USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 504 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 39 GLN : amide:sc= -7.7! C(o=-18!,f=-18!) USER MOD Set 1.2: A 49 HIS : no HE2:sc= -10! C(o=-18!,f=-18!) USER MOD Set 2.1: A 12 CYS SG : rot 30:sc= -7.15! USER MOD Set 2.2: A 16 GLN : amide:sc= -6.79! C(o=-14!,f=-19!) USER MOD Set 2.3: A 24 GLN : amide:sc= -0.427 K(o=-14,f=-15) USER MOD Single : A 1 MET CE :methyl 163:sc= -7.56! (180deg=-8.19!) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.015 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0961 K(o=-0.096,f=-2.5!) USER MOD Single : A 8 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.0059) USER MOD Single : A 10 MET CE :methyl -144:sc= -4.52! (180deg=-6.99!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 125:sc= 0.703 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.1!) USER MOD Single : A 29 GLN :FLIP amide:sc= 1.65 F(o=-0.8,f=1.7) USER MOD Single : A 37 ASN : amide:sc= -5.04! C(o=-5!,f=-5.9!) USER MOD Single : A 38 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.93) USER MOD Single : A 45 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.7!) USER MOD Single : A 48 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.3!) USER MOD Single : A 52 GLN : amide:sc= -0.12 K(o=-0.12,f=-1) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 61 GLN : amide:sc= -0.0314 K(o=-0.031,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.736 0.624 2.279 1.00 0.00 N ATOM 2 CA MET A 1 13.562 1.009 1.442 1.00 0.00 C ATOM 3 C MET A 1 12.883 2.241 2.005 1.00 0.00 C ATOM 4 O MET A 1 13.002 2.554 3.171 1.00 0.00 O ATOM 5 CB MET A 1 12.583 -0.148 1.541 1.00 0.00 C ATOM 6 CG MET A 1 11.681 -0.124 0.329 1.00 0.00 C ATOM 7 SD MET A 1 10.073 -0.839 0.710 1.00 0.00 S ATOM 8 CE MET A 1 9.398 -0.569 -0.942 1.00 0.00 C ATOM 0 H1 MET A 1 15.554 0.435 1.664 1.00 0.00 H new ATOM 0 H2 MET A 1 14.966 1.400 2.932 1.00 0.00 H new ATOM 0 H3 MET A 1 14.508 -0.232 2.824 1.00 0.00 H new ATOM 0 HA MET A 1 13.876 1.221 0.420 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.121 -1.095 1.593 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.992 -0.066 2.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.555 0.903 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.146 -0.678 -0.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.511 -1.188 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.129 0.481 -1.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.146 -0.836 -1.689 1.00 0.00 H new ATOM 20 N GLN A 2 12.130 2.910 1.190 1.00 0.00 N ATOM 21 CA GLN A 2 11.378 4.087 1.670 1.00 0.00 C ATOM 22 C GLN A 2 10.133 4.234 0.857 1.00 0.00 C ATOM 23 O GLN A 2 10.059 3.845 -0.294 1.00 0.00 O ATOM 24 CB GLN A 2 12.275 5.287 1.490 1.00 0.00 C ATOM 25 CG GLN A 2 11.474 6.564 1.768 1.00 0.00 C ATOM 26 CD GLN A 2 12.108 7.741 1.024 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.276 8.030 1.200 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.382 8.438 0.190 1.00 0.00 N ATOM 0 H GLN A 2 12.003 2.689 0.202 1.00 0.00 H new ATOM 0 HA GLN A 2 11.092 3.985 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.127 5.224 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.675 5.308 0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.440 6.433 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.454 6.766 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.402 8.196 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.795 9.224 -0.313 1.00 0.00 H new ATOM 37 N ILE A 3 9.123 4.726 1.471 1.00 0.00 N ATOM 38 CA ILE A 3 7.858 4.826 0.772 1.00 0.00 C ATOM 39 C ILE A 3 7.080 6.039 1.242 1.00 0.00 C ATOM 40 O ILE A 3 7.454 6.718 2.177 1.00 0.00 O ATOM 41 CB ILE A 3 7.140 3.535 1.167 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.269 3.774 2.414 1.00 0.00 C ATOM 43 CG2 ILE A 3 8.177 2.440 1.483 1.00 0.00 C ATOM 44 CD1 ILE A 3 6.234 2.520 3.295 1.00 0.00 C ATOM 0 H ILE A 3 9.125 5.064 2.433 1.00 0.00 H new ATOM 0 HA ILE A 3 7.970 4.942 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 3 6.508 3.218 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.664 4.615 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.256 4.041 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.662 1.521 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.792 2.256 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.812 2.767 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.614 2.708 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.817 1.688 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.246 2.271 3.614 1.00 0.00 H new ATOM 56 N LEU A 4 5.966 6.265 0.644 1.00 0.00 N ATOM 57 CA LEU A 4 5.121 7.368 1.095 1.00 0.00 C ATOM 58 C LEU A 4 3.738 6.812 1.355 1.00 0.00 C ATOM 59 O LEU A 4 3.006 6.489 0.445 1.00 0.00 O ATOM 60 CB LEU A 4 5.091 8.360 -0.055 1.00 0.00 C ATOM 61 CG LEU A 4 4.274 9.580 0.370 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.797 9.214 0.317 1.00 0.00 C ATOM 63 CD2 LEU A 4 4.660 9.975 1.794 1.00 0.00 C ATOM 0 H LEU A 4 5.603 5.728 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 4 5.483 7.846 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.105 8.659 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.650 7.900 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 4 4.471 10.419 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.198 10.074 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.530 8.923 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.604 8.382 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.079 10.845 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.455 9.145 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.722 10.217 1.829 1.00 0.00 H new ATOM 75 N PHE A 5 3.369 6.699 2.584 1.00 0.00 N ATOM 76 CA PHE A 5 2.027 6.165 2.883 1.00 0.00 C ATOM 77 C PHE A 5 1.136 7.332 3.319 1.00 0.00 C ATOM 78 O PHE A 5 1.240 7.823 4.422 1.00 0.00 O ATOM 79 CB PHE A 5 2.261 5.161 4.016 1.00 0.00 C ATOM 80 CG PHE A 5 0.953 4.542 4.444 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.276 3.673 3.581 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.425 4.830 5.707 1.00 0.00 C ATOM 83 CE1 PHE A 5 -0.933 3.092 3.982 1.00 0.00 C ATOM 84 CE2 PHE A 5 -0.783 4.247 6.109 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.462 3.379 5.246 1.00 0.00 C ATOM 0 H PHE A 5 3.934 6.952 3.395 1.00 0.00 H new ATOM 0 HA PHE A 5 1.533 5.684 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.949 4.383 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.729 5.661 4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.686 3.451 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.949 5.501 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.457 2.423 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.191 4.467 7.085 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.394 2.930 5.555 1.00 0.00 H new ATOM 95 N ASN A 6 0.283 7.799 2.450 1.00 0.00 N ATOM 96 CA ASN A 6 -0.588 8.955 2.806 1.00 0.00 C ATOM 97 C ASN A 6 0.268 10.180 3.097 1.00 0.00 C ATOM 98 O ASN A 6 0.219 10.772 4.157 1.00 0.00 O ATOM 99 CB ASN A 6 -1.386 8.522 4.035 1.00 0.00 C ATOM 100 CG ASN A 6 -2.630 9.404 4.174 1.00 0.00 C ATOM 101 OD1 ASN A 6 -2.971 10.142 3.271 1.00 0.00 O ATOM 102 ND2 ASN A 6 -3.328 9.358 5.277 1.00 0.00 N ATOM 0 H ASN A 6 0.151 7.430 1.508 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.260 9.229 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.678 7.476 3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.768 8.603 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.158 9.941 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.043 8.739 6.036 1.00 0.00 