USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 560 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 11 ASN : amide:sc= 0.641 K(o=1.5,f=-1.4) USER MOD Set 1.2: A 16 GLN : amide:sc= 0.9 K(o=1.5,f=-0.66) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 3 HIS : no HD1:sc= 0 X(o=0,f=0.053) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0591 (180deg=0) USER MOD Single : A 4 MET CE :methyl -174:sc= 0 (180deg=-0.0534) USER MOD Single : A 12 GLN : amide:sc= 0.76 K(o=0.76,f=-0.61) USER MOD Single : A 14 GLN : amide:sc= 1.14 K(o=1.1,f=-0.012) USER MOD Single : A 17 GLN : amide:sc= 0.945 K(o=0.94,f=0) USER MOD Single : A 18 MET CE :methyl -152:sc= 0 (180deg=-0.0877) USER MOD Single : A 20 GLN : amide:sc= 1.76 K(o=1.8,f=-0.2) USER MOD Single : A 23 GLN : amide:sc= 0.693 K(o=0.69,f=-1.2) USER MOD Single : A 24 GLN : amide:sc= 0.811 K(o=0.81,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.586 K(o=0.59,f=-0.01) USER MOD Single : A 35 GLN : amide:sc= 1.19 K(o=1.2,f=-0.42) USER MOD Single : A 40 ASN : amide:sc= -0.0764 K(o=-0.076,f=-5.7!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 45 GLN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 48 SER OG : rot 70:sc= 0.71 USER MOD Single : A 49 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 50 HIS : no HD1:sc=-0.00769 X(o=-0.0077,f=-0.11) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.042) USER MOD Single : A 57 MET CE :methyl -176:sc= 0 (180deg=-0.0287) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 68 GLN : amide:sc= 1.1 K(o=1.1,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.166 -4.406 14.874 1.00 10.00 N ATOM 2 CA GLY A 1 16.593 -5.517 13.993 1.00 10.00 C ATOM 3 C GLY A 1 17.171 -5.012 12.676 1.00 10.00 C ATOM 4 O GLY A 1 17.506 -3.832 12.547 1.00 10.00 O ATOM 0 H1 GLY A 1 16.510 -4.578 15.840 1.00 10.00 H new ATOM 0 H2 GLY A 1 16.560 -3.511 14.520 1.00 10.00 H new ATOM 0 H3 GLY A 1 15.128 -4.348 14.881 1.00 10.00 H new ATOM 0 HA2 GLY A 1 17.339 -6.122 14.508 1.00 10.00 H new ATOM 0 HA3 GLY A 1 15.741 -6.166 13.790 1.00 10.00 H new ATOM 10 N SER A 2 17.292 -5.904 11.688 1.00 10.00 N ATOM 11 CA SER A 2 17.952 -5.644 10.389 1.00 10.00 C ATOM 12 C SER A 2 17.203 -6.194 9.159 1.00 10.00 C ATOM 13 O SER A 2 17.631 -5.960 8.025 1.00 10.00 O ATOM 14 CB SER A 2 19.380 -6.207 10.431 1.00 10.00 C ATOM 15 OG SER A 2 19.364 -7.596 10.736 1.00 10.00 O ATOM 0 H SER A 2 16.927 -6.853 11.764 1.00 10.00 H new ATOM 0 HA SER A 2 17.954 -4.562 10.260 1.00 10.00 H new ATOM 0 HB2 SER A 2 19.868 -6.046 9.470 1.00 10.00 H new ATOM 0 HB3 SER A 2 19.965 -5.672 11.179 1.00 10.00 H new ATOM 0 HG SER A 2 20.283 -7.937 10.757 1.00 10.00 H new ATOM 21 N HIS A 3 16.069 -6.877 9.359 1.00 10.00 N ATOM 22 CA HIS A 3 15.216 -7.463 8.313 1.00 10.00 C ATOM 23 C HIS A 3 13.721 -7.331 8.669 1.00 10.00 C ATOM 24 O HIS A 3 13.361 -7.053 9.818 1.00 10.00 O ATOM 25 CB HIS A 3 15.597 -8.942 8.105 1.00 10.00 C ATOM 26 CG HIS A 3 16.966 -9.146 7.504 1.00 10.00 C ATOM 27 ND1 HIS A 3 17.300 -9.011 6.173 1.00 10.00 N ATOM 28 CD2 HIS A 3 18.107 -9.509 8.169 1.00 10.00 C ATOM 29 CE1 HIS A 3 18.609 -9.283 6.039 1.00 10.00 C ATOM 30 NE2 HIS A 3 19.148 -9.598 7.231 1.00 10.00 N ATOM 0 H HIS A 3 15.703 -7.045 10.296 1.00 10.00 H new ATOM 0 HA HIS A 3 15.380 -6.916 7.385 1.00 10.00 H new ATOM 0 HB2 HIS A 3 15.553 -9.456 9.065 1.00 10.00 H new ATOM 0 HB3 HIS A 3 14.855 -9.410 7.459 1.00 10.00 H new ATOM 0 HD2 HIS A 3 18.191 -9.694 9.230 1.00 10.00 H new ATOM 0 HE1 HIS A 3 19.152 -9.253 5.106 1.00 10.00 H new ATOM 0 HE2 HIS A 3 20.119 -9.851 7.416 1.00 10.00 H new ATOM 38 N MET A 4 12.847 -7.534 7.678 1.00 10.00 N ATOM 39 CA MET A 4 11.389 -7.342 7.756 1.00 10.00 C ATOM 40 C MET A 4 10.633 -8.379 6.894 1.00 10.00 C ATOM 41 O MET A 4 11.241 -9.001 6.016 1.00 10.00 O ATOM 42 CB MET A 4 11.052 -5.925 7.249 1.00 10.00 C ATOM 43 CG MET A 4 11.497 -4.820 8.214 1.00 10.00 C ATOM 44 SD MET A 4 10.907 -3.157 7.790 1.00 10.00 S ATOM 45 CE MET A 4 11.774 -2.883 6.220 1.00 10.00 C ATOM 0 H MET A 4 13.147 -7.851 6.756 1.00 10.00 H new ATOM 0 HA MET A 4 11.077 -7.472 8.792 1.00 10.00 H new ATOM 0 HB2 MET A 4 11.529 -5.768 6.282 1.00 10.00 H new ATOM 0 HB3 MET A 4 9.976 -5.849 7.090 1.00 10.00 H new ATOM 0 HG2 MET A 4 11.148 -5.070 9.216 1.00 10.00 H new ATOM 0 HG3 MET A 4 12.586 -4.806 8.250 1.00 10.00 H new ATOM 0 HE1 MET A 4 11.601 -1.861 5.882 1.00 10.00 H new ATOM 0 HE2 MET A 4 12.843 -3.042 6.362 1.00 10.00 H new ATOM 0 HE3 MET A 4 11.400 -3.581 5.471 1.00 10.00 H new ATOM 55 N PRO A 5 9.308 -8.551 7.083 1.00 10.00 N ATOM 56 CA PRO A 5 8.440 -9.219 6.106 1.00 10.00 C ATOM 57 C PRO A 5 8.291 -8.396 4.807 1.00 10.00 C ATOM 58 O PRO A 5 8.786 -7.272 4.701 1.00 10.00 O ATOM 59 CB PRO A 5 7.105 -9.414 6.837 1.00 10.00 C ATOM 60 CG PRO A 5 7.058 -8.226 7.793 1.00 10.00 C ATOM 61 CD PRO A 5 8.518 -8.071 8.213 1.00 10.00 C ATOM 0 HA PRO A 5 8.855 -10.170 5.773 1.00 10.00 H new ATOM 0 HB2 PRO A 5 6.262 -9.409 6.146 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.073 -10.363 7.372 1.00 10.00 H new ATOM 0 HG2 PRO A 5 6.680 -7.328 7.304 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.410 -8.420 8.648 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.752 -7.031 8.440 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.730 -8.649 9.112 1.00 10.00 H new ATOM 69 N LEU A 6 7.572 -8.952 3.820 1.00 10.00 N ATOM 70 CA LEU A 6 7.209 -8.317 2.535 1.00 10.00 C ATOM 71 C LEU A 6 8.395 -8.012 1.586 1.00 10.00 C ATOM 72 O LEU A 6 8.228 -7.309 0.588 1.00 10.00 O ATOM 73 CB LEU A 6 6.302 -7.086 2.770 1.00 10.00 C ATOM 74 CG LEU A 6 5.061 -7.319 3.655 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.335 -5.994 3.864 1.00 10.00 C ATOM 76 CD2 LEU A 6 4.074 -8.309 3.032 1.00 10.00 C ATOM 0 H LEU A 6 7.208 -9.902 3.896 1.00 10.00 H new ATOM 0 HA LEU A 6 6.641 -9.070 1.989 1.00 10.00 H new ATOM 0 HB2 LEU A 6 6.903 -6.298 3.223 1.00 10.00 H new ATOM 0 HB3 LEU A 6 5.968 -6.715 1.801 1.00 10.00 H new ATOM 0 HG LEU A 6 5.414 -7.736 4.598 1.00 10.00 H new ATOM 0 HD11 LEU A 6 3.457 -6.155 4.489 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.004 -5.286 4.353 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.025 -5.593 2.899 1.00 10.00 H new ATOM 0 HD21 LEU A 6 3.219 -8.437 3.696 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.733 -7.926 2.070 1.00 10.00 H new ATOM 0 HD23 LEU A 6 4.566 -9.270 2.886 1.00 10.00 H new ATOM 88 N GLU A 7 9.583 -8.571 1.844 1.00 10.00 N ATOM 89 CA GLU A 7 10.781 -8.446 0.985 1.00 10.00 C ATOM 90 C GLU A 7 10.532 -8.849 -0.480 1.00 10.00 C ATOM 91 O GLU A 7 11.109 -8.261 -1.392 1.00 10.00 O ATOM 92 CB GLU A 7 11.916 -9.311 1.561 1.00 10.00 C ATOM 93 CG GLU A 7 12.572 -8.714 2.817 1.00 10.00 C ATOM 94 CD GLU A 7 13.503 -7.511 2.544 1.00 10.00 C ATOM 95 OE1 GLU A 7 13.960 -7.322 1.390 1.00 10.00 O ATOM 96 OE2 GLU A 7 13.822 -6.774 3.507 1.00 10.00 O ATOM 0 H GLU A 7 9.749 -9.138 2.675 1.00 10.00 H new ATOM 0 HA GLU A 7 11.053 -7.390 0.981 1.00 10.00 H new ATOM 0 HB2 GLU A 7 11.522 -10.298 1.802 1.00 10.00 H new ATOM 0 HB3 GLU A 7 12.679 -9.451 0.795 1.00 10.00 H new ATOM 0 HG2 GLU A 7 11.788 -8.401 3.507 1.00 10.00 H new ATOM 0 HG3 GLU A 7 13.145 -9.494 3.318 1.00 10.00 H new ATOM 103 N PHE A 8 9.636 -9.809 -0.728 1.00 10.00 N ATOM 104 CA PHE A 8 9.261 -10.271 -2.071 1.00 10.00 C ATOM 105 C PHE A 8 8.645 -9.185 -2.981 1.00 10.00 C ATOM 106 O PHE A 8 8.589 -9.369 -4.199 1.00 10.00 O ATOM 107 CB PHE A 8 8.336 -11.493 -1.941 1.00 10.00 C ATOM 108 CG PHE A 8 7.049 -11.256 -1.165 1.00 10.00 C ATOM 109 CD1 PHE A 8 5.924 -10.712 -1.813 1.00 10.00 C ATOM 110 CD2 PHE A 8 6.967 -11.601 0.199 1.00 10.00 C ATOM 111 CE1 PHE A 8 4.729 -10.507 -1.101 1.00 10.00 C ATOM 112 CE2 PHE A 8 5.768 -11.397 0.909 1.00 10.00 C ATOM 113 CZ PHE A 8 4.650 -10.845 0.260 1.00 10.00 C ATOM 0 H PHE A 8 9.139 -10.299 0.016 1.00 10.00 H new ATOM 0 HA PHE A 8 10.185 -10.548 -2.579 1.00 10.00 H new ATOM 0 HB2 PHE A 8 8.079 -11.841 -2.941 1.00 10.00 H new ATOM 0 HB3 PHE A 8 8.890 -12.297 -1.457 1.00 10.00 H new ATOM 0 HD1 PHE A 8 5.979 -10.451 -2.860 1.00 10.00 H new ATOM 0 HD2 PHE A 8 7.825 -12.023 0.701 1.00 10.00 H new ATOM 0 HE1 PHE A 8 3.869 -10.088 -1.602 1.00 10.00 H new ATOM 0 HE2 PHE A 8 5.707 -11.665 1.953 1.00 10.00 H new ATOM 0 HZ PHE A 8 3.733 -10.681 0.806 1.00 10.00 H new ATOM 123 N LEU A 9 8.197 -8.049 -2.428 1.00 10.00 N ATOM 124 CA LEU A 9 7.671 -6.910 -3.194 1.00 10.00 C ATOM 125 C LEU A 9 8.761 -6.009 -3.804 1.00 10.00 C ATOM 126 O LEU A 9 8.475 -5.298 -4.767 1.00 10.00 O ATOM 127 CB LEU A 9 6.778 -6.046 -2.282 1.00 10.00 C ATOM 128 CG LEU A 9 5.558 -6.746 -1.659 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.776 -5.742 -0.810 1.00 10.00 C ATOM 130 CD2 LEU A 9 4.615 -7.305 -2.727 1.00 10.00 C ATOM 0 H LEU A 9 8.190 -7.893 -1.420 1.00 10.00 H new ATOM 0 HA LEU A 9 7.108 -7.339 -4.023 1.00 10.00 H new ATOM 0 HB2 LEU A 9 7.395 -5.651 -1.475 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.424 -5.192 -2.860 1.00 10.00 H new ATOM 0 HG LEU A 9 5.928 -7.572 -1.052 1.00 10.00 H new ATOM 0 HD11 LEU A 9 3.911 -6.236 -0.367 1.00 10.00 H new ATOM 0 HD12 LEU A 9 5.418 -5.357 -0.018 1.00 10.00 H new ATOM 0 HD13 LEU A 9 4.441 -4.917 -1.439 1.00 10.00 H new ATOM 0 HD21 LEU A 9 3.767 -7.791 -2.245 1.00 10.00 H new ATOM 0 HD22 LEU A 9 4.257 -6.491 -3.358 1.00 10.00 H new ATOM 0 HD23 LEU A 9 5.149 -8.031 -3.340 1.00 10.00 H new ATOM 142 N ARG A 10 9.983 -6.018 -3.249 1.00 10.00 N ATOM 143 CA ARG A 10 10.959 -4.901 -3.286 1.00 10.00 C ATOM 144 C ARG A 10 11.410 -4.354 -4.650 1.00 10.00 C ATOM 145 O ARG A 10 12.030 -3.291 -4.691 1.00 10.00 O ATOM 146 CB ARG A 10 12.163 -5.256 -2.395 1.00 10.00 C ATOM 147 CG ARG A 10 13.101 -6.318 -2.994 1.00 10.00 C ATOM 148 CD ARG A 10 14.065 -6.817 -1.912 1.00 10.00 C ATOM 149 NE ARG A 10 14.955 -7.879 -2.415 1.00 10.00 N ATOM 150 CZ ARG A 10 15.607 -8.764 -1.682 1.00 10.00 C ATOM 151 NH1 ARG A 10 15.526 -8.799 -0.382 1.00 10.00 N ATOM 152 NH2 ARG A 10 16.371 -9.651 -2.256 1.00 10.00 N ATOM 0 H ARG A 10 10.338 -6.829 -2.742 1.00 10.00 H new ATOM 0 HA ARG A 10 10.394 -4.052 -2.902 1.00 10.00 H new ATOM 0 HB2 ARG A 10 12.736 -4.350 -2.201 1.00 10.00 H new ATOM 0 HB3 ARG A 10 11.796 -5.613 -1.433 1.00 10.00 H new ATOM 0 HG2 ARG A 10 12.519 -7.151 -3.390 1.00 10.00 H new ATOM 0 HG3 ARG A 10 13.661 -5.895 -3.828 1.00 10.00 H new ATOM 0 HD2 ARG A 10 14.665 -5.983 -1.548 1.00 10.00 H new ATOM 0 HD3 ARG A 10 13.494 -7.194 -1.063 1.00 10.00 H new ATOM 0 HE ARG A 10 15.079 -7.936 -3.426 1.00 10.00 H new ATOM 0 HH11 ARG A 10 14.941 -8.125 0.111 1.00 10.00 H new ATOM 0 HH12 ARG A 10 16.048 -9.501 0.143 1.00 10.00 H new ATOM 0 HH21 ARG A 10 16.466 -9.662 -3.272 1.00 10.00 H new ATOM 0 HH22 ARG A 10 16.874 -10.334 -1.689 1.00 10.00 H new ATOM 166 N ASN A 11 11.117 -5.043 -5.755 1.00 10.00 N ATOM 167 CA ASN A 11 11.409 -4.583 -7.120 1.00 10.00 C ATOM 168 C ASN A 11 10.325 -4.994 -8.151 1.00 10.00 C ATOM 169 O ASN A 11 10.596 -5.037 -9.354 1.00 10.00 O ATOM 170 CB ASN A 11 12.824 -5.074 -7.496 1.00 10.00 C ATOM 171 CG ASN A 11 13.410 -4.366 -8.713 1.00 10.00 C ATOM 172 OD1 ASN A 11 13.114 -3.215 -9.010 1.00 10.00 O ATOM 173 ND2 ASN A 11 14.272 -5.023 -9.455 1.00 10.00 N ATOM 0 H ASN A 11 10.661 -5.955 -5.729 1.00 10.00 H new ATOM 0 HA ASN A 11 11.386 -3.494 -7.145 1.00 10.00 H new ATOM 0 HB2 ASN A 11 13.489 -4.927 -6.645 1.00 10.00 H new ATOM 0 HB3 ASN A 11 12.788 -6.146 -7.691 1.00 10.00 H new ATOM 0 HD21 ASN A 11 14.689 -4.574 -10.271 1.00 10.00 H new ATOM 0 HD22 ASN A 11 14.525 -5.982 -9.215 1.00 10.00 H new ATOM 180 N GLN A 12 9.105 -5.330 -7.710 1.00 10.00 N ATOM 181 CA GLN A 12 8.008 -5.700 -8.621 1.00 10.00 C ATOM 182 C GLN A 12 7.558 -4.509 -9.505 1.00 10.00 C ATOM 183 O GLN A 12 7.616 -3.364 -9.046 1.00 10.00 O ATOM 184 CB GLN A 12 6.817 -6.266 -7.826 1.00 10.00 C ATOM 185 CG GLN A 12 7.146 -7.624 -7.180 1.00 10.00 C ATOM 186 CD GLN A 12 5.926 -8.340 -6.595 1.00 10.00 C ATOM 187 OE1 GLN A 12 4.778 -8.105 -6.950 1.00 10.00 O ATOM 188 NE2 GLN A 12 6.124 -9.263 -5.679 1.00 10.00 N ATOM 0 H GLN A 12 8.850 -5.354 -6.723 1.00 10.00 H new ATOM 0 HA GLN A 12 8.386 -6.473 -9.290 1.00 10.00 H new ATOM 0 HB2 GLN A 12 6.529 -5.556 -7.050 1.00 10.00 H new ATOM 0 HB3 GLN A 12 5.959 -6.379 -8.489 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.611 -8.268 -7.926 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.880 -7.471 -6.389 1.00 10.00 H new ATOM 0 HE21 GLN A 12 7.071 -9.477 -5.367 1.00 10.00 H new ATOM 0 HE22 GLN A 12 5.330 -9.765 -5.281 1.00 10.00 H new ATOM 197 N PRO A 13 7.063 -4.737 -10.743 1.00 10.00 N ATOM 198 CA PRO A 13 6.661 -3.676 -11.679 1.00 10.00 C ATOM 199 C PRO A 13 5.689 -2.618 -11.132 1.00 10.00 C ATOM 200 O PRO A 13 5.776 -1.450 -11.516 1.00 10.00 O ATOM 201 CB PRO A 13 6.044 -4.404 -12.879 1.00 10.00 C ATOM 202 CG PRO A 13 6.774 -5.741 -12.889 1.00 10.00 C ATOM 203 CD PRO A 13 6.950 -6.035 -11.402 1.00 10.00 C ATOM 0 HA PRO A 13 7.545 -3.086 -11.922 1.00 10.00 H new ATOM 0 HB2 PRO A 13 4.968 -4.534 -12.761 1.00 10.00 H new ATOM 0 HB3 PRO A 13 6.199 -3.854 -13.807 1.00 10.00 H new ATOM 0 HG2 PRO A 13 6.194 -6.516 -13.390 1.00 10.00 H new ATOM 0 HG3 PRO A 13 7.732 -5.676 -13.406 1.00 10.00 H new ATOM 0 HD2 PRO A 13 6.101 -6.597 -11.013 1.00 10.00 H new ATOM 0 HD3 