A 44 8.276 1.779 -2.559 1.00 0.00 N ATOM 625 CA THR A 44 7.655 1.539 -3.851 1.00 0.00 C ATOM 626 C THR A 44 6.540 2.556 -4.104 1.00 0.00 C ATOM 627 O THR A 44 6.651 3.396 -4.996 1.00 0.00 O ATOM 628 CB THR A 44 7.173 0.088 -3.882 1.00 0.00 C ATOM 629 OG1 THR A 44 8.363 -0.669 -4.086 1.00 0.00 O ATOM 630 CG2 THR A 44 6.319 -0.220 -5.113 1.00 0.00 C ATOM 0 H THR A 44 8.257 0.983 -1.922 1.00 0.00 H new ATOM 0 HA THR A 44 8.368 1.677 -4.664 1.00 0.00 H new ATOM 0 HB THR A 44 6.598 -0.122 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.544 -1.214 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.003 -1.263 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.440 0.425 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.904 -0.042 -6.015 1.00 0.00 H new ATOM 638 N LEU A 45 5.490 2.445 -3.304 1.00 0.00 N ATOM 639 CA LEU A 45 4.355 3.344 -3.430 1.00 0.00 C ATOM 640 C LEU A 45 4.838 4.790 -3.295 1.00 0.00 C ATOM 641 O LEU A 45 4.155 5.718 -3.723 1.00 0.00 O ATOM 642 CB LEU A 45 3.259 2.966 -2.432 1.00 0.00 C ATOM 643 CG LEU A 45 2.812 1.503 -2.449 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.852 1.209 -1.294 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.208 1.130 -3.804 1.00 0.00 C ATOM 0 H LEU A 45 5.401 1.746 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 45 3.902 3.250 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.610 3.206 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.389 3.593 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 45 3.692 0.876 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.550 0.162 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.351 1.411 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.971 1.844 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.899 0.085 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.342 1.762 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.952 1.277 -4.587 1.00 0.00 H new ATOM 657 N GLY A 46 6.012 4.935 -2.698 1.00 0.00 N ATOM 658 CA GLY A 46 6.594 6.252 -2.501 1.00 0.00 C ATOM 659 C GLY A 46 6.782 6.973 -3.837 1.00 0.00 C ATOM 660 O GLY A 46 6.298 8.089 -4.018 1.00 0.00 O ATOM 0 H GLY A 46 6.576 4.162 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.950 6.845 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.555 6.157 -1.996 1.00 0.00 H new ATOM 664 N SER A 47 7.487 6.305 -4.739 1.00 0.00 N ATOM 665 CA SER A 47 7.746 6.869 -6.053 1.00 0.00 C ATOM 666 C SER A 47 6.494 7.579 -6.574 1.00 0.00 C ATOM 667 O SER A 47 6.541 8.762 -6.908 1.00 0.00 O ATOM 668 CB SER A 47 8.190 5.787 -7.039 1.00 0.00 C ATOM 669 OG SER A 47 9.586 5.859 -7.316 1.00 0.00 O ATOM 0 H SER A 47 7.887 5.379 -4.586 1.00 0.00 H new ATOM 0 HA SER A 47 8.555 7.593 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.951 4.805 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.630 5.891 -7.968 1.00 0.00 H new ATOM 0 HG SER A 47 9.831 5.151 -7.948 1.00 0.00 H new ATOM 675 N TYR A 48 5.405 6.826 -6.626 1.00 0.00 N ATOM 676 CA TYR A 48 4.143 7.369 -7.100 1.00 0.00 C ATOM 677 C TYR A 48 3.811 8.685 -6.394 1.00 0.00 C ATOM 678 O TYR A 48 3.465 9.671 -7.042 1.00 0.00 O ATOM 679 CB TYR A 48 3.077 6.330 -6.745 1.00 0.00 C ATOM 680 CG TYR A 48 3.199 5.021 -7.527 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.989 3.998 -7.042 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.518 4.862 -8.717 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.103 2.766 -7.779 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.632 3.630 -9.453 1.00 0.00 C ATOM 685 CZ TYR A 48 3.419 2.643 -8.948 1.00 0.00 C ATOM 686 OH TYR A 48 3.527 1.479 -9.643 1.00 0.00 O ATOM 0 H TYR A 48 5.370 5.845 -6.348 1.00 0.00 H new ATOM 0 HA TYR A 48 4.190 7.571 -8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.138 6.111 -5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.092 6.759 -6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.521 4.122 -6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.899 5.662 -9.096 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.718 1.958 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.104 3.493 -10.385 1.00 0.00 H new ATOM 0 HH TYR A 48 3.684 0.739 -9.020 1.00 0.00 H new ATOM 696 N GLY A 49 3.929 8.657 -5.074 1.00 0.00 N ATOM 697 CA GLY A 49 3.646 9.835 -4.273 1.00 0.00 C ATOM 698 C GLY A 49 4.919 10.366 -3.610 1.00 0.00 C ATOM 699 O GLY A 49 5.968 10.446 -4.248 1.00 0.00 O ATOM 0 H GLY A 49 4.217 7.837 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.209 10.610 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.908 9.591 -3.509 1.00 0.00 H new ATOM 703 N THR A 50 4.785 10.715 -2.339 1.00 0.00 N ATOM 704 CA THR A 50 5.911 11.236 -1.583 1.00 0.00 C ATOM 705 C THR A 50 5.760 10.897 -0.099 1.00 0.00 C ATOM 706 O THR A 50 6.390 11.524 0.752 1.00 0.00 O ATOM 707 CB THR A 50 6.010 12.738 -1.857 1.00 0.00 C ATOM 708 OG1 THR A 50 7.408 13.011 -1.799 1.00 0.00 O ATOM 709 CG2 THR A 50 5.419 13.580 -0.724 1.00 0.00 C ATOM 0 H THR A 50 3.913 10.647 -1.814 1.00 0.00 H new ATOM 0 HA THR A 50 6.846 10.772 -1.896 1.00 0.00 H new ATOM 0 HB THR A 50 5.496 12.971 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.562 13.964 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.515 14.638 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.365 13.331 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.955 13.372 0.202 1.00 0.00 H new ATOM 717 N ILE A 51 4.921 9.907 0.167 1.00 0.00 N ATOM 718 CA ILE A 51 4.679 9.477 1.533 1.00 0.00 C ATOM 719 C ILE A 51 4.702 10.696 2.458 1.00 0.00 C ATOM 720 O ILE A 51 5.751 11.055 2.992 1.00 0.00 O ATOM 721 CB ILE A 51 5.670 8.382 1.934 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.506 7.144 1.050 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.542 8.046 3.421 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.188 