H new ATOM 109 N ASP A 7 1.053 10.540 2.136 1.00 0.00 N ATOM 110 CA ASP A 7 1.959 11.716 2.265 1.00 0.00 C ATOM 111 C ASP A 7 2.849 11.527 3.487 1.00 0.00 C ATOM 112 O ASP A 7 3.439 12.462 3.994 1.00 0.00 O ATOM 113 CB ASP A 7 1.091 12.963 2.423 1.00 0.00 C ATOM 114 CG ASP A 7 -0.364 12.685 2.024 1.00 0.00 C ATOM 115 OD1 ASP A 7 -0.625 12.592 0.837 1.00 0.00 O ATOM 116 OD2 ASP A 7 -1.189 12.570 2.915 1.00 0.00 O ATOM 0 H ASP A 7 1.112 10.059 1.238 1.00 0.00 H new ATOM 0 HA ASP A 7 2.595 11.820 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.127 13.305 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.492 13.768 1.807 1.00 0.00 H new ATOM 121 N GLN A 8 2.968 10.316 3.945 1.00 0.00 N ATOM 122 CA GLN A 8 3.840 10.048 5.117 1.00 0.00 C ATOM 123 C GLN A 8 5.024 9.213 4.652 1.00 0.00 C ATOM 124 O GLN A 8 4.870 8.111 4.176 1.00 0.00 O ATOM 125 CB GLN A 8 2.965 9.260 6.084 1.00 0.00 C ATOM 126 CG GLN A 8 1.620 9.976 6.221 1.00 0.00 C ATOM 127 CD GLN A 8 1.270 10.155 7.698 1.00 0.00 C ATOM 128 OE1 GLN A 8 0.860 11.221 8.111 1.00 0.00 O ATOM 129 NE2 GLN A 8 1.407 9.149 8.515 1.00 0.00 N ATOM 0 H GLN A 8 2.498 9.498 3.557 1.00 0.00 H new ATOM 0 HA GLN A 8 4.231 10.951 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.817 8.244 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.452 9.181 7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.664 10.948 5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.840 9.401 5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.751 8.254 8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.170 9.257 9.501 1.00 0.00 H new ATOM 138 N ALA A 9 6.203 9.730 4.764 1.00 0.00 N ATOM 139 CA ALA A 9 7.381 8.955 4.293 1.00 0.00 C ATOM 140 C ALA A 9 7.658 7.767 5.216 1.00 0.00 C ATOM 141 O ALA A 9 7.366 7.793 6.396 1.00 0.00 O ATOM 142 CB ALA A 9 8.544 9.942 4.297 1.00 0.00 C ATOM 0 H ALA A 9 6.408 10.648 5.157 1.00 0.00 H new ATOM 0 HA ALA A 9 7.219 8.534 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.450 9.438 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.319 10.772 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.695 10.322 5.307 1.00 0.00 H new ATOM 148 N MET A 10 8.199 6.716 4.667 1.00 0.00 N ATOM 149 CA MET A 10 8.481 5.492 5.483 1.00 0.00 C ATOM 150 C MET A 10 9.736 4.782 5.014 1.00 0.00 C ATOM 151 O MET A 10 10.361 5.161 4.050 1.00 0.00 O ATOM 152 CB MET A 10 7.339 4.546 5.163 1.00 0.00 C ATOM 153 CG MET A 10 6.903 3.779 6.402 1.00 0.00 C ATOM 154 SD MET A 10 5.787 4.806 7.386 1.00 0.00 S ATOM 155 CE MET A 10 4.276 4.450 6.456 1.00 0.00 C ATOM 0 H MET A 10 8.461 6.647 3.684 1.00 0.00 H new ATOM 0 HA MET A 10 8.593 5.763 6.533 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.496 5.110 4.765 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.649 3.845 4.388 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.403 2.854 6.113 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.774 3.499 6.995 1.00 0.00 H new ATOM 0 HE1 MET A 10 3.654 5.344 6.416 1.00 0.00 H new ATOM 0 HE2 MET A 10 4.536 4.143 5.443 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.726 3.648 6.948 1.00 0.00 H new ATOM 165 N GLN A 11 10.030 3.688 5.657 1.00 0.00 N ATOM 166 CA GLN A 11 11.156 2.826 5.234 1.00 0.00 C ATOM 167 C GLN A 11 10.836 1.404 5.651 1.00 0.00 C ATOM 168 O GLN A 11 10.602 1.111 6.806 1.00 0.00 O ATOM 169 CB GLN A 11 12.443 3.287 5.899 1.00 0.00 C ATOM 170 CG GLN A 11 12.212 4.531 6.757 1.00 0.00 C ATOM 171 CD GLN A 11 13.415 4.742 7.680 1.00 0.00 C ATOM 172 OE1 GLN A 11 14.515 4.976 7.220 1.00 0.00 O ATOM 173 NE2 GLN A 11 13.253 4.667 8.973 1.00 0.00 N ATOM 0 H GLN A 11 9.523 3.352 6.476 1.00 0.00 H new ATOM 0 HA GLN A 11 11.292 2.882 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.842 2.484 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.191 3.503 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.070 5.404 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.303 4.416 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.330 4.471 9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.049 4.805 9.596 1.00 0.00 H new ATOM 182 N CYS A 12 10.793 0.536 4.707 1.00 0.00 N ATOM 183 CA CYS A 12 10.448 -0.885 5.004 1.00 0.00 C ATOM 184 C CYS A 12 11.112 -1.837 4.015 1.00 0.00 C ATOM 185 O CYS A 12 12.232 -1.638 3.597 1.00 0.00 O ATOM 186 CB CYS A 12 8.925 -0.917 4.903 1.00 0.00 C ATOM 187 SG CYS A 12 8.423 -0.236 3.309 1.00 0.00 S ATOM 0 H CYS A 12 10.982 0.738 3.725 1.00 0.00 H new ATOM 0 HA CYS A 12 10.802 -1.213 5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.563 -1.940 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.482 -0.340 5.715 1.00 0.00 H new ATOM 0 HG CYS A 12 9.354 -0.459 2.429 1.00 0.00 H new ATOM 193 N ALA A 13 10.461 -2.908 3.700 1.00 0.00 N ATOM 194 CA ALA A 13 11.076 -3.909 2.799 1.00 0.00 C ATOM 195 C ALA A 13 10.826 -3.630 1.321 1.00 0.00 C ATOM 196 O ALA A 13 9.725 -3.743 0.826 1.00 0.00 O ATOM 197 CB ALA A 13 10.439 -5.237 3.200 1.00 0.00 C ATOM 0 H ALA A 13 9.523 -3.137 4.029 1.00 0.00 H new ATOM 0 HA ALA A 13 12.161 -3.897 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.842 -6.036 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.661 -5.445 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.359 -5.179 3.062 1.00 0.00 H new ATOM 203 N ALA A 14 11.868 -3.301 0.612 1.00 0.00 N ATOM 204 CA ALA A 14 11.738 -3.056 -0.852 1.00 0.00 C ATOM 205 C ALA A 14 11.371 -4.356 -1.568 1.00 0.00 C ATOM 206 O ALA A 14 11.806 -5.428 -1.196 1.00 0.00 O ATOM 207 CB ALA A 14 13.115 -2.591 -1.311 1.00 0.00 C ATOM 0 H ALA A 14 12.811 -3.190 0.985 1.00 0.00 H new ATOM 0 HA ALA A 14 10.962 -2.323 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.093 -2.392 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.388 -1.680 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 14 13.850 -3.368 -1.101 1.00 0.00 H new ATOM 213 N GLY A 15 10.579 -4.265 -2.592 1.00 0.00 N ATOM 214 CA GLY A 15 10.181 -5.479 -3.344 1.00 0.00 C ATOM 215 C GLY A 15 9.063 -6.196 -2.590 1.00 0.00 C ATOM 216 O GLY A 15 8.604 -7.249 -2.985 1.00 0.00 O ATOM 0 H GLY A 15 10.186 -3.392 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.844 -5.207 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.037 -6.143 -3.465 1.00 0.00 H new ATOM 220 N GLN A 16 8.623 -5.626 -1.504 1.00 0.00 N ATOM 221 CA GLN A 16 7.536 -6.252 -0.710 1.00 0.00 C ATOM 222 C GLN A 16 6.176 -5.721 -1.190 1.00 0.00 C ATOM 223 O GLN A 16 5.962 -4.531 -1.239 1.00 0.00 O ATOM 224 CB GLN A 16 7.857 -5.831 0.731 1.00 0.00 C ATOM 225 CG GLN A 16 7.076 -4.576 1.137 1.00 0.00 C ATOM 226 CD GLN A 16 7.146 -4.413 2.655 1.00 0.00 C ATOM 227 OE1 GLN A 16 6.899 -5.349 3.389 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.473 -3.259 3.160 1.00 0.00 N ATOM 0 H GLN A 16 8.975 -4.744 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 16 7.477 -7.336 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.616 -6.647 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.926 -5.642 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.494 -3.698 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.038 -4.659 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.680 -2.473 2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.522 -3.141 4.172 1.00 0.00 H new ATOM 237 N THR A 17 5.262 -6.576 -1.569 1.00 0.00 N ATOM 238 CA THR A 17 3.946 -6.066 -2.058 1.00 0.00 C ATOM 239 C THR A 17 3.318 -5.081 -1.081 1.00 0.00 C ATOM 240 O THR A 17 3.927 -4.587 -0.154 1.00 0.00 O ATOM 241 CB THR A 17 2.977 -7.247 -2.134 1.00 0.00 C ATOM 242 OG1 THR A 17 2.441 -7.485 -0.840 1.00 0.00 O ATOM 243 CG2 THR A 17 3.656 -8.515 -2.612 1.00 0.00 C ATOM 0 H THR A 17 5.366 -7.591 -1.562 1.00 0.00 