PRO A 13 7.840 -6.640 -11.227 1.00 10.00 H new ATOM 211 N GLN A 14 4.775 -2.995 -10.230 1.00 10.00 N ATOM 212 CA GLN A 14 3.870 -2.046 -9.561 1.00 10.00 C ATOM 213 C GLN A 14 4.538 -1.342 -8.371 1.00 10.00 C ATOM 214 O GLN A 14 4.344 -0.143 -8.189 1.00 10.00 O ATOM 215 CB GLN A 14 2.587 -2.765 -9.109 1.00 10.00 C ATOM 216 CG GLN A 14 1.768 -3.276 -10.306 1.00 10.00 C ATOM 217 CD GLN A 14 0.390 -3.807 -9.902 1.00 10.00 C ATOM 218 OE1 GLN A 14 0.216 -4.494 -8.901 1.00 10.00 O ATOM 219 NE2 GLN A 14 -0.641 -3.513 -10.664 1.00 10.00 N ATOM 0 H GLN A 14 4.640 -3.964 -9.942 1.00 10.00 H new ATOM 0 HA GLN A 14 3.615 -1.274 -10.287 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.848 -3.603 -8.463 1.00 10.00 H new ATOM 0 HB3 GLN A 14 1.978 -2.083 -8.516 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.643 -2.467 -11.026 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.324 -4.068 -10.809 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -0.511 -2.943 -11.500 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -1.570 -3.855 -10.419 1.00 10.00 H new ATOM 228 N PHE A 15 5.380 -2.041 -7.600 1.00 10.00 N ATOM 229 CA PHE A 15 6.120 -1.500 -6.446 1.00 10.00 C ATOM 230 C PHE A 15 7.152 -0.438 -6.867 1.00 10.00 C ATOM 231 O PHE A 15 7.434 0.499 -6.124 1.00 10.00 O ATOM 232 CB PHE A 15 6.787 -2.672 -5.709 1.00 10.00 C ATOM 233 CG PHE A 15 7.509 -2.324 -4.417 1.00 10.00 C ATOM 234 CD1 PHE A 15 8.851 -1.898 -4.448 1.00 10.00 C ATOM 235 CD2 PHE A 15 6.862 -2.485 -3.176 1.00 10.00 C ATOM 236 CE1 PHE A 15 9.533 -1.616 -3.252 1.00 10.00 C ATOM 237 CE2 PHE A 15 7.551 -2.224 -1.976 1.00 10.00 C ATOM 238 CZ PHE A 15 8.886 -1.782 -2.015 1.00 10.00 C ATOM 0 H PHE A 15 5.573 -3.029 -7.764 1.00 10.00 H new ATOM 0 HA PHE A 15 5.424 -0.991 -5.779 1.00 10.00 H new ATOM 0 HB2 PHE A 15 6.023 -3.416 -5.485 1.00 10.00 H new ATOM 0 HB3 PHE A 15 7.501 -3.141 -6.386 1.00 10.00 H new ATOM 0 HD1 PHE A 15 9.358 -1.788 -5.395 1.00 10.00 H new ATOM 0 HD2 PHE A 15 5.833 -2.810 -3.145 1.00 10.00 H new ATOM 0 HE1 PHE A 15 10.556 -1.271 -3.283 1.00 10.00 H new ATOM 0 HE2 PHE A 15 7.055 -2.363 -1.027 1.00 10.00 H new ATOM 0 HZ PHE A 15 9.413 -1.571 -1.096 1.00 10.00 H new ATOM 248 N GLN A 16 7.664 -0.536 -8.094 1.00 10.00 N ATOM 249 CA GLN A 16 8.460 0.499 -8.759 1.00 10.00 C ATOM 250 C GLN A 16 7.707 1.833 -8.982 1.00 10.00 C ATOM 251 O GLN A 16 8.355 2.858 -9.207 1.00 10.00 O ATOM 252 CB GLN A 16 8.933 -0.073 -10.106 1.00 10.00 C ATOM 253 CG GLN A 16 10.062 -1.110 -9.962 1.00 10.00 C ATOM 254 CD GLN A 16 10.486 -1.728 -11.298 1.00 10.00 C ATOM 255 OE1 GLN A 16 9.865 -1.564 -12.342 1.00 10.00 O ATOM 256 NE2 GLN A 16 11.578 -2.461 -11.330 1.00 10.00 N ATOM 0 H GLN A 16 7.532 -1.365 -8.673 1.00 10.00 H new ATOM 0 HA GLN A 16 9.295 0.749 -8.105 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.087 -0.535 -10.614 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.278 0.744 -10.739 1.00 10.00 H new ATOM 0 HG2 GLN A 16 10.926 -0.635 -9.498 1.00 10.00 H new ATOM 0 HG3 GLN A 16 9.735 -1.903 -9.289 1.00 10.00 H new ATOM 0 HE21 GLN A 16 12.115 -2.614 -10.476 1.00 10.00 H new ATOM 0 HE22 GLN A 16 11.888 -2.876 -12.209 1.00 10.00 H new ATOM 265 N GLN A 17 6.366 1.850 -8.929 1.00 10.00 N ATOM 266 CA GLN A 17 5.530 2.959 -9.419 1.00 10.00 C ATOM 267 C GLN A 17 4.506 3.476 -8.396 1.00 10.00 C ATOM 268 O GLN A 17 4.481 4.675 -8.129 1.00 10.00 O ATOM 269 CB GLN A 17 4.806 2.515 -10.704 1.00 10.00 C ATOM 270 CG GLN A 17 5.774 2.160 -11.844 1.00 10.00 C ATOM 271 CD GLN A 17 5.026 1.792 -13.123 1.00 10.00 C ATOM 272 OE1 GLN A 17 4.597 2.638 -13.898 1.00 10.00 O ATOM 273 NE2 GLN A 17 4.835 0.517 -13.396 1.00 10.00 N ATOM 0 H GLN A 17 5.822 1.081 -8.538 1.00 10.00 H new ATOM 0 HA GLN A 17 6.203 3.794 -9.613 1.00 10.00 H new ATOM 0 HB2 GLN A 17 4.181 1.650 -10.482 1.00 10.00 H new ATOM 0 HB3 GLN A 17 4.141 3.313 -11.034 1.00 10.00 H new ATOM 0 HG2 GLN A 17 6.434 3.006 -12.038 1.00 10.00 H new ATOM 0 HG3 GLN A 17 6.406 1.326 -11.539 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.186 -0.199 -12.760 1.00 10.00 H new ATOM 0 HE22 GLN A 17 4.336 0.246 -14.243 1.00 10.00 H new ATOM 282 N MET A 18 3.689 2.612 -7.777 1.00 10.00 N ATOM 283 CA MET A 18 2.609 2.998 -6.851 1.00 10.00 C ATOM 284 C MET A 18 3.094 3.827 -5.655 1.00 10.00 C ATOM 285 O MET A 18 2.430 4.763 -5.222 1.00 10.00 O ATOM 286 CB MET A 18 1.852 1.732 -6.419 1.00 10.00 C ATOM 287 CG MET A 18 2.669 0.766 -5.538 1.00 10.00 C ATOM 288 SD MET A 18 1.866 -0.831 -5.234 1.00 10.00 S ATOM 289 CE MET A 18 2.892 -1.451 -3.872 1.00 10.00 C ATOM 0 H MET A 18 3.760 1.603 -7.907 1.00 10.00 H new ATOM 0 HA MET A 18 1.928 3.665 -7.380 1.00 10.00 H new ATOM 0 HB2 MET A 18 0.955 2.028 -5.875 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.523 1.199 -7.311 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.634 0.589 -6.012 1.00 10.00 H new ATOM 0 HG3 MET A 18 2.868 1.247 -4.580 1.00 10.00 H new ATOM 0 HE1 MET A 18 2.894 -2.541 -3.885 1.00 10.00 H new ATOM 0 HE2 MET A 18 3.912 -1.085 -3.989 1.00 10.00 H new ATOM 0 HE3 MET A 18 2.487 -1.100 -2.923 1.00 10.00 H new ATOM 299 N ARG A 19 4.306 3.542 -5.175 1.00 10.00 N ATOM 300 CA ARG A 19 4.981 4.251 -4.080 1.00 10.00 C ATOM 301 C ARG A 19 5.333 5.693 -4.433 1.00 10.00 C ATOM 302 O ARG A 19 5.192 6.578 -3.594 1.00 10.00 O ATOM 303 CB ARG A 19 6.257 3.482 -3.727 1.00 10.00 C ATOM 304 CG ARG A 19 5.962 1.993 -3.476 1.00 10.00 C ATOM 305 CD ARG A 19 7.139 1.242 -2.850 1.00 10.00 C ATOM 306 NE ARG A 19 8.396 1.411 -3.594 1.00 10.00 N ATOM 307 CZ ARG A 19 9.408 2.184 -3.247 1.00 10.00 C ATOM 308 NH1 ARG A 19 9.323 3.034 -2.267 1.00 10.00 N ATOM 309 NH2 ARG A 19 10.538 2.130 -3.890 1.00 10.00 N ATOM 0 H ARG A 19 4.869 2.780 -5.552 1.00 10.00 H new ATOM 0 HA ARG A 19 4.295 4.296 -3.234 1.00 10.00 H new ATOM 0 HB2 ARG A 19 6.979 3.580 -4.538 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.713 3.919 -2.839 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.095 1.907 -2.821 1.00 10.00 H new ATOM 0 HG3 ARG A 19 5.697 1.518 -4.420 1.00 10.00 H new ATOM 0 HD2 ARG A 19 7.281 1.590 -1.827 1.00 10.00 H new ATOM 0 HD3 ARG A 19 6.897 0.181 -2.795 1.00 10.00 H new ATOM 0 HE ARG A 19 8.495 0.881 -4.460 1.00 10.00 H new ATOM 0 HH11 ARG A 19 8.454 3.119 -1.739 1.00 10.00 H new ATOM 0 HH12 ARG A 19 10.125 3.616 -2.026 1.00 10.00 H new ATOM 0 HH21 ARG A 19 10.649 1.485 -4.672 1.00 10.00 H new ATOM 0 HH22 ARG A 19 11.312 2.733 -3.612 1.00 10.00 H new ATOM 323 N GLN A 20 5.703 5.944 -5.690 1.00 10.00 N ATOM 324 CA GLN A 20 5.985 7.294 -6.199 1.00 10.00 C ATOM 325 C GLN A 20 4.746 8.187 -6.162 1.00 10.00 C ATOM 326 O GLN A 20 4.859 9.402 -6.006 1.00 10.00 O ATOM 327 CB GLN A 20 6.508 7.264 -7.641 1.00 10.00 C ATOM 328 CG GLN A 20 7.774 6.403 -7.773 1.00 10.00 C ATOM 329 CD GLN A 20 8.563 6.648 -9.060 1.00 10.00 C ATOM 330 OE1 GLN A 20 8.800 7.774 -9.479 1.00 10.00 O ATOM 331 NE2 GLN A 20 9.042 5.612 -9.715 1.00 10.00 N ATOM 0 H GLN A 20 5.817 5.213 -6.392 1.00 10.00 H new ATOM 0 HA GLN A 20 6.751 7.703 -5.540 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.733 6.873 -8.300 1.00 10.00 H new ATOM 0 HB3 GLN A 20 6.724 8.280 -7.970 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.423 6.597 -6.919 1.00 10.00 H new ATOM 0 HG3 GLN A 20 7.492 5.351 -7.727 1.00 10.00 H new ATOM 0 HE21 GLN A 20 8.855 4.667 -9.381 1.00 10.00 H new ATOM 0 HE22 GLN A 20 9.600 5.754 -10.557 1.00 10.00 H new ATOM 340 N ILE A 21 3.560 7.590 -6.291 1.00 10.00 N ATOM 341 CA ILE A 21 2.282 8.293 -6.189 1.00 10.00 C ATOM 342 C ILE A 21 2.088 8.790 -4.747 1.00 10.00 C ATOM 343 O ILE A 21 1.771 9.956 -4.509 1.00 10.00 O ATOM 344 CB ILE A 21 1.110 7.378 -6.630 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.461 6.595 -7.917 1.00 10.00 C ATOM 346 CG2 ILE A 21 -0.150 8.238 -6.817 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.349 5.700 -8.474 1.00 10.00 C ATOM 0 H ILE A 21 3.460 6.591 -6.472 1.00 10.00 H new ATOM 0 HA ILE A 21 2.291 9.152 -6.860 1.00 10.00 H new ATOM 0 HB ILE A 21 0.922 6.634 -5.856 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.748 7.310 -8.688 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.335 5.975 -7.716 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.981 7.604 -7.127 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.399 8.728 -5.876 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.035 8.993 -7.581 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.702 5.199 -9.375 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.074 4.954 -7.728 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.522 6.309 -8.715 1.00 10.00 H new ATOM 359 N ILE A 22 2.362 7.914 -3.776 1.00 10.00 N ATOM 360 CA ILE A 22 2.221 8.178 -2.330 1.00 10.00 C ATOM 361 C ILE A 22 3.274 9.180 -1.835 1.00 10.00 C ATOM 362 O ILE A 22 2.982 10.053 -1.021 1.00 10.00 O ATOM 363 CB ILE A 22 2.289 6.852 -1.530 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.304 5.769 -2.031 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.036 7.084 -0.031 1.00 10.00 C ATOM 366 CD1 ILE A 22 -0.100 6.270 -2.394 1.00 10.00 C ATOM 0 H ILE A 22 2.698 6.972 -3.974 1.00 10.00 H new ATOM 0 HA ILE A 22 1.243 8.630 -2.163 1.00 10.00 H new ATOM 0 HB ILE A 22 3.302 6.485 -1.692 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.737 5.287 -2.908 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.210 5.004 -1.260 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.091 6.133 0.499 1.00 10.00 H new ATOM 0 HG22 ILE A 22 2.791 7.764 0.364 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.047 7.520 0.108 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.709 5.432 -2.733 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.562 6.724 -1.517 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -0.027 7.011 -3.190 1.00 10.00 H new ATOM 378 N GLN A 23 4.487 9.117 -2.383 1.00 10.00 N ATOM 379 CA GLN A 23 5.601 10.039 -2.120 1.00 10.00 C ATOM 380 C GLN A 23 5.384 11.481 -2.646 1.00 10.00 C ATOM 381 O GLN A 23 6.259 12.335 -2.482 1.00 10.00 O ATOM 382 CB GLN A 23 6.876 9.383 -2.681 1.00 10.00 C ATOM 383 CG GLN A 23 7.349 8.245 -1.756 1.00 10.00 C ATOM 384 CD GLN A 23 8.503 7.419 -2.327 1.00 10.00 C ATOM 385 OE1 GLN A 23 8.581 7.110 -3.510 1.00 10.00 O ATOM 386 NE2 GLN A 23 9.443 7.013 -1.501 1.00 10.00 N ATOM 0 H GLN A 23 4.735 8.390 -3.054 1.00 10.00 H new ATOM 0 HA GLN A 23 5.686 10.189 -1.044 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.681 8.991 -3.679 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.663 10.130 -2.780 1.00 10.00 H new ATOM 0 HG2 GLN A 23 7.658 8.671 -0.801 1.00 10.00 H new ATOM 0 HG3 GLN A 23 6.508 7.583 -1.552 1.00 10.00 H new ATOM 0 HE21 GLN A 23 9.395 7.260 -0.513 1.00 10.00 H new ATOM 0 HE22 GLN A 23 10.220 6.451 -1.849 1.00 10.00 H new ATOM 395 N GLN A 24 4.218 11.776 -3.237 1.00 10.00 N ATOM 396 CA GLN A 24 3.781 13.114 -3.689 1.00 10.00 C ATOM 397 C GLN A 24 2.376 13.451 -3.167 1.00 10.00 C ATOM 398 O GLN A 24 2.092 14.595 -2.805 1.00 10.00 O ATOM 399 CB GLN A 24 3.761 13.176 -5.227 1.00 10.00 C ATOM 400 CG GLN A 24 5.105 12.799 -5.846 1.00 10.00 C ATOM 401 CD GLN A 24 5.041 12.746 -7.370 1.00 10.00 C ATOM 402 OE1 GLN A 24 5.083 13.754 -8.065 1.00 10.00 O ATOM 403 NE2 GLN A 24 4.933 11.566 -7.945 1.00 10.00 N ATOM 0 H GLN A 24 3.518 11.058 -3.424 1.00 10.00 H new ATOM 0 HA GLN A 24 4.491 13.839 -3.292 1.00 10.00 H new ATOM 0 HB2 GLN A 24 2.990 12.504 -5.604 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.489 14.183 -5.543 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.860 13.523 -5.540 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.421 11.829 -5.463 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.897 10.722 -7.374 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.885 11.496 -8.961 1.00 10.00 H new ATOM 412 N ASN A 25 1.523 12.430 -3.074 1.00 10.00 N ATOM 413 CA ASN A 25 0.170 12.477 -2.511 1.00 10.00 C ATOM 414 C ASN A 25 -0.031 11.384 -1.434 1.00 10.00 C ATOM 415 O ASN A 25 -0.659 10.354 -1.698 1.00 10.00 O ATOM 416 CB ASN A 25 -0.870 12.418 -3.646 1.00 10.00 C ATOM 417 CG ASN A 25 -1.174 13.790 -4.218 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.841 14.118 -5.349 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.837 14.630 -3.451 1.00 10.00 N ATOM 0 H ASN A 25 1.769 11.498 -3.407 1.00 10.00 H new ATOM 0 HA ASN A 25 0.026 13.425 -1.992 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.502 11.769 -4.440 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.790 11.971 -3.270 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -2.075 15.559 -3.799 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -2.112 14.352 -2.509 1.00 10.00 H new ATOM 426 N PRO A 26 0.478 11.591 -0.201 1.00 10.00 N ATOM 427 CA PRO A 26 0.409 10.602 0.880 1.00 10.00 C ATOM 428 C PRO A 26 -1.025 10.272 1.328 1.00 10.00 C ATOM 429 O PRO A 26 -1.286 9.165 1.799 1.00 10.00 O ATOM 430 CB PRO A 26 1.248 11.184 2.020 1.00 10.00 C ATOM 431 CG PRO A 26 1.202 12.688 1.770 1.00 10.00 C ATOM 432 CD PRO A 26 1.203 12.772 0.251 1.00 10.00 C ATOM 0 HA PRO A 26 0.794 9.641 0.538 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.833 10.927 2.995 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.270 10.805 1.999 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.310 13.143 