6.427 1.350 1.00 0.00 C ATOM 0 H ILE A 51 4.400 9.390 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 51 3.690 9.027 1.621 1.00 0.00 H new ATOM 0 HB ILE A 51 6.680 8.759 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.535 7.436 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.341 6.462 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.257 7.265 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.747 8.937 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.531 7.696 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.096 5.551 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.173 6.115 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.355 7.104 1.162 1.00 0.00 H new ATOM 736 N VAL A 52 3.534 11.299 2.619 1.00 0.00 N ATOM 737 CA VAL A 52 3.407 12.470 3.469 1.00 0.00 C ATOM 738 C VAL A 52 3.208 12.023 4.919 1.00 0.00 C ATOM 739 O VAL A 52 3.410 12.805 5.847 1.00 0.00 O ATOM 740 CB VAL A 52 2.276 13.367 2.961 1.00 0.00 C ATOM 741 CG1 VAL A 52 1.714 14.234 4.089 1.00 0.00 C ATOM 742 CG2 VAL A 52 2.746 14.230 1.788 1.00 0.00 C ATOM 0 H VAL A 52 2.666 10.998 2.175 1.00 0.00 H new ATOM 0 HA VAL A 52 4.318 13.067 3.434 1.00 0.00 H new ATOM 0 HB VAL A 52 1.473 12.723 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.912 14.862 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.323 13.594 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.506 14.865 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.923 14.858 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.575 14.861 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.075 13.587 0.972 1.00 0.00 H new ATOM 752 N LEU A 53 2.816 10.766 5.069 1.00 0.00 N ATOM 753 CA LEU A 53 2.588 10.206 6.390 1.00 0.00 C ATOM 754 C LEU A 53 2.086 8.767 6.249 1.00 0.00 C ATOM 755 O LEU A 53 1.472 8.416 5.242 1.00 0.00 O ATOM 756 CB LEU A 53 1.655 11.107 7.201 1.00 0.00 C ATOM 757 CG LEU A 53 2.107 11.432 8.626 1.00 0.00 C ATOM 758 CD1 LEU A 53 2.445 10.155 9.398 1.00 0.00 C ATOM 759 CD2 LEU A 53 3.273 12.423 8.618 1.00 0.00 C ATOM 0 H LEU A 53 2.651 10.120 4.297 1.00 0.00 H new ATOM 0 HA LEU A 53 3.521 10.165 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.526 12.044 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.676 10.631 7.251 1.00 0.00 H new ATOM 0 HG LEU A 53 1.279 11.913 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.763 10.414 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.563 9.516 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.249 9.624 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.575 12.637 9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.114 11.991 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.962 13.347 8.131 1.00 0.00 H new ATOM 771 N VAL A 54 2.365 7.974 7.272 1.00 0.00 N ATOM 772 CA VAL A 54 1.949 6.582 7.275 1.00 0.00 C ATOM 773 C VAL A 54 1.268 6.261 8.607 1.00 0.00 C ATOM 774 O VAL A 54 1.630 6.814 9.644 1.00 0.00 O ATOM 775 CB VAL A 54 3.148 5.677 6.984 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.686 5.048 8.271 1.00 0.00 C ATOM 777 CG2 VAL A 54 2.787 4.601 5.958 1.00 0.00 C ATOM 0 H VAL A 54 2.874 8.269 8.105 1.00 0.00 H new ATOM 0 HA VAL A 54 1.221 6.399 6.485 1.00 0.00 H new ATOM 0 HB VAL A 54 3.938 6.295 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.538 4.410 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.001 5.835 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.903 4.451 8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.657 3.972 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.973 3.988 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.474 5.075 5.028 1.00 0.00 H new ATOM 787 N ARG A 55 0.292 5.367 8.535 1.00 0.00 N ATOM 788 CA ARG A 55 -0.444 4.965 9.722 1.00 0.00 C ATOM 789 C ARG A 55 -0.933 3.522 9.581 1.00 0.00 C ATOM 790 O ARG A 55 -1.859 3.249 8.819 1.00 0.00 O ATOM 791 CB ARG A 55 -1.645 5.882 9.962 1.00 0.00 C ATOM 792 CG ARG A 55 -2.079 5.845 11.428 1.00 0.00 C ATOM 793 CD ARG A 55 -3.589 5.627 11.548 1.00 0.00 C ATOM 794 NE ARG A 55 -4.102 6.296 12.765 1.00 0.00 N ATOM 795 CZ ARG A 55 -5.344 6.137 13.242 1.00 0.00 C ATOM 796 NH1 ARG A 55 -6.207 5.331 12.608 1.00 0.00 N ATOM 797 NH2 ARG A 55 -5.723 6.783 14.353 1.00 0.00 N ATOM 0 H ARG A 55 -0.006 4.910 7.673 1.00 0.00 H new ATOM 0 HA ARG A 55 0.233 5.041 10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.389 6.903 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.475 5.574 9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.550 5.046 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.803 6.780 11.916 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.093 6.022 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.809 4.560 11.589 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.471 6.917 13.272 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.918 4.839 11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.153 5.210 12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.066 7.396 14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.669 6.662 14.716 1.00 0.00 H new ATOM 811 N ILE A 56 -0.288 2.637 10.326 1.00 0.00 N ATOM 812 CA ILE A 56 -0.645 1.229 10.294 1.00 0.00 C ATOM 813 C ILE A 56 -1.655 0.938 11.405 1.00 0.00 C ATOM 814 O ILE A 56 -1.563 1.500 12.496 1.00 0.00 O ATOM 815 CB ILE A 56 0.610 0.357 10.360 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.268 0.237 8.983 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.295 -1.013 10.964 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.598 -0.513 9.074 1.00 0.00 C ATOM 0 H ILE A 56 0.480 2.868 10.956 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.129 0.980 9.350 1.00 0.00 H new ATOM 0 HB ILE A 56 1.328 0.843 11.020 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.598 -0.285 8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.435 1.231 8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.204 -1.613 10.999 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.094 -0.885 11.974 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.450 -1.519 10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.044 -0.584 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.274 0.025 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.425 -1.515 9.466 1.00 0.00 H new ATOM 830 N ASN A 57 -2.596 0.060 11.090 1.00 0.00 N ATOM 831 CA ASN A 57 -3.623 -0.312 12.049 1.00 0.00 C ATOM 832 C ASN A 57 -3.434 -1.777 12.448 1.00 0.00 C ATOM 833 O ASN A 57 -2.783 -2.540 11.735 1.00 0.00 O ATOM 834 CB ASN A 57 -5.020 -0.163 11.445 1.00 0.00 C ATOM 835 CG ASN A 57 -6.100 -0.557 12.456 1.00 0.00 C ATOM 836 OD1 ASN A 57 -6.378 0.148 13.412 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.690 -1.719 12.192 1.00 0.00 N ATOM 0 H ASN A 57 -2.669 -0.404 10.185 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.532 0.346 12.913 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.174 0.868 11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.104 -0.788 10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.424 -2.070 12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.409 -2.259 11.374 1.00 0.00 H new ATOM 844 N GLN A 58 -4.015 -2.127 13.586 1.00 0.00 N ATOM 845 CA GLN A 58 -3.919 -3.487 14.089 1.00 0.00 C ATOM 846 C GLN A 58 -3.582 -4.451 12.950 1.00 0.00 C ATOM 847 O GLN A 58 -2.610 -5.200 13.033 1.00 0.00 O ATOM 848 CB GLN A 58 -5.211 -3.903 14.795 1.00 0.00 C ATOM 849 CG GLN A 58 -5.270 -3.330 16.213 1.00 0.00 C ATOM 850 CD GLN A 58 -5.770 -4.379 17.208 1.00 0.00 C ATOM 851 OE1 GLN A 58 -5.519 -5.566 17.076 1.00 0.00 O ATOM 852 NE2 GLN A 58 -6.489 -3.878 18.208 1.00 0.00 N ATOM 0 H GLN A 58 -4.554 -1.492 14.174 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.114 -3.526 14.823 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.071 -3.555 14.222 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.274 -4.990 14.835 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.280 -2.984 16.511 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.930 -2.463 16.231 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.662 -2.874 18.259 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.868 -4.498 18.924 1.00 0.00 H new ATOM 861 N GLY A 59 -4.404 -4.401 11.912 1.00 0.00 N ATOM 862 CA GLY A 59 -4.205 -5.260 10.757 1.00 0.00 C ATOM 863 C GLY A 59 -4.473 -4.501 9.456 1.00 0.00 C ATOM 864 O GLY A 59 -5.222 -4.973 8.601 1.00 0.00 O ATOM 0 H GLY A 59 -5.210 -3.779 11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.184 -5.642 10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.868 -6.122 10.822 1.00 0.00 H new ATOM 868 N GLN A 60 -3.847 -3.339 9.347 1.00 0.00 N ATOM 869 CA GLN A 60 -4.008 -2.510 8.164 1.00 0.00 C ATOM 870 C GLN A 60 -2.805 -1.580 8.000 1.00 0.00 C ATOM 871 O GLN A 60 -1.995 -1.439 8.915 1.00 0.00 O ATOM 872 CB GLN A 60 -5.313 -1.714 8.226 1.00 0.00 C ATOM 873 CG GLN A 60 -6.194 -2.009 7.011 1.00 0.00 C ATOM 874 CD GLN A 60 -7.575 -2.505 7.442 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.737 -3.167 8.454 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.559 -2.149 6.620 1.00 0.00 N ATOM 0 H GLN A 60 -3.227 -2.951 10.058 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.060 -3.162 7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.852 -1.964 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.091 -0.648 8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.300 -1.108 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.714 -2.759 6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.354 -1.594 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.518 -2.431 6.821 1.00 0.00 H new ATOM 885 N MET A 61 -2.726 -0.968 6.827 1.00 0.00 N ATOM 886 CA MET A 61 -1.635 -0.055 6.531 1.00 0.00 C ATOM 887 C MET A 61 -2.130 1.146 5.723 1.00 0.00 C ATOM 888 O MET A 61 -2.164 1.101 4.494 1.00 0.00 O ATOM 889 CB MET A 61 -0.552 -0.792 5.741 1.00 0.00 C ATOM 890 CG MET A 61 0.579 0.159 5.343 1.00 0.00 C ATOM 891 SD MET A 61 1.160 -0.237 3.702 1.00 0.00 S ATOM 892 CE MET A 61 1.941 -1.810 4.022 1.00 0.00 C ATOM 0 H MET A 61 -3.400 -1.087 6.071 1.00 0.00 H new ATOM 0 HA MET A 61 -1.225 0.309 7.473 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.151 -1.609 6.341 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.989 -1.238 4.847 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.226 1.190 5.374 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.399 0.081 6.057 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.622 -2.051 3.206 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.500 -1.755 4.956 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.179 -2.585 4.100 1.00 0.00 H new ATOM 902 N LEU A 62 -2.501 2.193 6.445 1.00 0.00 N ATOM 903 CA LEU A 62 -2.992 3.404 5.811 1.00 0.00 C ATOM 904 C LEU A 62 -1.806 4.296 5.437 1.00 0.00 C ATOM 905 O LEU A 62 -1.162 4.876 6.310 1.00 0.00 O ATOM 906 CB LEU A 62 -4.025 4.096 6.703 1.00 0.00 C ATOM 907 CG LEU A 62 -5.449 3.542 6.634 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.873 2.948 7.979 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.430 4.609 6.144 1.00 0.00 C ATOM 0 H LEU A 62 -2.471 2.227 7.464 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.515 3.164 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.682 4.035 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.054 5.153 6.