H new ATOM 0 HA THR A 17 4.118 -5.579 -3.018 1.00 0.00 H new ATOM 0 HB THR A 17 2.196 -6.990 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.462 -7.463 -0.882 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.928 -9.325 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.070 -8.353 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.458 -8.780 -1.924 1.00 0.00 H new ATOM 251 N VAL A 18 2.058 -4.862 -1.291 1.00 0.00 N ATOM 252 CA VAL A 18 1.245 -3.982 -0.413 1.00 0.00 C ATOM 253 C VAL A 18 0.903 -4.758 0.821 1.00 0.00 C ATOM 254 O VAL A 18 1.226 -4.386 1.929 1.00 0.00 O ATOM 255 CB VAL A 18 0.000 -3.802 -1.194 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.947 -2.887 -0.445 1.00 0.00 C ATOM 257 CG2 VAL A 18 0.364 -3.255 -2.560 1.00 0.00 C ATOM 0 H VAL A 18 1.536 -5.272 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 18 1.737 -3.050 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.514 -4.753 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.862 -2.758 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.189 -3.327 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.473 -1.917 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.542 -3.116 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.872 -2.298 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.024 -3.957 -3.069 1.00 0.00 H new ATOM 267 N HIS A 19 0.309 -5.911 0.617 1.00 0.00 N ATOM 268 CA HIS A 19 0.024 -6.785 1.764 1.00 0.00 C ATOM 269 C HIS A 19 1.329 -6.869 2.517 1.00 0.00 C ATOM 270 O HIS A 19 1.384 -7.030 3.721 1.00 0.00 O ATOM 271 CB HIS A 19 -0.308 -8.135 1.135 1.00 0.00 C ATOM 272 CG HIS A 19 -0.621 -9.131 2.221 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.893 -9.269 2.759 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.168 -10.034 2.889 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.829 -10.224 3.707 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.597 -10.722 3.827 1.00 0.00 N ATOM 0 H HIS A 19 0.017 -6.269 -0.292 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.778 -6.455 2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.159 -8.035 0.462 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.532 -8.486 0.536 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.223 -10.188 2.714 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.673 -10.547 4.298 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.283 -11.450 4.468 1.00 0.00 H new ATOM 284 N GLU A 20 2.393 -6.692 1.777 1.00 0.00 N ATOM 285 CA GLU A 20 3.734 -6.697 2.399 1.00 0.00 C ATOM 286 C GLU A 20 4.015 -5.310 2.963 1.00 0.00 C ATOM 287 O GLU A 20 4.523 -5.168 4.055 1.00 0.00 O ATOM 288 CB GLU A 20 4.704 -7.038 1.272 1.00 0.00 C ATOM 289 CG GLU A 20 4.660 -8.540 0.991 1.00 0.00 C ATOM 290 CD GLU A 20 6.085 -9.070 0.826 1.00 0.00 C ATOM 291 OE1 GLU A 20 6.803 -9.099 1.812 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.434 -9.437 -0.283 1.00 0.00 O ATOM 0 H GLU A 20 2.383 -6.545 0.768 1.00 0.00 H new ATOM 0 HA GLU A 20 3.824 -7.412 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.441 -6.482 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.716 -6.739 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.160 -9.059 1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.081 -8.735 0.088 1.00 0.00 H new ATOM 299 N LEU A 21 3.677 -4.277 2.232 1.00 0.00 N ATOM 300 CA LEU A 21 3.924 -2.904 2.754 1.00 0.00 C ATOM 301 C LEU A 21 2.973 -2.623 3.915 1.00 0.00 C ATOM 302 O LEU A 21 3.392 -2.387 5.026 1.00 0.00 O ATOM 303 CB LEU A 21 3.628 -1.980 1.572 1.00 0.00 C ATOM 304 CG LEU A 21 4.323 -0.631 1.765 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.651 0.141 2.896 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.794 -0.858 2.110 1.00 0.00 C ATOM 0 H LEU A 21 3.246 -4.326 1.309 1.00 0.00 H new ATOM 0 HA LEU A 21 4.938 -2.766 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.969 -2.443 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.552 -1.832 1.478 1.00 0.00 H new ATOM 0 HG LEU A 21 4.249 -0.056 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.151 1.101 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.603 0.309 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.719 -0.434 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.288 0.104 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.867 -1.438 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.278 -1.402 1.299 1.00 0.00 H new ATOM 318 N LEU A 22 1.694 -2.676 3.672 1.00 0.00 N ATOM 319 CA LEU A 22 0.716 -2.436 4.768 1.00 0.00 C ATOM 320 C LEU A 22 1.046 -3.300 5.975 1.00 0.00 C ATOM 321 O LEU A 22 1.236 -2.817 7.074 1.00 0.00 O ATOM 322 CB LEU A 22 -0.621 -2.876 4.180 1.00 0.00 C ATOM 323 CG LEU A 22 -1.198 -1.743 3.353 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.312 -2.277 2.453 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.763 -0.709 4.315 1.00 0.00 C ATOM 0 H LEU A 22 1.283 -2.876 2.760 1.00 0.00 H new ATOM 0 HA LEU A 22 0.718 -1.399 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.485 -3.762 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.311 -3.148 4.978 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.428 -1.297 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.724 -1.460 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.908 -3.040 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.100 -2.712 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.187 0.121 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.541 -1.167 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.966 -0.339 4.961 1.00 0.00 H new ATOM 337 N GLU A 23 1.117 -4.575 5.770 1.00 0.00 N ATOM 338 CA GLU A 23 1.437 -5.490 6.902 1.00 0.00 C ATOM 339 C GLU A 23 2.739 -5.060 7.573 1.00 0.00 C ATOM 340 O GLU A 23 2.857 -5.081 8.782 1.00 0.00 O ATOM 341 CB GLU A 23 1.603 -6.862 6.269 1.00 0.00 C ATOM 342 CG GLU A 23 1.911 -7.897 7.354 1.00 0.00 C ATOM 343 CD GLU A 23 0.743 -8.876 7.485 1.00 0.00 C ATOM 344 OE1 GLU A 23 -0.265 -8.658 6.831 1.00 0.00 O ATOM 345 OE2 GLU A 23 0.875 -9.827 8.239 1.00 0.00 O ATOM 0 H GLU A 23 0.968 -5.031 4.870 1.00 0.00 H new ATOM 0 HA GLU A 23 0.661 -5.483 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.694 -7.140 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.409 -6.839 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.824 -8.438 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.087 -7.397 8.307 1.00 0.00 H new ATOM 352 N GLN A 24 3.720 -4.662 6.806 1.00 0.00 N ATOM 353 CA GLN A 24 4.994 -4.230 7.433 1.00 0.00 C ATOM 354 C GLN A 24 4.735 -2.957 8.233 1.00 0.00 C ATOM 355 O GLN A 24 5.158 -2.823 9.363 1.00 0.00 O ATOM 356 CB GLN A 24 5.951 -3.966 6.275 1.00 0.00 C ATOM 357 CG GLN A 24 7.382 -3.916 6.805 1.00 0.00 C ATOM 358 CD GLN A 24 8.063 -5.256 6.520 1.00 0.00 C ATOM 359 OE1 GLN A 24 7.403 -6.265 6.367 1.00 0.00 O ATOM 360 NE2 GLN A 24 9.363 -5.310 6.440 1.00 0.00 N ATOM 0 H GLN A 24 3.692 -4.619 5.787 1.00 0.00 H new ATOM 0 HA GLN A 24 5.409 -4.973 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.856 -4.750 5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.699 -3.025 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.932 -3.105 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.380 -3.714 7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.917 -4.464 6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.826 -6.199 6.249 1.00 0.00 H new ATOM 369 N LEU A 25 3.999 -2.036 7.670 1.00 0.00 N ATOM 370 CA LEU A 25 3.673 -0.800 8.411 1.00 0.00 C ATOM 371 C LEU A 25 2.792 -1.189 9.601 1.00 0.00 C ATOM 372 O LEU A 25 2.679 -0.461 10.566 1.00 0.00 O ATOM 373 CB LEU A 25 2.905 0.059 7.409 1.00 0.00 C ATOM 374 CG LEU A 25 3.794 0.363 6.199 1.00 0.00 C ATOM 375 CD1 LEU A 25 3.120 1.414 5.317 1.00 0.00 C ATOM 376 CD2 LEU A 25 5.153 0.885 6.665 1.00 0.00 C ATOM 0 H LEU A 25 3.613 -2.093 6.728 1.00 0.00 H new ATOM 0 HA LEU A 25 4.541 -0.265 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.002 -0.460 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.587 0.989 7.881 1.00 0.00 H new ATOM 0 HG LEU A 25 3.940 -0.554 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.754 1.628 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.157 1.037 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.967 2.327 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.778 1.098 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.013 1.798 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.639 0.132 7.286 1.00 0.00 H new ATOM 388 N ASP A 26 2.173 -2.353 9.505 1.00 0.00 N ATOM 389 CA ASP A 26 1.279 -2.888 10.576 1.00 0.00 C ATOM 390 C ASP A 26 -0.135 -2.365 10.369 1.00 0.00 C ATOM 391 O ASP A 26 -0.866 -2.115 11.306 1.00 0.00 O ATOM 392 CB ASP A 26 1.859 -2.404 11.900 1.00 0.00 C ATOM 393 CG ASP A 26 1.301 -3.247 13.046 1.00 0.00 C ATOM 394 OD1 ASP A 26 1.744 -4.375 13.195 1.00 0.00 O ATOM 395 OD2 ASP A 26 0.442 -2.750 13.756 1.00 0.00 O ATOM 0 H ASP A 26 2.260 -2.968 8.696 1.00 0.00 H new ATOM 0 HA ASP A 26 1.226 -3.977 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.946 -2.475 11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.611 -1.354 12.054 1.00 0.00 H new ATOM 400 N GLN A 27 -0.521 -2.197 9.137 1.00 0.00 N ATOM 401 CA GLN A 27 -1.887 -1.686 8.851 1.00 0.00 C ATOM 402 C GLN A 27 -2.615 -2.662 7.925 1.00 0.00 C ATOM 403 O GLN A 27 -2.050 -3.163 6.972 1.00 0.00 O ATOM 404 CB GLN A 27 -1.660 -0.345 8.149 1.00 0.00 C ATOM 405 CG GLN A 27 -0.480 0.386 8.801 1.00 0.00 C ATOM 406 CD GLN A 27 -0.880 1.834 9.101 1.00 0.00 C ATOM 407 OE1 GLN A 27 -0.764 2.696 8.253 1.00 0.00 O ATOM 408 NE2 GLN A 27 -1.352 2.138 10.278 1.00 0.00 N ATOM 0 H GLN A 27 0.051 -2.392 8.315 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.496 -1.577 9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.460 -0.507 7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.560 0.267 8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.188 -0.120 9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.385 0.366 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.450 1.415 10.991 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.623 3.099 10.486 1.00 0.00 H new ATOM 417 N ARG A 28 -3.864 -2.931 8.185 1.00 0.00 N ATOM 418 CA ARG A 28 -4.618 -3.868 7.308 1.00 0.00 C ATOM 419 C ARG A 28 -5.584 -3.080 6.416 1.00 0.00 C ATOM 420 O ARG A 28 -5.165 -2.351 5.538 1.00 0.00 O ATOM 421 CB ARG A 28 -5.370 -4.801 8.263 1.00 0.00 C ATOM 422 CG ARG A 28 -4.427 -5.901 8.754 1.00 0.00 C ATOM 423 CD ARG A 28 -4.673 -7.173 7.936 1.00 0.00 C ATOM 424 NE ARG A 28 -4.592 -8.291 8.918 1.00 0.00 N ATOM 425 CZ ARG A 28 -4.927 -9.502 8.557 1.00 0.00 C ATOM 426 NH1 ARG A 28 -4.286 -10.097 7.587 1.00 0.00 N ATOM 427 NH2 ARG A 28 -5.907 -10.117 9.163 1.00 0.00 N ATOM 0 H ARG A 28 -4.394 -2.543 8.965 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.968 -4.434 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.758 -4.235 9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.228 -5.243 7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.390 -5.582 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.596 -6.096 9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.648 -7.146 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.927 -7.285 7.149 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.275 -8.112 9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.523 -9.617 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.548 -11.042 7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.411 -9.652 9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.168 -11.062 8.881 1.00 0.00 H new ATOM 441 N GLN A 29 -6.868 -3.212 6.621 1.00 0.00 N ATOM 442 CA GLN A 29 -7.829 -2.468 5.773 1.00 0.00 C ATOM 443 C GLN A 29 -9.271 -2.886 6.082 1.00 0.00 C ATOM 444 O GLN A 29 -10.079 -2.090 6.518 1.00 0.00 O ATOM 445 CB GLN A 29 -7.476 -2.835 4.328 1.00 0.00 C ATOM 446 CG GLN A 29 -6.894 -4.254 4.240 1.00 0.00 C ATOM 447 CD GLN A 29 -7.421 -4.946 2.978 1.00 0.00 C ATOM 448 OE1 GLN A 29 -8.552 -5.602 3.024 1.00 0.00 O flip ATOM 449 NE2 GLN A 29 -6.795 -4.891 1.938 1.00 0.00 N flip ATOM 0 H GLN A 29 -7.287 -3.803 7.339 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.764 -1.395 5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.367 -2.766 3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.755 -2.119 3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.805 -4.211 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.171 -4.828 5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.913 -4.380 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.152 -5.356 1.103 1.00 0.00 H new ATOM 458 N ALA A 30 -9.609 -4.123 5.823 1.00 0.00 N ATOM 459 CA ALA A 30 -11.008 -4.583 6.059 1.00 0.00 C ATOM 460 C ALA A 30 -11.935 -3.881 5.076 1.00 0.00 C ATOM 461 O ALA A 30 -13.143 -3.969 5.166 1.00 0.00 O ATOM 462 CB ALA A 30 -11.348 -4.153 7.478 1.00 0.00 C ATOM 0 H ALA A 30 -8.975 -4.834 5.458 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.116 -5.660 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.366 -4.461 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.654 -4.621 8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.268 -3.069 7.559 1.00 0.00 H new ATOM 468 N GLY A 31 -11.373 -3.167 4.146 1.00 0.00 N ATOM 469 CA GLY A 31 -12.202 -2.437 3.169 1.00 0.00 C ATOM 470 C GLY A 31 -11.454 -1.170 2.755 1.00 0.00 C ATOM 471 O GLY A 31 -12.010 -0.092 2.708 1.00 0.00 O ATOM 0 H GLY A 31 -10.366 -3.060 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.401 -3.062 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.168 -2.182 3.606 1.00 0.00 H new ATOM 475 N ALA A 32 -10.183 -1.284 2.479 1.00 0.00 N ATOM 476 CA ALA A 32 -9.403 -0.074 2.096 1.00 0.00 C ATOM 477 C ALA A 32 -8.735 -0.247 0.734 1.00 0.00 C ATOM 478 O ALA A 32 -8.374 -1.336 0.333 1.00 0.00 O ATOM 479 CB ALA A 32 -8.324 0.060 3.168 1.00 0.00 C ATOM 0 H ALA A 32 -9.655 -2.156 2.502 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.050 0.800 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.706 0.932 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.794 0.178 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.701 -0.834 3.171 1.00 0.00 H new ATOM 485 N ALA A 33 -8.531 0.837 0.046 1.00 0.00 N ATOM 486 CA ALA A 33 -7.844 0.784 -1.271 1.00 0.00 C ATOM 487 C ALA A 33 -6.708 1.805 -1.251 1.00 0.00 C ATOM 488 O ALA A 33 -6.693 2.699 -0.433 1.00 0.00 O ATOM 489 CB ALA A 33 -8.904 1.155 -2.301 1.00 0.00 C ATOM 0 H ALA A 33 -8.815 1.770 0.344 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.417 -0.192 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.465 1.136 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.725 0.440 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.282 2.155 -2.090 1.00 0.00 H new ATOM 495 N LEU A 34 -5.735 1.672 -2.104 1.00 0.00 N ATOM 496 CA LEU A 34 -4.606 2.636 -2.058 1.00 0.00 C ATOM 497 C LEU A 34 -4.059 2.903 -3.466 1.00 0.00 C ATOM 498 O LEU A 34 -4.134 2.062 -4.340 1.00 0.00 O ATOM 499 CB LEU A 34 -3.577 1.939 -1.145 1.00 0.00 C ATOM 500 CG LEU A 34 -2.214 1.782 -1.838 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.175 1.293 -0.823 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.331 0.756 -2.968 1.00 0.00 C ATOM 0 H LEU A 34 -5.672 0.949 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.886 3.619 