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.464 2.732 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.889 2.561 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.196 2.137 8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.836 3.721 8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.435 4.189 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.418 5.456 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.137 4.943 5.149 1.00 0.00 H new ATOM 921 N VAL A 63 -1.554 4.379 4.139 1.00 0.00 N ATOM 922 CA VAL A 63 -0.457 5.190 3.640 1.00 0.00 C ATOM 923 C VAL A 63 -1.012 6.503 3.083 1.00 0.00 C ATOM 924 O VAL A 63 -2.028 6.506 2.389 1.00 0.00 O ATOM 925 CB VAL A 63 0.353 4.399 2.611 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.492 5.246 2.041 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.887 3.099 3.216 1.00 0.00 C ATOM 0 H VAL A 63 -2.091 3.898 3.418 1.00 0.00 H new ATOM 0 HA VAL A 63 0.229 5.444 4.448 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.314 4.138 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.052 4.660 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.080 6.131 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.157 5.552 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.459 2.556 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.531 3.330 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.052 2.484 3.551 1.00 0.00 H new ATOM 937 N THR A 64 -0.320 7.585 3.406 1.00 0.00 N ATOM 938 CA THR A 64 -0.731 8.901 2.947 1.00 0.00 C ATOM 939 C THR A 64 0.282 9.456 1.944 1.00 0.00 C ATOM 940 O THR A 64 1.462 9.110 1.991 1.00 0.00 O ATOM 941 CB THR A 64 -0.921 9.793 4.175 1.00 0.00 C ATOM 942 OG1 THR A 64 -1.807 9.052 5.009 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.694 11.074 3.855 1.00 0.00 C ATOM 0 H THR A 64 0.523 7.578 3.980 1.00 0.00 H new ATOM 0 HA THR A 64 -1.679 8.854 2.412 1.00 0.00 H new ATOM 0 HB THR A 64 0.053 10.051 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.732 9.213 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.801 11.670 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.151 11.648 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.681 10.817 3.471 1.00 0.00 H new ATOM 951 N PHE A 65 -0.215 10.307 1.058 1.00 0.00 N ATOM 952 CA PHE A 65 0.632 10.913 0.045 1.00 0.00 C ATOM 953 C PHE A 65 0.400 12.423 -0.032 1.00 0.00 C ATOM 954 O PHE A 65 -0.511 12.948 0.607 1.00 0.00 O ATOM 955 CB PHE A 65 0.249 10.281 -1.295 1.00 0.00 C ATOM 956 CG PHE A 65 0.548 8.783 -1.385 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.835 8.344 -1.360 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.473 7.891 -1.490 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.112 6.954 -1.443 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.196 6.501 -1.573 1.00 0.00 C ATOM 961 CZ PHE A 65 1.091 6.062 -1.548 1.00 0.00 C ATOM 0 H PHE A 65 -1.194 10.591 1.021 1.00 0.00 H new ATOM 0 HA PHE A 65 1.681 10.746 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.815 10.440 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.783 10.796 -2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.646 9.052 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.495 8.240 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.134 6.605 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.007 5.793 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.302 5.005 -1.612 1.00 0.00 H new ATOM 971 N ALA A 66 1.239 13.079 -0.820 1.00 0.00 N ATOM 972 CA ALA A 66 1.137 14.519 -0.989 1.00 0.00 C ATOM 973 C ALA A 66 0.086 14.829 -2.056 1.00 0.00 C ATOM 974 O ALA A 66 -0.662 15.798 -1.933 1.00 0.00 O ATOM 975 CB ALA A 66 2.512 15.091 -1.340 1.00 0.00 C ATOM 0 H ALA A 66 1.993 12.640 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 66 0.815 14.993 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.435 16.171 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.214 14.869 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.867 14.641 -2.267 1.00 0.00 H new ATOM 981 N ASP A 67 0.063 13.989 -3.081 1.00 0.00 N ATOM 982 CA ASP A 67 -0.884 14.162 -4.169 1.00 0.00 C ATOM 983 C ASP A 67 -1.927 13.045 -4.114 1.00 0.00 C ATOM 984 O ASP A 67 -1.600 11.899 -3.807 1.00 0.00 O ATOM 985 CB ASP A 67 -0.182 14.087 -5.527 1.00 0.00 C ATOM 986 CG ASP A 67 0.017 15.433 -6.226 1.00 0.00 C ATOM 987 OD1 ASP A 67 -0.210 16.462 -5.554 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.393 15.403 -7.418 1.00 0.00 O ATOM 0 H ASP A 67 0.685 13.187 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.351 15.141 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.792 13.618 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.760 13.436 -6.183 1.00 0.00 H new ATOM 993 N SER A 68 -3.163 13.416 -4.416 1.00 0.00 N ATOM 994 CA SER A 68 -4.256 12.459 -4.405 1.00 0.00 C ATOM 995 C SER A 68 -4.238 11.629 -5.690 1.00 0.00 C ATOM 996 O SER A 68 -4.536 10.436 -5.666 1.00 0.00 O ATOM 997 CB SER A 68 -5.604 13.165 -4.248 1.00 0.00 C ATOM 998 OG SER A 68 -5.944 13.929 -5.402 1.00 0.00 O ATOM 0 H SER A 68 -3.431 14.367 -4.670 1.00 0.00 H new ATOM 0 HA SER A 68 -4.122 11.796 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.382 12.424 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.571 13.819 -3.377 1.00 0.00 H new ATOM 0 HG SER A 68 -6.812 14.363 -5.263 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.885 12.293 -6.781 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.824 11.631 -8.073 1.00 0.00 C ATOM 1006 C HIS A 69 -2.911 10.407 -7.980 1.00 0.00 C ATOM 1007 O HIS A 69 -3.322 9.295 -8.307 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.393 12.611 -9.165 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.956 14.002 -9.000 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.283 15.138 -9.414 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -5.136 14.428 -8.463 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -4.032 16.194 -9.133 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -5.179 