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.455 2.516 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.953 0.958 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.904 2.745 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.209 1.182 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.088 2.018 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.488 0.331 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.365 0.644 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.642 -0.204 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.070 1.096 -3.693 1.00 0.00 H new ATOM 514 N ALA A 35 -3.498 4.064 -3.689 1.00 0.00 N ATOM 515 CA ALA A 35 -2.940 4.364 -5.039 1.00 0.00 C ATOM 516 C ALA A 35 -1.431 4.569 -4.931 1.00 0.00 C ATOM 517 O ALA A 35 -0.964 5.469 -4.262 1.00 0.00 O ATOM 518 CB ALA A 35 -3.640 5.647 -5.488 1.00 0.00 C ATOM 0 H ALA A 35 -3.403 4.810 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.104 3.556 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.280 5.931 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.716 5.479 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.424 6.447 -4.779 1.00 0.00 H new ATOM 524 N ILE A 36 -0.659 3.729 -5.563 1.00 0.00 N ATOM 525 CA ILE A 36 0.821 3.883 -5.457 1.00 0.00 C ATOM 526 C ILE A 36 1.403 4.566 -6.697 1.00 0.00 C ATOM 527 O ILE A 36 1.103 4.214 -7.815 1.00 0.00 O ATOM 528 CB ILE A 36 1.380 2.471 -5.346 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.675 1.724 -4.208 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.877 2.571 -5.054 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.496 0.495 -3.804 1.00 0.00 C ATOM 0 H ILE A 36 -0.982 2.953 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 36 1.081 4.503 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 36 1.215 1.925 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.548 2.385 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.322 1.418 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.299 1.570 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.371 3.106 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.030 3.109 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.989 -0.031 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.600 -0.171 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.484 0.811 -3.468 1.00 0.00 H new ATOM 543 N ASN A 37 2.244 5.537 -6.513 1.00 0.00 N ATOM 544 CA ASN A 37 2.832 6.221 -7.694 1.00 0.00 C ATOM 545 C ASN A 37 1.706 6.656 -8.633 1.00 0.00 C ATOM 546 O ASN A 37 1.889 6.737 -9.826 1.00 0.00 O ATOM 547 CB ASN A 37 3.712 5.173 -8.378 1.00 0.00 C ATOM 548 CG ASN A 37 4.736 4.630 -7.382 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.706 3.466 -7.037 1.00 0.00 O ATOM 550 ND2 ASN A 37 5.650 5.430 -6.905 1.00 0.00 N ATOM 0 H ASN A 37 2.549 5.886 -5.605 1.00 0.00 H new ATOM 0 HA ASN A 37 3.405 7.107 -7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.095 4.360 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.222 5.615 -9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.340 5.078 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.674 6.407 -7.196 1.00 0.00 H new ATOM 557 N GLN A 38 0.545 6.916 -8.082 1.00 0.00 N ATOM 558 CA GLN A 38 -0.644 7.339 -8.896 1.00 0.00 C ATOM 559 C GLN A 38 -1.327 6.109 -9.505 1.00 0.00 C ATOM 560 O GLN A 38 -2.128 6.218 -10.412 1.00 0.00 O ATOM 561 CB GLN A 38 -0.121 8.302 -9.983 1.00 0.00 C ATOM 562 CG GLN A 38 0.087 7.573 -11.321 1.00 0.00 C ATOM 563 CD GLN A 38 1.290 8.172 -12.051 1.00 0.00 C ATOM 564 OE1 GLN A 38 2.021 7.468 -12.717 1.00 0.00 O ATOM 565 NE2 GLN A 38 1.527 9.451 -11.955 1.00 0.00 N ATOM 0 H GLN A 38 0.366 6.852 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.393 7.842 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.828 9.120 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.820 8.745 -9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.248 6.509 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.807 7.663 -11.938 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.913 10.043 -11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.326 9.859 -12.439 1.00 0.00 H new ATOM 574 N GLN A 39 -1.025 4.942 -9.005 1.00 0.00 N ATOM 575 CA GLN A 39 -1.674 3.718 -9.548 1.00 0.00 C ATOM 576 C GLN A 39 -2.642 3.147 -8.514 1.00 0.00 C ATOM 577 O GLN A 39 -2.255 2.549 -7.530 1.00 0.00 O ATOM 578 CB GLN A 39 -0.539 2.729 -9.868 1.00 0.00 C ATOM 579 CG GLN A 39 -0.018 2.054 -8.596 1.00 0.00 C ATOM 580 CD GLN A 39 1.493 1.843 -8.724 1.00 0.00 C ATOM 581 OE1 GLN A 39 2.151 2.531 -9.479 1.00 0.00 O ATOM 582 NE2 GLN A 39 2.074 0.914 -8.016 1.00 0.00 N ATOM 0 H GLN A 39 -0.360 4.785 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.255 3.927 -10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.899 1.971 -10.564 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.277 3.255 -10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.239 2.671 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.520 1.098 -8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.522 0.336 -7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.080 0.766 -8.096 1.00 0.00 H new ATOM 591 N ILE A 40 -3.908 3.329 -8.725 1.00 0.00 N ATOM 592 CA ILE A 40 -4.886 2.793 -7.746 1.00 0.00 C ATOM 593 C ILE A 40 -5.000 1.285 -7.921 1.00 0.00 C ATOM 594 O ILE A 40 -5.562 0.802 -8.884 1.00 0.00 O ATOM 595 CB ILE A 40 -6.217 3.465 -8.082 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.216 4.899 -7.543 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.364 2.670 -7.443 1.00 0.00 C ATOM 598 CD1 ILE A 40 -5.402 5.795 -8.479 1.00 0.00 C ATOM 0 H ILE A 40 -4.308 3.821 -9.524 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.589 2.989 -6.716 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.353 3.489 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.238 5.270 -7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.791 4.921 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.314 3.147 -7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.362 1.652 -7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.231 2.646 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.401 6.816 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.377 5.427 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.847 5.781 -9.474 1.00 0.00 H new ATOM 610 N VAL A 41 -4.475 0.537 -6.999 1.00 0.00 N ATOM 611 CA VAL A 41 -4.560 -0.937 -7.121 1.00 0.00 C ATOM 612 C VAL A 41 -5.694 -1.473 -6.296 1.00 0.00 C ATOM 613 O VAL A 41 -5.975 -0.980 -5.222 1.00 0.00 O ATOM 614 CB VAL A 41 -3.285 -1.482 -6.532 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.223 -2.984 -6.808 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.098 -0.775 -7.167 1.00 0.00 C ATOM 0 H VAL A 41 -3.992 0.881 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.711 -1.218 -8.163 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.258 -1.312 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.305 -3.394 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.082 -3.474 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.238 -3.157 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.173 -1.166 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.106 -0.946 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.164 0.295 -6.969 1.00 0.00 H new ATOM 626 N PRO A 42 -6.280 -2.498 -6.795 1.00 0.00 N ATOM 627 CA PRO A 42 -7.353 -3.131 -6.050 1.00 0.00 C ATOM 628 C PRO A 42 -6.797 -3.894 -4.858 1.00 0.00 C ATOM 629 O PRO A 42 -5.928 -4.735 -4.969 1.00 0.00 O ATOM 630 CB PRO A 42 -7.992 -4.056 -7.040 1.00 0.00 C ATOM 631 CG PRO A 42 -6.947 -4.337 -8.065 1.00 0.00 C ATOM 632 CD PRO A 42 -6.021 -3.153 -8.081 1.00 0.00 C ATOM 0 HA PRO A 42 -8.065 -2.414 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.325 -4.975 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.871 -3.598 -7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.403 -5.249 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.399 -4.487 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.979 -3.460 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.233 -2.489 -8.919 1.00 0.00 H new ATOM 640 N ARG A 43 -7.316 -3.570 -3.732 1.00 0.00 N ATOM 641 CA ARG A 43 -6.895 -4.204 -2.440 1.00 0.00 C ATOM 642 C ARG A 43 -6.360 -5.620 -2.625 1.00 0.00 C ATOM 643 O ARG A 43 -5.282 -5.955 -2.178 1.00 0.00 O ATOM 644 CB ARG A 43 -8.169 -4.270 -1.591 1.00 0.00 C ATOM 645 CG ARG A 43 -9.374 -4.707 -2.435 1.00 0.00 C ATOM 646 CD ARG A 43 -10.661 -4.198 -1.780 1.00 0.00 C ATOM 647 NE ARG A 43 -11.462 -3.613 -2.893 1.00 0.00 N ATOM 648 CZ ARG A 43 -10.952 -2.679 -3.649 1.00 0.00 C ATOM 649 NH1 ARG A 43 -10.608 -1.532 -3.129 1.00 0.00 N ATOM 650 NH2 ARG A 43 -10.788 -2.890 -4.926 1.00 0.00 N ATOM 0 H ARG A 43 -8.046 -2.865 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.091 -3.624 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.025 -4.970 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.366 -3.293 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.286 -4.312 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.400 -5.794 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.201 -5.009 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.445 -3.451 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.412 -3.944 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.738 -1.365 -2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.210 -0.803 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.058 -3.785 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.389 -2.160 -5.516 1.00 0.00 H new ATOM 664 N GLU A 44 -7.123 -6.457 -3.246 1.00 0.00 N ATOM 665 CA GLU A 44 -6.700 -7.862 -3.437 1.00 0.00 C ATOM 666 C GLU A 44 -5.290 -7.955 -4.023 1.00 0.00 C ATOM 667 O GLU A 44 -4.486 -8.759 -3.594 1.00 0.00 O ATOM 668 CB GLU A 44 -7.746 -8.409 -4.392 1.00 0.00 C ATOM 669 CG GLU A 44 -7.350 -9.816 -4.843 1.00 0.00 C ATOM 670 CD GLU A 44 -8.517 -10.777 -4.612 1.00 0.00 C ATOM 671 OE1 GLU A 44 -9.040 -10.788 -3.509 1.00 0.00 O ATOM 672 OE2 GLU A 44 -8.869 -11.483 -5.544 1.00 0.00 O ATOM 0 H GLU A 44 -8.037 -6.226 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.644 -8.421 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.720 -8.434 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.840 -7.753 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.077 -9.807 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.473 -10.153 -4.290 1.00 0.00 H new ATOM 679 N GLN A 45 -4.973 -7.147 -4.991 1.00 0.00 N ATOM 680 CA GLN A 45 -3.603 -7.213 -5.580 1.00 0.00 C ATOM 681 C GLN A 45 -2.547 -6.888 -4.526 1.00 0.00 C ATOM 682 O GLN A 45 -1.423 -7.335 -4.617 1.00 0.00 O ATOM 683 CB GLN A 45 -3.584 -6.175 -6.702 1.00 0.00 C ATOM 684 CG GLN A 45 -4.242 -6.758 -7.955 1.00 0.00 C ATOM 685 CD GLN A 45 -3.168 -7.063 -8.999 1.00 0.00 C ATOM 686 OE1 GLN A 45 -2.108 -6.469 -8.986 1.00 0.00 O ATOM 687 NE2 GLN A 45 -3.399 -7.966 -9.911 1.00 0.00 N ATOM 0 H GLN A 45 -5.594 -6.448 -5.400 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.375 -8.211 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.112 -5.275 -6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.558 -5.881 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.788 -7.667 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.968 -6.052 -8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.289 -8.464 -9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.690 -8.174 -10.614 1.00 0.00 H new ATOM 696 N TRP A 46 -2.889 -6.119 -3.529 1.00 0.00 N ATOM 697 CA TRP A 46 -1.897 -5.783 -2.484 1.00 0.00 C ATOM 698 C TRP A 46 -1.046 -6.996 -2.127 1.00 0.00 C ATOM 699 O TRP A 46 0.098 -6.874 -1.736 1.00 0.00 O ATOM 700 CB TRP A 46 -2.736 -5.382 -1.273 1.00 0.00 C ATOM 701 CG TRP A 46 -3.399 -4.060 -1.511 1.00 0.00 C ATOM 702 CD1 TRP A 46 -3.431 -3.400 -2.691 1.00 0.00 C ATOM 703 CD2 TRP A 46 -4.133 -3.233 -0.560 1.00 0.00 C ATOM 704 NE1 TRP A 46 -4.123 -2.214 -2.520 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.578 -2.069 -1.224 1.00 0.00 C ATOM 706 CE3 TRP A 46 -4.450 -3.379 0.803 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -5.311 -1.084 -0.560 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -5.192 -2.388 1.472 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.620 -1.242 0.787 1.00 0.00 C ATOM 0 H TRP A 46 -3.815 -5.711 -3.398 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.215 -5.000 -2.815 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -3.490 -6.144 -1.077 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.103 -5.324 -0.387 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.989 -3.742 -3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.278 -1.530 -3.261 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -4.122 -4.257 1.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.637 -0.202 -1.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.433 -2.511 2.518 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.189 -0.483 1.304 1.00 0.00 H new ATOM 720 N ALA A 47 -1.602 -8.159 -2.232 1.00 0.00 N ATOM 721 CA ALA A 47 -0.842 -9.383 -1.872 1.00 0.00 C ATOM 722 C ALA A 47 0.126 -9.788 -2.983 1.00 0.00 C ATOM 723 O ALA A 47 1.043 -10.554 -2.767 1.00 0.00 O ATOM 724 CB ALA A 47 -1.920 -10.432 -1.700 1.00 0.00 C ATOM 0 H ALA A 47 -2.556 -8.320 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.228 -9.244 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.462 -11.384 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.606 -10.123 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.470 -10.546 -2.634 1.00 0.00 H new ATOM 730 N GLN A 48 -0.058 -9.278 -4.165 1.00 0.00 N ATOM 731 CA GLN A 48 0.867 -9.637 -5.274 1.00 0.00 C ATOM 732 C GLN A 48 1.410 -8.360 -5.904 1.00 0.00 C ATOM 733 O GLN A 48 2.156 -8.388 -6.863 1.00 0.00 O ATOM 734 CB GLN A 48 0.014 -10.417 -6.273 1.00 0.00 C ATOM 735 CG GLN A 48 -0.244 -11.822 -5.727 1.00 0.00 C ATOM 736 CD GLN A 48 -0.661 -12.749 -6.869 1.00 0.00 C ATOM 737 OE1 GLN A 48 -0.321 -12.513 -8.012 1.00 0.00 O ATOM 738 NE2 GLN A 48 -1.386 -13.802 -6.607 1.00 0.00 N ATOM 0 H GLN A 48 -0.806 -8.630 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 48 1.721 -10.227 -4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.931 -9.901 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.523 -10.476 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.655 -12.206 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.025 -11.790 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.671 -13.999 -5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.668 -14.428 -7.362 1.00 0.00 H new ATOM 747 N HIS A 49 1.027 -7.238 -5.365 1.00 0.00 N ATOM 748 CA HIS A 49 1.493 -5.943 -5.910 1.00 0.00 C ATOM 749 C HIS A 49 2.819 -5.542 -5.257 1.00 0.00 C ATOM 750 O HIS A 49 2.852 -4.745 -4.345 1.00 0.00 O ATOM 751 CB HIS A 49 0.381 -4.976 -5.532 1.00 0.00 C ATOM 752 CG HIS A 49 0.755 -3.597 -5.989 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.410 -3.119 -7.243 1.00 0.00 N ATOM 754 CD2 HIS A 49 1.461 -2.589 -5.383 1.00 0.00 C ATOM 755 CE1 HIS A 49 0.907 -1.875 -7.352 1.00 0.00 C ATOM 756 NE2 HIS A 49 1.558 -1.502 -6.246 1.00 0.00 N ATOM 0 H HIS A 49 0.404 -7.167 -4.561 1.00 0.00 H new ATOM 0 HA HIS A 49 1.678 -5.966 -6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.558 -5.283 -5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.225 -4.985 -4.453 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.124 -3.620 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.878 -2.633 -4.388 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.794 -1.252 -8.227 1.00 0.00 H new ATOM 764 N ILE A 50 3.904 -6.103 -5.726 1.00 0.00 N ATOM 765 CA ILE A 50 5.245 -5.799 -5.148 1.00 0.00 C ATOM 766 C ILE A 50 5.512 -4.295 -5.094 1.00 0.00 C ATOM 767 O ILE A 50 5.353 -3.574 -6.058 1.00 0.00 O ATOM 768 CB ILE A 50 6.236 -6.465 -6.096 1.00 0.00 C ATOM 769 CG1 ILE A 50 6.064 -7.981 -6.021 1.00 0.00 C ATOM 770 CG2 ILE A 50 7.663 -6.094 -5.686 1.00 0.00 C ATOM 771 CD1 ILE A 50 6.551 -8.481 -4.662 1.00 0.00 C ATOM 0 H ILE A 50 3.916 -6.770 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 50 5.323 -6.160 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 50 6.052 -6.125 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.017 -8.247 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.627 -8.462 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.372 -6.570 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.786 -5.012 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.849 -6.435 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.429 -9.563 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.604 -8.228 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.968 -8.009 -3.871 1.00 0.00 H new ATOM 783 N VAL A 51 5.917 -3.838 -3.948 1.00 0.00 N ATOM 784 CA VAL A 51 6.214 -2.392 -3.747 1.00 0.00 C ATOM 785 C VAL A 51 7.716 -2.146 -3.898 1.00 0.00 C ATOM 786 O VAL A 51 8.525 -3.008 -3.618 1.00 0.00 O ATOM 787 CB VAL A 51 5.747 -2.110 -2.328 1.00 0.00 C ATOM 788 CG1 VAL A 51 5.755 -0.611 -2.083 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.325 -2.650 -2.154 1.00 0.00 C ATOM 0 H VAL A 51 6.059 -4.417 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 51 5.721 -1.745 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 51 6.414 -2.595 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.420 -0.407 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.766 -0.226 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.084 -0.123 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.982 -2.452 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.660 -2.159 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.319 -3.725 -2.336 1.00 0.00 H new ATOM 799 N GLN A 52 8.098 -0.998 -4.385 1.00 0.00 N ATOM 800 CA GLN A 52 9.551 -0.736 -4.601 1.00 0.00 C ATOM 801 C GLN A 52 10.127 0.317 -3.668 1.00 0.00 C ATOM 802 O GLN A 52 9.447 1.210 -3.203 1.00 0.00 O ATOM 803 CB GLN A 52 9.626 -0.182 -6.007 1.00 0.00 C ATOM 804 CG GLN A 52 8.975 -1.165 -6.983 1.00 0.00 C ATOM 805 CD GLN A 52 9.878 -1.369 -8.199 1.00 0.00 C ATOM 806 OE1 GLN A 52 10.616 -0.483 -8.579 1.00 0.00 O ATOM 807 NE2 GLN A 52 9.846 -2.510 -8.832 1.00 0.00 N ATOM 0 H GLN A 52 7.473 -0.234 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 52 10.116 -1.651 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.121 0.783 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.666 -0.012 -6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.798 -2.119 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.004 -0.786 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.226 -3.254 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.441 -2.658 -9.647 1.00 0.00 H new ATOM 816 N ASP A 53 11.408 0.233 -3.444 1.00 0.00 N ATOM 817 CA ASP A 53 12.096 1.238 -2.601 1.00 0.00 C ATOM 818 C ASP A 53 11.821 2.620 -3.157 1.00 0.00 C ATOM 819 O ASP A 53 12.196 2.969 -4.259 1.00 0.00 O ATOM 820 CB ASP A 53 13.570 0.883 -2.683 1.00 0.00 C ATOM 821 CG ASP A 53 14.435 2.114 -2.392 1.00 0.00 C ATOM 822 OD1 ASP A 53 14.358 2.619 -1.286 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.161 2.527 -3.281 1.00 0.00 O ATOM 0 H ASP A 53 12.012 -0.500 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 53 11.756 1.238 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.800 0.092 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.802 0.494 -3.675 1.00 0.00 H new ATOM 828 N GLY A 54 11.112 3.371 -2.401 1.00 0.00 N ATOM 829 CA GLY A 54 10.705 4.733 -2.838 1.00 0.00 C ATOM 830 C GLY A 54 9.210 4.662 -3.128 1.00 0.00 C ATOM 831 O GLY A 54 8.618 5.552 -3.707 1.00 0.00 O ATOM 0 H GLY A 54 10.782 3.105 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.916 5.469 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.259 5.038 -3.726 1.00 0.00 H new ATOM 835 N ASP A 55 8.611 3.571 -2.730 1.00 0.00 N ATOM 836 CA ASP A 55 7.157 3.351 -2.962 1.00 0.00 C ATOM 837 C ASP A 55 6.301 4.551 -2.534 1.00 0.00 C ATOM 838 O ASP A 55 6.469 5.103 -1.476 1.00 0.00 O ATOM 839 CB ASP A 55 6.833 2.146 -2.073 1.00 0.00 C ATOM 840 CG ASP A 55 5.327 2.090 -1.795 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.580 1.884 -2.736 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.950 2.249 -0.645 1.00 0.00 O ATOM 0 H ASP A 55 9.081 2.808 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 55 6.941 3.202 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.156 1.226 -2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.382 2.218 -1.134 1.00 0.00 H new ATOM 847 N GLN A 56 5.332 4.902 -3.325 1.00 0.00 N ATOM 848 CA GLN A 56 4.408 6.002 -2.932 1.00 0.00 C ATOM 849 C GLN A 56 3.031 5.381 -2.732 1.00 0.00 C ATOM 850 O GLN A 56 2.691 4.430 -3.388 1.00 0.00 O ATOM 851 CB GLN A 56 4.395 6.999 -4.094 1.00 0.00 C ATOM 852 CG GLN A 56 3.113 7.829 -4.013 1.00 0.00 C ATOM 853 CD GLN A 56 3.366 9.248 -4.524 1.00 0.00 C ATOM 854 OE1 GLN A 56 3.337 9.492 -5.715 1.00 0.00 O ATOM 855 NE2 GLN A 56 3.608 10.205 -3.669 1.00 0.00 N ATOM 0 H GLN A 56 5.137 4.475 -4.230 1.00 0.00 H new ATOM 0 HA GLN A 56 4.708 6.511 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.269 7.648 -4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.444 6.470 -5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.328 7.357 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.759 7.864 -2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.633 10.002 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.772 11.156 -4.000 1.00 0.00 H new ATOM 864 N ILE A 57 2.246 5.861 -1.817 1.00 0.00 N ATOM 865 CA ILE A 57 0.923 5.212 -1.617 1.00 0.00 C ATOM 866 C ILE A 57 -0.194 6.214 -1.344 1.00 0.00 C ATOM 867 O ILE A 57 -0.009 7.220 -0.689 1.00 0.00 O ATOM 868 CB ILE A 57 1.102 4.332 -0.393 1.00 0.00 C ATOM 869 CG1 ILE A 57 2.024 3.164 -0.712 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.258 3.793 0.049 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.294 2.406 0.584 1.00 0.00 C ATOM 0 H ILE A 57 2.452 6.655 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 57 0.632 4.669 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 57 1.544 4.927 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.564 2.506 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.958 3.523 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.131 3.161 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.917 4.626 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.697 3.207 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.954 1.562 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.768 3.073 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.353 2.040 0.994 1.00 0.00 H new ATOM 883 N LEU A 58 -1.371 5.888 -1.786 1.00 0.00 N ATOM 884 CA LEU A 58 -2.549 6.742 -1.506 1.00 0.00 C ATOM 885 C LEU A 58 -3.509 5.922 -0.650 1.00 0.00 C ATOM 886 O LEU A 58 -3.551 4.718 -0.762 1.00 0.00 O ATOM 887 CB LEU A 58 -3.145 7.085 -2.863 1.00 0.00 C ATOM 888 CG LEU A 58 -2.839 8.548 -3.190 1.00 0.00 C ATOM 889 CD1 LEU A 58 -2.432 8.674 -4.658 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.084 9.401 -2.931 1.00 0.00 C ATOM 0 H LEU A 58 -1.569 5.053 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.315 7.661 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.729 6.433 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.222 6.919 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.022 8.895 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.215 9.717 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.544 8.070 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.247 8.325 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.866 10.443 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.902 9.052 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.372 9.316 -1.883 1.00 0.00 H new ATOM 902 N LEU A 59 -4.245 6.531 0.232 1.00 0.00 N ATOM 903 CA LEU A 59 -5.151 5.721 1.095 1.00 0.00 C ATOM 904 C LEU A 59 -6.620 5.959 0.733 1.00 0.00 C ATOM 905 O LEU A 59 -7.073 7.080 0.616 1.00 0.00 O ATOM 906 CB LEU A 59 -4.852 6.192 2.521 1.00 0.00 C ATOM 907 CG LEU A 59 -5.495 5.246 3.541 1.00 0.00 C ATOM 908 CD1 LEU A 59 -7.001 5.498 3.601 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.238 3.794 3.132 1.00 0.00 C ATOM 0 H LEU A 59 -4.262 7.538 0.394 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.985 4.651 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.774 6.230 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.232 7.204 2.664 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.058 5.429 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.454 4.823 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.186 6.530 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.439 5.321 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.697 3.124 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.670 3.611 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.164 3.611 3.097 1.00 0.00 H new ATOM 921 N PHE A 60 -7.366 4.899 0.568 1.00 0.00 N ATOM 922 CA PHE A 60 -8.811 5.032 0.225 1.00 0.00 C ATOM 923 C PHE A 60 -9.657 4.327 1.290 1.00 0.00 C ATOM 924 O PHE A 60 -9.220 3.377 1.908 1.00 0.00 O ATOM 925 CB PHE A 60 -8.967 4.343 -1.132 1.00 0.00 C ATOM 926 CG PHE A 60 -8.177 5.101 -2.172 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.254 6.497 -2.225 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.367 4.409 -3.080 1.00 0.00 C ATOM 929 CE1 PHE A 60 -7.521 7.203 -3.187 1.00 0.00 C ATOM 930 CE2 PHE A 60 -6.634 5.115 -4.041 1.00 0.00 C ATOM 931 CZ PHE A 60 -6.711 6.512 -4.095 1.00 0.00 C ATOM 0 H PHE A 60 -7.033 3.939 0.657 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.138 6.071 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.616 3.313 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.019 4.305 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.879 7.030 -1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.308 3.331 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.581 8.281 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.008 4.582 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.146 7.056 -4.837 1.00 0.00 H new ATOM 941 N GLN A 61 -10.858 4.785 1.522 1.00 0.00 N ATOM 942 CA GLN A 61 -11.701 4.129 2.562 1.00 0.00 C ATOM 943 C GLN A 61 -13.067 3.720 1.997 1.00 0.00 C ATOM 944 O GLN A 61 -13.736 4.487 1.333 1.00 0.00 O ATOM 945 CB GLN A 61 -11.865 5.189 3.655 1.00 0.00 C ATOM 946 CG GLN A 61 -12.932 6.205 3.235 1.00 0.00 C ATOM 947 CD GLN A 61 -12.599 7.575 3.825 1.00 0.00 C ATOM 948 OE1 GLN A 61 -11.922 7.669 4.829 1.00 0.00 O ATOM 949 NE2 GLN A 61 -13.050 8.651 3.240 1.00 0.00 N ATOM 0 H GLN A 61 -11.288 5.576 1.042 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.243 3.213 2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -12.150 4.715 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.916 5.695 3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.980 6.268 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.914 5.879 3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.619 8.573 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.834 9.570 3.626 1.00 0.00 H new ATOM 958 N VAL A 62 -13.488 2.517 2.281 1.00 0.00 N ATOM 959 CA VAL A 62 -14.816 2.038 1.795 1.00 0.00 C ATOM 960 C VAL A 62 -15.051 0.605 2.279 1.00 0.00 C ATOM 961 O VAL A 62 -14.219 -0.262 2.112 1.00 0.00 O ATOM 962 CB VAL A 62 -14.758 2.099 0.262 1.00 0.00 C ATOM 963 CG1 VAL A 62 -14.040 0.863 -0.291 1.00 0.00 C ATOM 964 CG2 VAL A 62 -16.186 2.140 -0.290 1.00 0.00 C ATOM 0 H VAL A 62 -12.964 1.839 2.834 1.00 0.00 H new ATOM 0 HA VAL A 62 -15.636 2.648 2.173 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.211 2.992 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.006 0.919 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.024 0.826 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.579 -0.036 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -16.154 2.183 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.722 1.244 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -16.699 3.022 0.093 1.00 0.00 H new ATOM 974 N ILE A 63 -16.181 0.346 2.866 1.00 0.00 N ATOM 975 CA ILE A 63 -16.464 -1.030 3.348 1.00 0.00 C ATOM 976 C ILE A 63 -17.702 -1.552 2.631 1.00 0.00 C ATOM 977 O ILE A 63 -18.820 -1.260 3.006 1.00 0.00 O ATOM 978 CB ILE A 63 -16.702 -0.880 4.853 1.00 0.00 C ATOM 979 CG1 ILE A 63 -15.354 -0.914 5.579 1.00 0.00 C ATOM 980 CG2 ILE A 63 -17.579 -2.027 5.362 1.00 0.00 C ATOM 981 CD1 ILE A 63 -14.448 0.196 5.038 1.00 0.00 C ATOM 0 H ILE A 63 -16.921 1.027 3.033 1.00 0.00 H new ATOM 0 HA ILE A 63 -15.657 -1.737 3.153 1.00 0.00 H new ATOM 0 HB ILE A 63 -17.206 0.067 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.504 -0.784 6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.879 -1.885 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.743 -1.912 6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.538 -2.009 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.081 -2.978 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -13.490 0.169 5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.287 0.046 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.922 1.164 5.201 1.00 0.00 H new ATOM 993 N ALA A 64 -17.511 -2.303 1.592 1.00 0.00 N ATOM 994 CA ALA A 64 -18.676 -2.820 0.838 1.00 0.00 C ATOM 995 C ALA A 64 -18.637 -4.351 0.760 1.00 0.00 C ATOM 996 O ALA A 64 -17.655 -4.937 0.348 1.00 0.00 O ATOM 997 CB ALA A 64 -18.532 -2.187 -0.542 1.00 0.00 C ATOM 0 H ALA A 64 -16.598 -2.582 1.232 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.629 -2.574 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.355 -2.512 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.553 -1.101 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.586 -2.495 -0.987 1.00 0.00 H new ATOM 1003 N GLY A 65 -19.700 -5.001 1.155 1.00 0.00 N ATOM 1004 CA GLY A 65 -19.727 -6.491 1.106 1.00 0.00 C ATOM 1005 C GLY A 65 -21.156 -6.964 0.832 1.00 0.00 C ATOM 1006 O GLY A 65 -21.391 -7.809 -0.008 1.00 0.00 O ATOM 0 H GLY A 65 -20.551 -4.564 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -19.057 -6.853 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -19.370 -6.904 2.050 1.00 0.00 H new ATOM 1010 N GLY A 66 -22.113 -6.424 1.537 1.00 0.00 N ATOM 1011 CA GLY A 66 -23.527 -6.843 1.317 1.00 0.00 C ATOM 1012 C GLY A 66 -24.453 -5.647 1.547 1.00 0.00 C ATOM 1013 O GLY A 66 -24.924 -5.090 0.569 1.00 0.00 O ATOM 1014 OXT GLY A 66 -24.672 -5.307 2.698 1.00 0.00 O ATOM 0 H GLY A 66 -21.977 -5.712 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -23.652 -7.224 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -23.787 -7.655 1.997 1.00 0.00 H new TER 1018 GLY A 66