15.752 -8.543 1.00 0.00 N ATOM 0 H HIS A 69 -3.638 13.283 -6.797 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.817 11.279 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.305 12.670 -9.177 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.702 12.218 -10.134 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.904 13.795 -8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.779 17.224 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.944 16.342 -8.217 1.00 0.00 H new ATOM 1021 N SER A 70 -1.689 10.653 -7.531 1.00 0.00 N ATOM 1022 CA SER A 70 -0.714 9.585 -7.391 1.00 0.00 C ATOM 1023 C SER A 70 -1.379 8.345 -6.789 1.00 0.00 C ATOM 1024 O SER A 70 -1.221 7.240 -7.306 1.00 0.00 O ATOM 1025 CB SER A 70 0.467 10.027 -6.524 1.00 0.00 C ATOM 1026 OG SER A 70 1.071 11.222 -7.014 1.00 0.00 O ATOM 0 H SER A 70 -1.352 11.577 -7.259 1.00 0.00 H new ATOM 0 HA SER A 70 -0.331 9.340 -8.382 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.126 10.186 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.211 9.231 -6.492 1.00 0.00 H new ATOM 0 HG SER A 70 2.027 11.067 -7.165 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.108 8.571 -5.707 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.797 7.486 -5.029 1.00 0.00 C ATOM 1034 C ALA A 71 -3.646 6.715 -6.043 1.00 0.00 C ATOM 1035 O ALA A 71 -3.462 5.513 -6.226 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.633 8.051 -3.879 1.00 0.00 C ATOM 0 H ALA A 71 -2.237 9.489 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.081 6.786 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.150 7.237 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.980 8.564 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.365 8.755 -4.273 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.558 7.440 -6.675 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.436 6.839 -7.665 1.00 0.00 C ATOM 1044 C LEU A 72 -4.600 6.024 -8.653 1.00 0.00 C ATOM 1045 O LEU A 72 -5.017 4.950 -9.086 1.00 0.00 O ATOM 1046 CB LEU A 72 -6.304 7.909 -8.330 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.785 7.563 -8.496 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -8.436 8.436 -9.571 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -7.971 6.071 -8.779 1.00 0.00 C ATOM 0 H LEU A 72 -4.708 8.437 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.131 6.148 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.229 8.825 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.889 8.125 -9.315 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.293 7.778 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.488 8.169 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.352 9.485 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.932 8.276 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.033 5.852 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.446 5.806 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.568 5.490 -7.950 1.00 0.00 H new ATOM 1061 N SER A 73 -3.436 6.564 -8.982 1.00 0.00 N ATOM 1062 CA SER A 73 -2.538 5.900 -9.911 1.00 0.00 C ATOM 1063 C SER A 73 -2.091 4.555 -9.336 1.00 0.00 C ATOM 1064 O SER A 73 -1.767 3.633 -10.083 1.00 0.00 O ATOM 1065 CB SER A 73 -1.322 6.775 -10.223 1.00 0.00 C ATOM 1066 OG SER A 73 -1.287 7.174 -11.590 1.00 0.00 O ATOM 0 H SER A 73 -3.094 7.455 -8.621 1.00 0.00 H new ATOM 0 HA SER A 73 -3.076 5.728 -10.843 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.340 7.660 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.411 6.228 -9.982 1.00 0.00 H new ATOM 0 HG SER A 73 -0.497 7.732 -11.748 1.00 0.00 H new ATOM 1072 N VAL A 74 -2.087 4.485 -8.013 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.684 3.268 -7.329 1.00 0.00 C ATOM 1074 C VAL A 74 -2.902 2.358 -7.158 1.00 0.00 C ATOM 1075 O VAL A 74 -2.764 1.138 -7.083 1.00 0.00 O ATOM 1076 CB VAL A 74 -1.005 3.614 -6.002 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.769 2.356 -5.163 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.303 4.370 -6.236 1.00 0.00 C ATOM 0 H VAL A 74 -2.356 5.252 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.950 2.722 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.674 4.269 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.285 2.630 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.724 1.875 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.129 1.666 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.765 4.604 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.981 3.751 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.097 5.295 -6.774 1.00 0.00 H new ATOM 1088 N LEU A 75 -4.067 2.986 -7.101 1.00 0.00 N ATOM 1089 CA LEU A 75 -5.309 2.248 -6.940 1.00 0.00 C ATOM 1090 C LEU A 75 -5.426 1.207 -8.056 1.00 0.00 C ATOM 1091 O LEU A 75 -5.873 0.086 -7.819 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.497 3.208 -6.868 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.920 3.648 -5.464 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -5.887 4.597 -4.853 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -8.322 4.260 -5.480 1.00 0.00 C ATOM 0 H LEU A 75 -4.178 3.998 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.310 1.705 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.255 4.098 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.351 2.734 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.962 2.764 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.211 4.895 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.924 4.092 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.789 5.482 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.598 4.564 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.332 5.130 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.037 3.522 -5.845 1.00 0.00 H new ATOM 1107 N ASP A 76 -5.018 1.616 -9.248 1.00 0.00 N ATOM 1108 CA ASP A 76 -5.072 0.733 -10.401 1.00 0.00 C ATOM 1109 C ASP A 76 -3.812 -0.135 -10.432 1.00 0.00 C ATOM 1110 O ASP A 76 -3.818 -1.223 -11.007 1.00 0.00 O ATOM 1111 CB ASP A 76 -5.127 1.532 -11.704 1.00 0.00 C ATOM 1112 CG ASP A 76 -6.527 1.706 -12.297 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -7.485 1.719 -11.494 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.607 1.822 -13.539 1.00 0.00 O ATOM 0 H ASP A 76 -4.649 2.547 -9.441 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.969 0.120 -10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.699 2.519 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.495 1.039 -12.442 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.763 0.377 -9.806 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.499 -0.338 -9.755 1.00 0.00 C ATOM 1121 C VAL A 77 -1.573 -1.418 -8.673 1.00 0.00 C ATOM 1122 O VAL A 77 -0.676 -2.252 -8.562 1.00 0.00 O ATOM 1123 CB VAL A 77 -0.349 0.647 -9.538 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.171 0.577 -8.101 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.780 0.402 -10.542 1.00 0.00 C ATOM 0 H VAL A 77 -2.762 1.279 -9.330 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.305 -0.839 -10.703 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.735 1.653 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.988 1.287 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.635 0.824 -7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.531 -0.431 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.585 1.116 -10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.161 -0.612 -10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.399 0.528 -11.556 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.650 -1.367 -7.903 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.852 -2.330 -6.835 1.00 0.00 C ATOM 1137 C ASP A 78 -2.361 -3.705 -7.293 1.00 0.00 C ATOM 1138 O ASP A 78 -1.689 -4.410 -6.542 1.00 0.00 O ATOM 1139 CB ASP A 78 -4.335 -2.453 -6.477 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.889 -1.314 -5.619 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.222 -0.258 -5.578 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.968 -1.525 -5.025 1.00 0.00 O ATOM 0 H ASP A 78 -3.392 -0.673 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.297 -1.986 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.913 -2.507 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.489 -3.394 -5.949 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.715 -4.044 -8.524 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.318 -5.321 -9.092 1.00 0.00 C ATOM 1149 C GLY A 79 -0.898 -5.695 -8.663 1.00 0.00 C ATOM 1150 O GLY A 79 -0.570 -6.875 -8.550 1.00 0.00 O ATOM 0 H GLY A 79 -3.272 -3.456 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.014 -6.097 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.372 -5.272 -10.180 1.00 0.00 H new ATOM 1154 N MET A 80 -0.093 -4.667 -8.437 1.00 0.00 N ATOM 1155 CA MET A 80 1.285 -4.872 -8.024 1.00 0.00 C ATOM 1156 C MET A 80 1.386 -5.998 -6.993 1.00 0.00 C ATOM 1157 O MET A 80 0.482 -6.182 -6.179 1.00 0.00 O ATOM 1158 CB MET A 80 1.836 -3.578 -7.422 1.00 0.00 C ATOM 1159 CG MET A 80 3.248 -3.786 -6.873 1.00 0.00 C ATOM 1160 SD MET A 80 4.274 -2.382 -7.277 1.00 0.00 S ATOM 1161 CE MET A 80 3.441 -1.111 -6.341 1.00 0.00 C ATOM 0 H MET A 80 -0.369 -3.690 -8.532 1.00 0.00 H new ATOM 0 HA MET A 80 1.869 -5.153 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.849 -2.796 -8.181 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.178 -3.236 -6.623 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.210 -3.920 -5.792 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.680 -4.695 -7.292 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.853 -0.137 -6.604 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.376 -1.129 -6.571 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.585 -1.290 -5.276 1.00 0.00 H new ATOM 1171 N LYS A 81 2.493 -6.722 -7.061 1.00 0.00 N ATOM 1172 CA LYS A 81 2.724 -7.825 -6.144 1.00 0.00 C ATOM 1173 C LYS A 81 4.098 -7.660 -5.491 1.00 0.00 C ATOM 1174 O LYS A 81 5.014 -7.103 -6.095 1.00 0.00 O ATOM 1175 CB LYS A 81 2.540 -9.165 -6.860 1.00 0.00 C ATOM 1176 CG LYS A 81 1.058 -9.465 -7.088 1.00 0.00 C ATOM 1177 CD LYS A 81 0.773 -9.731 -8.568 1.00 0.00 C ATOM 1178 CE LYS A 81 -0.660 -10.227 -8.770 1.00 0.00 C ATOM 1179 NZ LYS A 81 -0.968 -10.346 -10.213 1.00 0.00 N ATOM 0 H LYS A 81 3.240 -6.566 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 81 1.986 -7.815 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.062 -9.145 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.989 -9.962 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.764 -10.332 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.456 -8.624 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.930 -8.818 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.475 -10.472 -8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.789 -11.194 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.360 -9.537 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.944 -10.684 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.865 -9.416 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.311 -11.022 -10.654 1.00 0.00 H new ATOM 1193 N VAL A 82 4.199 -8.155 -4.266 1.00 0.00 N ATOM 1194 CA VAL A 82 5.445 -8.070 -3.525 1.00 0.00 C ATOM 1195 C VAL A 82 5.834 -9.463 -3.027 1.00 0.00 C ATOM 1196 O VAL A 82 5.112 -10.067 -2.235 1.00 0.00 O ATOM 1197 CB VAL A 82 5.313 -7.047 -2.395 1.00 0.00 C ATOM 1198 CG1 VAL A 82 6.566 -7.035 -1.516 1.00 0.00 C ATOM 1199 CG2 VAL A 82 5.020 -5.651 -2.950 1.00 0.00 C ATOM 0 H VAL A 82 3.438 -8.616 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 82 6.250 -7.719 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 82 4.469 -7.344 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.446 -6.299 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.712 -8.022 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.433 -6.775 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.931 -4.943 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.833 -5.343 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.087 -5.672 -3.513 1.00 0.00 H new ATOM 1209 N LYS A 83 6.974 -9.933 -3.511 1.00 0.00 N ATOM 1210 CA LYS A 83 7.467 -11.244 -3.125 1.00 0.00 C ATOM 1211 C LYS A 83 6.443 -12.308 -3.525 1.00 0.00 C ATOM 1212 O LYS A 83 6.401 -13.387 -2.937 1.00 0.00 O ATOM 1213 CB LYS A 83 7.827 -11.265 -1.638 1.00 0.00 C ATOM 1214 CG LYS A 83 9.334 -11.097 -1.436 1.00 0.00 C ATOM 1215 CD LYS A 83 9.629 -10.175 -0.251 1.00 0.00 C ATOM 1216 CE LYS A 83 10.578 -9.046 -0.658 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.634 -8.863 0.362 1.00 0.00 N ATOM 0 H LYS A 83 7.571 -9.429 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 83 8.391 -11.475 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.296 -10.466 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.500 -12.205 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.793 -12.071 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.782 -10.687 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.698 -9.753 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.071 -10.751 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.032 -9.274 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.018 -8.119 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.269 -8.093 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.197 -8.624 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.179 -9.743 0.459 1.00 0.00 H new ATOM 1231 N GLY A 84 5.641 -11.966 -4.522 1.00 0.00 N ATOM 1232 CA GLY A 84 4.619 -12.878 -5.008 1.00 0.00 C ATOM 1233 C GLY A 84 3.284 -12.631 -4.302 1.00 0.00 C ATOM 1234 O GLY A 84 2.244 -13.116 -4.746 1.00 0.00 O ATOM 0 H GLY A 84 5.678 -11.069 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.495 -12.751 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.937 -13.908 -4.843 1.00 0.00 H new ATOM 1238 N ARG A 85 3.356 -11.877 -3.215 1.00 0.00 N ATOM 1239 CA ARG A 85 2.166 -11.560 -2.444 1.00 0.00 C ATOM 1240 C ARG A 85 1.427 -10.375 -3.070 1.00 0.00 C ATOM 1241 O ARG A 85 1.961 -9.269 -3.132 1.00 0.00 O ATOM 1242 CB ARG A 85 2.523 -11.221 -0.995 1.00 0.00 C ATOM 1243 CG ARG A 85 2.067 -12.330 -0.045 1.00 0.00 C ATOM 1244 CD ARG A 85 2.896 -13.600 -0.246 1.00 0.00 C ATOM 1245 NE ARG A 85 2.032 -14.696 -0.738 1.00 0.00 N ATOM 1246 CZ ARG A 85 1.235 -15.434 0.046 1.00 0.00 C ATOM 1247 NH1 ARG A 85 1.188 -15.198 1.365 1.00 0.00 N ATOM 1248 NH2 ARG A 85 0.486 -16.408 -0.487 1.00 0.00 N ATOM 0 H ARG A 85 4.220 -11.476 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 85 1.522 -12.439 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.600 -11.080 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.054 -10.279 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.159 -11.991 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.013 -12.549 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.699 -13.411 -0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.366 -13.890 0.694 1.00 0.00 H new ATOM 0 HE ARG A 85 2.044 -14.902 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.759 -14.457 1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.581 -15.760 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.522 -16.588 -1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.121 -16.970 0.110 1.00 0.00 H new ATOM 1262 N ALA A 86 0.211 -10.648 -3.519 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.606 -9.618 -4.139 1.00 0.00 C ATOM 1264 C ALA A 86 -1.095 -8.646 -3.064 1.00 0.00 C ATOM 1265 O ALA A 86 -1.788 -9.045 -2.129 1.00 0.00 O ATOM 1266 CB ALA A 86 -1.760 -10.272 -4.901 1.00 0.00 C ATOM 0 H ALA A 86 -0.228 -11.567 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.021 -9.046 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.373 -9.500 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.360 -10.931 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.371 -10.852 -4.209 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.714 -7.388 -3.232 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.105 -6.355 -2.288 1.00 0.00 C ATOM 1274 C VAL A 87 -2.318 -5.601 -2.837 1.00 0.00 C ATOM 1275 O VAL A 87 -2.439 -5.408 -4.045 1.00 0.00 O ATOM 1276 CB VAL A 87 0.084 -5.439 -1.993 1.00 0.00 C ATOM 1277 CG1 VAL A 87 1.182 -6.192 -1.238 1.00 0.00 C ATOM 1278 CG2 VAL A 87 0.631 -4.817 -3.279 1.00 0.00 C ATOM 0 H VAL A 87 -0.139 -7.061 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.401 -6.799 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.268 -4.629 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.016 -5.518 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.785 -6.564 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.529 -7.031 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.475 -4.171 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.959 -5.607 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.151 -4.229 -3.760 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.186 -5.195 -1.921 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.385 -4.467 -2.298 1.00 0.00 C ATOM 1290 C LYS A 88 -4.366 -3.086 -1.640 1.00 0.00 C ATOM 1291 O LYS A 88 -4.309 -2.978 -0.416 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.635 -5.287 -1.971 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.699 -5.123 -3.059 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.425 -6.445 -3.318 1.00 0.00 C ATOM 1295 CE LYS A 88 -8.545 -6.262 -4.345 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.853 -6.624 -3.754 1.00 0.00 N ATOM 0 H LYS A 88 -3.082 -5.357 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.410 -4.307 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.369 -6.339 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.041 -4.971 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.418 -4.362 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.232 -4.774 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.715 -7.190 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.841 -6.825 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.568 -5.227 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.350 -6.883 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.602 -6.494 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.833 -7.618 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.044 -6.014 -2.933 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.415 -2.064 -2.482 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.404 -0.694 -1.997 1.00 0.00 C ATOM 1312 C ILE A 89 -5.727 -0.018 -2.360 1.00 0.00 C ATOM 1313 O ILE A 89 -5.953 0.332 -3.518 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.171 0.049 -2.517 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -1.889 -0.717 -2.185 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.134 1.485 -1.991 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.022 -0.902 -3.433 1.00 0.00 C ATOM 0 H ILE A 89 -4.462 -2.157 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.324 -0.676 -0.910 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.239 0.106 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.326 -0.178 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.141 -1.691 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.248 1.991 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.027 2.016 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.101 1.473 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.117 -1.449 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.579 -1.462 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.751 0.074 -3.836 1.00 0.00 H new ATOM 1329 N SER A 90 -6.569 0.145 -1.350 1.00 0.00 N ATOM 1330 CA SER A 90 -7.864 0.772 -1.548 1.00 0.00 C ATOM 1331 C SER A 90 -7.869 2.171 -0.928 1.00 0.00 C ATOM 1332 O SER A 90 -6.873 2.599 -0.346 1.00 0.00 O ATOM 1333 CB SER A 90 -8.986 -0.078 -0.948 1.00 0.00 C ATOM 1334 OG SER A 90 -8.890 -1.444 -1.343 1.00 0.00 O ATOM 0 H SER A 90 -6.379 -0.147 -0.391 1.00 0.00 H new ATOM 0 HA SER A 90 -8.042 0.856 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.949 -0.012 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.951 0.323 -1.260 1.00 0.00 H new ATOM 0 HG SER A 90 -9.623 -1.954 -0.938 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.000 2.845 -1.074 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.147 4.186 -0.536 1.00 0.00 C ATOM 1342 C GLY A 91 -10.455 4.323 0.246 1.00 0.00 C ATOM 1343 O GLY A 91 -11.526 4.447 -0.345 1.00 0.00 O ATOM 0 H GLY A 91 -9.824 2.487 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.304 4.415 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.127 4.912 -1.349 1.00 0.00 H new ATOM 1347 N PRO A 92 -10.321 4.295 1.599 1.00 0.00 N ATOM 1348 CA PRO A 92 -11.479 4.414 2.468 1.00 0.00 C ATOM 1349 C PRO A 92 -11.984 5.857 2.514 1.00 0.00 C ATOM 1350 O PRO A 92 -13.133 6.128 2.167 1.00 0.00 O ATOM 1351 CB PRO A 92 -11.009 3.906 3.822 1.00 0.00 C ATOM 1352 CG PRO A 92 -9.490 3.958 3.782 1.00 0.00 C ATOM 1353 CD PRO A 92 -9.068 4.149 2.335 1.00 0.00 C ATOM 0 HA PRO A 92 -12.332 3.835 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.400 4.526 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.360 2.890 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.120 4.777 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.066 3.038 4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.436 5.030 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.494 3.296 1.974 1.00 0.00 H new ATOM 1361 N SER A 93 -11.101 6.746 2.945 1.00 0.00 N ATOM 1362 CA SER A 93 -11.443 8.155 3.041 1.00 0.00 C ATOM 1363 C SER A 93 -10.228 8.957 3.513 1.00 0.00 C ATOM 1364 O SER A 93 -9.126 8.420 3.614 1.00 0.00 O ATOM 1365 CB SER A 93 -12.624 8.372 3.989 1.00 0.00 C ATOM 1366 OG SER A 93 -12.270 8.125 5.347 1.00 0.00 O ATOM 0 H SER A 93 -10.149 6.518 3.232 1.00 0.00 H new ATOM 0 HA SER A 93 -11.738 8.504 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.986 9.395 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.445 7.714 3.703 1.00 0.00 H new ATOM 0 HG SER A 93 -13.050 8.276 5.921 1.00 0.00 H new ATOM 1372 N SER A 94 -10.471 10.230 3.790 1.00 0.00 N ATOM 1373 CA SER A 94 -9.411 11.111 4.250 1.00 0.00 C ATOM 1374 C SER A 94 -8.695 10.487 5.449 1.00 0.00 C ATOM 1375 O SER A 94 -7.471 10.364 5.451 1.00 0.00 O ATOM 1376 CB SER A 94 -9.963 12.490 4.619 1.00 0.00 C ATOM 1377 OG SER A 94 -11.082 12.400 5.496 1.00 0.00 O ATOM 0 H SER A 94 -11.386 10.672 3.705 1.00 0.00 H new ATOM 0 HA SER A 94 -8.697 11.241 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.178 13.080 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.255 13.018 3.711 1.00 0.00 H new ATOM 0 HG SER A 94 -11.404 13.301 5.709 1.00 0.00 H new ATOM 1383 N GLY A 95 -9.489 10.110 6.441 1.00 0.00 N ATOM 1384 CA GLY A 95 -8.946 9.502 7.644 1.00 0.00 C ATOM 1385 C GLY A 95 -9.161 10.406 8.860 1.00 0.00 C ATOM 1386 O GLY A 95 -9.105 11.629 8.746 1.00 0.00 O ATOM 0 H GLY A 95 -10.504 10.214 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.423 8.537 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.881 9.312 7.511 1.00 0.00 H new TER 1390 GLY A 95