2.201 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.062 13.198 2.205 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.719 13.686 -0.093 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.220 12.783 -0.141 1.00 10.00 H new ATOM 440 N SER A 27 -1.974 11.189 1.109 1.00 10.00 N ATOM 441 CA SER A 27 -3.418 10.987 1.319 1.00 10.00 C ATOM 442 C SER A 27 -4.014 9.819 0.514 1.00 10.00 C ATOM 443 O SER A 27 -5.105 9.349 0.841 1.00 10.00 O ATOM 444 CB SER A 27 -4.180 12.270 0.957 1.00 10.00 C ATOM 445 OG SER A 27 -3.606 13.408 1.589 1.00 10.00 O ATOM 0 H SER A 27 -1.754 12.125 0.769 1.00 10.00 H new ATOM 0 HA SER A 27 -3.531 10.737 2.374 1.00 10.00 H new ATOM 0 HB2 SER A 27 -4.170 12.408 -0.124 1.00 10.00 H new ATOM 0 HB3 SER A 27 -5.223 12.173 1.257 1.00 10.00 H new ATOM 0 HG SER A 27 -4.110 14.210 1.339 1.00 10.00 H new ATOM 451 N LEU A 28 -3.312 9.327 -0.518 1.00 10.00 N ATOM 452 CA LEU A 28 -3.732 8.190 -1.343 1.00 10.00 C ATOM 453 C LEU A 28 -3.150 6.840 -0.886 1.00 10.00 C ATOM 454 O LEU A 28 -3.431 5.826 -1.519 1.00 10.00 O ATOM 455 CB LEU A 28 -3.396 8.460 -2.821 1.00 10.00 C ATOM 456 CG LEU A 28 -4.011 9.737 -3.421 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.766 9.731 -4.928 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.519 9.874 -3.198 1.00 10.00 C ATOM 0 H LEU A 28 -2.416 9.720 -0.807 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.811 8.100 -1.220 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.312 8.517 -2.924 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.728 7.606 -3.412 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.533 10.574 -2.913 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.196 10.630 -5.370 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.694 9.708 -5.122 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.233 8.851 -5.369 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -5.871 10.800 -3.652 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -6.033 9.028 -3.655 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.729 9.891 -2.128 1.00 10.00 H new ATOM 470 N LEU A 29 -2.379 6.778 0.210 1.00 10.00 N ATOM 471 CA LEU A 29 -1.983 5.502 0.824 1.00 10.00 C ATOM 472 C LEU A 29 -3.203 4.602 1.138 1.00 10.00 C ATOM 473 O LEU A 29 -3.224 3.463 0.662 1.00 10.00 O ATOM 474 CB LEU A 29 -1.075 5.773 2.040 1.00 10.00 C ATOM 475 CG LEU A 29 -0.547 4.518 2.759 1.00 10.00 C ATOM 476 CD1 LEU A 29 0.204 3.569 1.826 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.405 4.930 3.883 1.00 10.00 C ATOM 0 H LEU A 29 -2.016 7.601 0.691 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.398 4.925 0.107 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.223 6.369 1.711 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.628 6.378 2.759 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.420 3.993 3.147 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.552 2.704 2.390 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.463 3.239 1.029 1.00 10.00 H new ATOM 0 HD13 LEU A 29 1.059 4.087 1.392 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.777 4.039 4.390 1.00 10.00 H new ATOM 0 HD22 LEU A 29 1.244 5.486 3.464 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.126 5.559 4.598 1.00 10.00 H new ATOM 489 N PRO A 30 -4.265 5.099 1.816 1.00 10.00 N ATOM 490 CA PRO A 30 -5.548 4.398 1.938 1.00 10.00 C ATOM 491 C PRO A 30 -6.105 3.891 0.610 1.00 10.00 C ATOM 492 O PRO A 30 -6.506 2.738 0.480 1.00 10.00 O ATOM 493 CB PRO A 30 -6.525 5.416 2.534 1.00 10.00 C ATOM 494 CG PRO A 30 -5.673 6.487 3.191 1.00 10.00 C ATOM 495 CD PRO A 30 -4.275 6.328 2.599 1.00 10.00 C ATOM 0 HA PRO A 30 -5.408 3.511 2.555 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.161 5.845 1.759 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.185 4.943 3.261 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.072 7.481 2.990 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.655 6.363 4.274 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.025 7.184 1.972 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.527 6.284 3.390 1.00 10.00 H new ATOM 503 N ALA A 31 -6.095 4.770 -0.388 1.00 10.00 N ATOM 504 CA ALA A 31 -6.590 4.518 -1.732 1.00 10.00 C ATOM 505 C ALA A 31 -5.745 3.497 -2.530 1.00 10.00 C ATOM 506 O ALA A 31 -6.224 2.980 -3.541 1.00 10.00 O ATOM 507 CB ALA A 31 -6.700 5.881 -2.425 1.00 10.00 C ATOM 0 H ALA A 31 -5.726 5.714 -0.275 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.566 4.036 -1.680 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -7.069 5.744 -3.441 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.391 6.516 -1.871 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.718 6.354 -2.456 1.00 10.00 H new ATOM 513 N LEU A 32 -4.533 3.148 -2.068 1.00 10.00 N ATOM 514 CA LEU A 32 -3.674 2.131 -2.684 1.00 10.00 C ATOM 515 C LEU A 32 -3.795 0.807 -1.928 1.00 10.00 C ATOM 516 O LEU A 32 -3.884 -0.244 -2.552 1.00 10.00 O ATOM 517 CB LEU A 32 -2.234 2.659 -2.682 1.00 10.00 C ATOM 518 CG LEU A 32 -1.162 1.686 -3.201 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.464 1.166 -4.606 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.191 2.402 -3.203 1.00 10.00 C ATOM 0 H LEU A 32 -4.118 3.575 -1.240 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.982 1.938 -3.712 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.199 3.565 -3.287 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.974 2.946 -1.663 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.150 0.821 -2.538 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.673 0.484 -4.919 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.418 0.638 -4.601 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.516 2.004 -5.301 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.961 1.723 -3.569 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.139 3.276 -3.852 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.437 2.717 -2.189 1.00 10.00 H new ATOM 532 N LEU A 33 -3.917 0.845 -0.601 1.00 10.00 N ATOM 533 CA LEU A 33 -4.320 -0.309 0.206 1.00 10.00 C ATOM 534 C LEU A 33 -5.688 -0.845 -0.255 1.00 10.00 C ATOM 535 O LEU A 33 -5.841 -2.040 -0.501 1.00 10.00 O ATOM 536 CB LEU A 33 -4.335 0.117 1.681 1.00 10.00 C ATOM 537 CG LEU A 33 -2.938 0.470 2.229 1.00 10.00 C ATOM 538 CD1 LEU A 33 -3.070 1.466 3.375 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.209 -0.776 2.726 1.00 10.00 C ATOM 0 H LEU A 33 -3.738 1.685 -0.050 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.610 -1.126 0.080 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -4.991 0.980 1.796 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -4.760 -0.689 2.280 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.359 0.910 1.417 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -2.080 1.712 3.759 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.555 2.373 3.015 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.669 1.026 4.172 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.227 -0.495 3.106 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -2.788 -1.242 3.524 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -2.091 -1.481 1.903 1.00 10.00 H new ATOM 551 N GLN A 34 -6.657 0.046 -0.491 1.00 10.00 N ATOM 552 CA GLN A 34 -7.957 -0.295 -1.082 1.00 10.00 C ATOM 553 C GLN A 34 -7.833 -0.886 -2.501 1.00 10.00 C ATOM 554 O GLN A 34 -8.660 -1.717 -2.885 1.00 10.00 O ATOM 555 CB GLN A 34 -8.845 0.966 -1.065 1.00 10.00 C ATOM 556 CG GLN A 34 -10.266 0.781 -1.627 1.00 10.00 C ATOM 557 CD GLN A 34 -11.092 -0.259 -0.868 1.00 10.00 C ATOM 558 OE1 GLN A 34 -11.802 0.039 0.084 1.00 10.00 O ATOM 559 NE2 GLN A 34 -11.033 -1.516 -1.255 1.00 10.00 N ATOM 0 H GLN A 34 -6.560 1.038 -0.274 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.417 -1.082 -0.484 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.922 1.321 -0.037 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -8.346 1.749 -1.636 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -10.787 1.738 -1.599 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -10.198 0.486 -2.674 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -10.446 -1.779 -2.046 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -11.575 -2.227 -0.763 1.00 10.00 H new ATOM 568 N GLN A 35 -6.808 -0.503 -3.271 1.00 10.00 N ATOM 569 CA GLN A 35 -6.578 -1.021 -4.622 1.00 10.00 C ATOM 570 C GLN A 35 -5.912 -2.406 -4.586 1.00 10.00 C ATOM 571 O GLN A 35 -6.327 -3.314 -5.310 1.00 10.00 O ATOM 572 CB GLN A 35 -5.770 0.030 -5.402 1.00 10.00 C ATOM 573 CG GLN A 35 -5.247 -0.473 -6.749 1.00 10.00 C ATOM 574 CD GLN A 35 -4.567 0.601 -7.602 1.00 10.00 C ATOM 575 OE1 GLN A 35 -4.646 1.801 -7.370 1.00 10.00 O ATOM 576 NE2 GLN A 35 -3.860 0.199 -8.634 1.00 10.00 N ATOM 0 H GLN A 35 -6.111 0.179 -2.971 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.524 -1.181 -5.139 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -6.396 0.906 -5.570 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -4.926 0.353 -4.792 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.538 -1.282 -6.571 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -6.078 -0.896 -7.313 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -3.783 -0.796 -8.843 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -3.388 0.882 -9.226 1.00 10.00 H new ATOM 585 N ILE A 36 -4.952 -2.616 -3.681 1.00 10.00 N ATOM 586 CA ILE A 36 -4.397 -3.939 -3.363 1.00 10.00 C ATOM 587 C ILE A 36 -5.523 -4.876 -2.890 1.00 10.00 C ATOM 588 O ILE A 36 -5.582 -6.017 -3.330 1.00 10.00 O ATOM 589 CB ILE A 36 -3.247 -3.822 -2.343 1.00 10.00 C ATOM 590 CG1 ILE A 36 -2.082 -2.978 -2.918 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.711 -5.222 -1.972 1.00 10.00 C ATOM 592 CD1 ILE A 36 -1.154 -2.441 -1.824 1.00 10.00 C ATOM 0 H ILE A 36 -4.531 -1.861 -3.139 1.00 10.00 H new ATOM 0 HA ILE A 36 -3.963 -4.378 -4.262 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.643 -3.331 -1.454 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.505 -3.587 -3.614 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.489 -2.143 -3.488 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -1.900 -5.122 -1.251 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.514 -5.815 -1.534 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.340 -5.719 -2.868 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.355 -1.857 -2.280 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -1.723 -1.809 -1.142 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.723 -3.275 -1.270 1.00 10.00 H new ATOM 604 N GLY A 37 -6.501 -4.383 -2.118 1.00 10.00 N ATOM 605 CA GLY A 37 -7.728 -5.105 -1.750 1.00 10.00 C ATOM 606 C GLY A 37 -8.652 -5.527 -2.905 1.00 10.00 C ATOM 607 O GLY A 37 -9.691 -6.142 -2.650 1.00 10.00 O ATOM 0 H GLY A 37 -6.460 -3.444 -1.721 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.444 -6.000 -1.197 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.301 -4.477 -1.067 1.00 10.00 H new ATOM 611 N ARG A 38 -8.306 -5.223 -4.165 1.00 10.00 N ATOM 612 CA ARG A 38 -9.000 -5.682 -5.379 1.00 10.00 C ATOM 613 C ARG A 38 -8.078 -6.413 -6.362 1.00 10.00 C ATOM 614 O ARG A 38 -8.506 -7.388 -6.977 1.00 10.00 O ATOM 615 CB ARG A 38 -9.679 -4.478 -6.041 1.00 10.00 C ATOM 616 CG ARG A 38 -10.720 -3.820 -5.125 1.00 10.00 C ATOM 617 CD ARG A 38 -11.959 -4.697 -4.891 1.00 10.00 C ATOM 618 NE ARG A 38 -12.922 -4.051 -3.978 1.00 10.00 N ATOM 619 CZ ARG A 38 -13.071 -4.270 -2.682 1.00 10.00 C ATOM 620 NH1 ARG A 38 -12.281 -5.052 -2.001 1.00 10.00 N ATOM 621 NH2 ARG A 38 -14.038 -3.690 -2.030 1.00 10.00 N ATOM 0 H ARG A 38 -7.505 -4.628 -4.375 1.00 10.00 H new ATOM 0 HA ARG A 38 -9.747 -6.419 -5.084 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.923 -3.742 -6.315 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -10.162 -4.798 -6.964 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.257 -3.592 -4.165 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -11.031 -2.871 -5.562 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -12.444 -4.903 -5.845 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -11.652 -5.657 -4.476 1.00 10.00 H new ATOM 0 HE ARG A 38 -13.543 -3.357 -4.394 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -11.507 -5.526 -2.467 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -12.436 -5.190 -1.002 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -14.681 -3.067 -2.519 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -14.153 -3.859 -1.031 1.00 10.00 H new ATOM 635 N GLU A 39 -6.813 -6.002 -6.485 1.00 10.00 N ATOM 636 CA GLU A 39 -5.808 -6.649 -7.332 1.00 10.00 C ATOM 637 C GLU A 39 -5.139 -7.874 -6.674 1.00 10.00 C ATOM 638 O GLU A 39 -4.784 -8.831 -7.367 1.00 10.00 O ATOM 639 CB GLU A 39 -4.743 -5.602 -7.677 1.00 10.00 C ATOM 640 CG GLU A 39 -5.234 -4.589 -8.720 1.00 10.00 C ATOM 641 CD GLU A 39 -4.062 -3.777 -9.300 1.00 10.00 C ATOM 642 OE1 GLU A 39 -3.294 -4.324 -10.129 1.00 10.00 O ATOM 643 OE2 GLU A 39 -3.907 -2.582 -8.952 1.00 10.00 O ATOM 0 H GLU A 39 -6.451 -5.190 -5.986 1.00 10.00 H new ATOM 0 HA GLU A 39 -6.313 -7.026 -8.221 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -4.451 -5.073 -6.770 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -3.852 -6.105 -8.054 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -5.751 -5.112 -9.524 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -5.957 -3.914 -8.263 1.00 10.00 H new ATOM 650 N ASN A 40 -4.984 -7.865 -5.347 1.00 10.00 N ATOM 651 CA ASN A 40 -4.440 -8.957 -4.535 1.00 10.00 C ATOM 652 C ASN A 40 -5.027 -8.921 -3.100 1.00 10.00 C ATOM 653 O ASN A 40 -4.334 -8.536 -2.152 1.00 10.00 O ATOM 654 CB ASN A 40 -2.898 -8.905 -4.534 1.00 10.00 C ATOM 655 CG ASN A 40 -2.295 -10.232 -4.110 1.00 10.00 C ATOM 656 OD1 ASN A 40 -2.853 -10.972 -3.314 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.145 -10.591 -4.632 1.00 10.00 N ATOM 0 H ASN A 40 -5.247 -7.057 -4.783 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.736 -9.909 -4.976 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -2.541 -8.644 -5.531 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.560 -8.119 -3.859 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -0.723 -11.483 -4.372 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -0.673 -9.978 -5.297 1.00 10.00 H new ATOM 664 N PRO A 41 -6.307 -9.292 -2.903 1.00 10.00 N ATOM 665 CA PRO A 41 -6.979 -9.190 -1.605 1.00 10.00 C ATOM 666 C PRO A 41 -6.316 -9.986 -0.469 1.00 10.00 C ATOM 667 O PRO A 41 -6.533 -9.661 0.701 1.00 10.00 O ATOM 668 CB PRO A 41 -8.434 -9.600 -1.856 1.00 10.00 C ATOM 669 CG PRO A 41 -8.358 -10.450 -3.117 1.00 10.00 C ATOM 670 CD PRO A 41 -7.247 -9.767 -3.908 1.00 10.00 C ATOM 0 HA PRO A 41 -6.908 -8.168 -1.233 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.841 -10.164 -1.017 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.076 -8.731 -1.997 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -8.117 -11.489 -2.892 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.302 -10.453 -3.662 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -6.769 -10.462 -4.598 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -7.637 -8.942 -4.505 1.00 10.00 H new ATOM 678 N GLN A 42 -5.472 -10.983 -0.763 1.00 10.00 N ATOM 679 CA GLN A 42 -4.641 -11.630 0.258 1.00 10.00 C ATOM 680 C GLN A 42 -3.348 -10.878 0.598 1.00 10.00 C ATOM 681 O GLN A 42 -3.004 -10.797 1.777 1.00 10.00 O ATOM 682 CB GLN A 42 -4.311 -13.077 -0.091 1.00 10.00 C ATOM 683 CG GLN A 42 -3.633 -13.340 -1.445 1.00 10.00 C ATOM 684 CD GLN A 42 -3.353 -14.824 -1.699 1.00 10.00 C ATOM 685 OE1 GLN A 42 -3.157 -15.628 -0.796 1.00 10.00 O ATOM 686 NE2 GLN A 42 -3.322 -15.252 -2.944 1.00 10.00 N ATOM 0 H GLN A 42 -5.347 -11.359 -1.703 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.266 -11.607 1.150 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.665 -13.474 0.692 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -5.237 -13.651 -0.061 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -4.267 -12.954 -2.243 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -2.695 -12.787 -1.488 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -3.483 -14.600 -3.712 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -3.138 -16.236 -3.141 1.00 10.00 H new ATOM 695 N LEU A 43 -2.660 -10.264 -0.374 1.00 10.00 N ATOM 696 CA LEU A 43 -1.547 -9.350 -0.070 1.00 10.00 C ATOM 697 C LEU A 43 -2.002 -8.192 0.821 1.00 10.00 C ATOM 698 O LEU A 43 -1.226 -7.657 1.607 1.00 10.00 O ATOM 699 CB LEU A 43 -0.973 -8.781 -1.374 1.00 10.00 C ATOM 700 CG LEU A 43 0.279 -7.904 -1.210 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.399 -8.595 -0.432 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.796 -7.491 -2.587 1.00 10.00 C ATOM 0 H LEU A 43 -2.851 -10.381 -1.369 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.785 -9.919 0.462 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.731 -9.611 -2.038 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.747 -8.193 -1.867 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.019 -7.030 -0.630 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.254 -7.924 -0.351 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.044 -8.852 0.566 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.699 -9.503 -0.955 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.684 -6.869 -2.471 1.00 10.00 H new ATOM 0 HD22 LEU A 43 1.049 -8.381 -3.163 1.00 10.00 H new ATOM 0 HD23 LEU A 43 0.024 -6.927 -3.111 1.00 10.00 H new ATOM 714 N LEU A 44 -3.277 -7.829 0.714 1.00 10.00 N ATOM 715 CA LEU A 44 -3.850 -6.719 1.484 1.00 10.00 C ATOM 716 C LEU A 44 -3.990 -7.094 2.958 1.00 10.00 C ATOM 717 O LEU A 44 -3.490 -6.412 3.851 1.00 10.00 O ATOM 718 CB LEU A 44 -5.212 -6.332 0.889 1.00 10.00 C ATOM 719 CG LEU A 44 -5.779 -4.971 1.339 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.830 -5.109 2.429 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.755 -3.918 1.769 1.00 10.00 C ATOM 0 H LEU A 44 -3.943 -8.291 0.095 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.179 -5.863 1.424 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.124 -6.326 -0.197 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -5.933 -7.108 1.146 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.230 -4.599 0.419 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.196 -4.121 2.709 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.660 -5.712 2.060 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.389 -5.593 3.300 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.273 -3.005 2.063 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.178 -4.295 2.613 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -4.084 -3.702 0.938 1.00 10.00 H new ATOM 733 N GLN A 45 -4.618 -8.239 3.191 1.00 10.00 N ATOM 734 CA GLN A 45 -4.674 -8.901 4.503 1.00 10.00 C ATOM 735 C GLN A 45 -3.278 -9.171 5.108 1.00 10.00 C ATOM 736 O GLN A 45 -3.109 -9.077 6.324 1.00 10.00 O ATOM 737 CB GLN A 45 -5.486 -10.201 4.384 1.00 10.00 C ATOM 738 CG GLN A 45 -6.980 -9.924 4.145 1.00 10.00 C ATOM 739 CD GLN A 45 -7.737 -11.199 3.781 1.00 10.00 C ATOM 740 OE1 GLN A 45 -8.172 -11.969 4.630 1.00 10.00 O ATOM 741 NE2 GLN A 45 -7.916 -11.473 2.506 1.00 10.00 N ATOM 0 H GLN A 45 -5.116 -8.751 2.462 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.169 -8.219 5.195 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.092 -10.801 3.564 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.367 -10.788 5.295 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.417 -9.484 5.041 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.092 -9.193 3.344 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -7.558 -10.838 1.793 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.413 -12.320 2.231 1.00 10.00 H new ATOM 750 N GLN A 46 -2.259 -9.465 4.293 1.00 10.00 N ATOM 751 CA GLN A 46 -0.863 -9.625 4.736 1.00 10.00 C ATOM 752 C GLN A 46 -0.197 -8.286 5.096 1.00 10.00 C ATOM 753 O GLN A 46 0.439 -8.177 6.142 1.00 10.00 O ATOM 754 CB GLN A 46 -0.070 -10.313 3.617 1.00 10.00 C ATOM 755 CG GLN A 46 -0.388 -11.814 3.515 1.00 10.00 C ATOM 756 CD GLN A 46 0.170 -12.459 2.244 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.145 -12.020 1.647 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.431 -13.532 1.770 1.00 10.00 N ATOM 0 H GLN A 46 -2.380 -9.601 3.289 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.866 -10.230 5.643 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.295 -9.831 2.666 1.00 10.00 H new ATOM 0 HB3 GLN A 46 0.997 -10.181 3.797 1.00 10.00 H new ATOM 0 HG2 GLN A 46 0.021 -12.326 4.386 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.469 -11.953 3.542 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -1.245 -13.915 2.251 1.00 10.00 H new ATOM 0 HE22 GLN A 46 -0.082 -13.979 0.922 1.00 10.00 H new ATOM 767 N ILE A 47 -0.383 -7.242 4.283 1.00 10.00 N ATOM 768 CA ILE A 47 0.028 -5.868 4.607 1.00 10.00 C ATOM 769 C ILE A 47 -0.652 -5.381 5.892 1.00 10.00 C ATOM 770 O ILE A 47 -0.002 -4.764 6.729 1.00 10.00 O ATOM 771 CB ILE A 47 -0.233 -4.941 3.399 1.00 10.00 C ATOM 772 CG1 ILE A 47 0.856 -5.221 2.341 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.232 -3.457 3.805 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.552 -4.617 0.970 1.00 10.00 C ATOM 0 H ILE A 47 -0.829 -7.326 3.369 1.00 10.00 H new ATOM 0 HA ILE A 47 1.100 -5.848 4.804 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.222 -5.148 2.991 1.00 10.00 H new ATOM 0 HG12 ILE A 47 1.807 -4.827 2.699 1.00 10.00 H new ATOM 0 HG13 ILE A 47 0.977 -6.299 2.234 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.419 -2.839 2.927 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -1.013 -3.282 4.545 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.737 -3.197 4.232 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.361 -4.855 0.280 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.383 -5.030 0.590 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.460 -3.535 1.061 1.00 10.00 H new ATOM 786 N SER A 48 -1.925 -5.720 6.108 1.00 10.00 N ATOM 787 CA SER A 48 -2.671 -5.358 7.327 1.00 10.00 C ATOM 788 C SER A 48 -2.092 -6.016 8.590 1.00 10.00 C ATOM 789 O SER A 48 -2.089 -5.413 9.664 1.00 10.00 O ATOM 790 CB SER A 48 -4.151 -5.736 7.191 1.00 10.00 C ATOM 791 OG SER A 48 -4.748 -5.070 6.089 1.00 10.00 O ATOM 0 H SER A 48 -2.476 -6.258 5.439 1.00 10.00 H new ATOM 0 HA SER A 48 -2.574 -4.278 7.437 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.244 -6.814 7.062 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.682 -5.477 8.107 1.00 10.00 H new ATOM 0 HG SER A 48 -4.396 -5.440 5.253 1.00 10.00 H new ATOM 797 N GLN A 49 -1.544 -7.228 8.454 1.00 10.00 N ATOM 798 CA GLN A 49 -0.814 -7.961 9.499 1.00 10.00 C ATOM 799 C GLN A 49 0.615 -7.434 9.758 1.00 10.00 C ATOM 800 O GLN A 49 1.224 -7.802 10.767 1.00 10.00 O ATOM 801 CB GLN A 49 -0.788 -9.451 9.104 1.00 10.00 C ATOM 802 CG GLN A 49 -2.127 -10.135 9.416 1.00 10.00 C ATOM 803 CD GLN A 49 -2.193 -11.537 8.816 1.00 10.00 C ATOM 804 OE1 GLN A 49 -1.844 -12.534 9.436 1.00 10.00 O ATOM 805 NE2 GLN A 49 -2.640 -11.662 7.586 1.00 10.00 N ATOM 0 H GLN A 49 -1.598 -7.748 7.578 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.340 -7.811 10.442 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.569 -9.544 8.040 1.00 10.00 H new ATOM 0 HB3 GLN A 49 0.015 -9.957 9.640 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.264 -10.194 10.496 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.945 -9.531 9.023 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.933 -10.836 7.063 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.694 -12.585 7.154 1.00 10.00 H new ATOM 814 N HIS A 50 1.152 -6.565 8.891 1.00 10.00 N ATOM 815 CA HIS A 50 2.554 -6.111 8.894 1.00 10.00 C ATOM 816 C HIS A 50 2.696 -4.595 8.622 1.00 10.00 C ATOM 817 O HIS A 50 3.724 -4.150 8.114 1.00 10.00 O ATOM 818 CB HIS A 50 3.342 -6.927 7.845 1.00 10.00 C ATOM 819 CG HIS A 50 3.328 -8.430 8.016 1.00 10.00 C ATOM 820 ND1 HIS A 50 3.439 -9.134 9.197 1.00 10.00 N ATOM 821 CD2 HIS A 50 3.257 -9.354 7.009 1.00 10.00 C ATOM 822 CE1 HIS A 50 3.420 -10.446 8.909 1.00 10.00 C ATOM 823 NE2 HIS A 50 3.315 -10.633 7.581 1.00 10.00 N ATOM 0 H HIS A 50 0.605 -6.143 8.141 1.00 10.00 H new ATOM 0 HA HIS A 50 2.961 -6.279 9.891 1.00 10.00 H new ATOM 0 HB2 HIS A 50 2.943 -6.691 6.858 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.379 -6.591 7.858 1.00 10.00 H new ATOM 0 HD2 HIS A 50 3.171 -9.136 5.955 1.00 10.00 H new ATOM 0 HE1 HIS A 50 3.480 -11.239 9.640 1.00 10.00 H new ATOM 0 HE2 HIS A 50 3.284 -11.526 7.089 1.00 10.00 H new ATOM 831 N GLN A 51 1.663 -3.789 8.892 1.00 10.00 N ATOM 832 CA GLN A 51 1.486 -2.467 8.271 1.00 10.00 C ATOM 833 C GLN A 51 2.619 -1.459 8.544 1.00 10.00 C ATOM 834 O GLN A 51 2.969 -0.669 7.666 1.00 10.00 O ATOM 835 CB GLN A 51 0.111 -1.913 8.681 1.00 10.00 C ATOM 836 CG GLN A 51 -0.410 -0.893 7.659 1.00 10.00 C ATOM 837 CD GLN A 51 -1.817 -0.383 7.978 1.00 10.00 C ATOM 838 OE1 GLN A 51 -2.248 -0.295 9.122 1.00 10.00 O ATOM 839 NE2 GLN A 51 -2.597 -0.026 6.980 1.00 10.00 N ATOM 0 H GLN A 51 0.923 -4.034 9.549 1.00 10.00 H new ATOM 0 HA GLN A 51 1.534 -2.611 7.192 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.601 -2.734 8.773 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.184 -1.443 9.662 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.276 -0.047 7.619 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.412 -1.349 6.669 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.259 -0.091 6.020 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.540 0.316 7.167 1.00 10.00 H new ATOM 848 N GLU A 52 3.249 -1.506 9.722 1.00 10.00 N ATOM 849 CA GLU A 52 4.433 -0.687 10.027 1.00 10.00 C ATOM 850 C GLU A 52 5.644 -1.084 9.163 1.00 10.00 C ATOM 851 O GLU A 52 6.315 -0.220 8.597 1.00 10.00 O ATOM 852 CB GLU A 52 4.787 -0.799 11.519 1.00 10.00 C ATOM 853 CG GLU A 52 3.703 -0.193 12.422 1.00 10.00 C ATOM 854 CD GLU A 52 4.117 -0.255 13.905 1.00 10.00 C ATOM 855 OE1 GLU A 52 3.816 -1.268 14.584 1.00 10.00 O ATOM 856 OE2 GLU A 52 4.740 0.712 14.410 1.00 10.00 O ATOM 0 H GLU A 52 2.956 -2.110 10.490 1.00 10.00 H new ATOM 0 HA GLU A 52 4.185 0.348 9.791 1.00 10.00 H new ATOM 0 HB2 GLU A 52 4.929 -1.848 11.779 1.00 10.00 H new ATOM 0 HB3 GLU A 52 5.735 -0.294 11.704 1.00 10.00 H new ATOM 0 HG2 GLU A 52 3.523 0.843 12.135 1.00 10.00 H new ATOM 0 HG3 GLU A 52 2.765 -0.730 12.280 1.00 10.00 H new ATOM 863 N HIS A 53 5.891 -2.388 8.993 1.00 10.00 N ATOM 864 CA HIS A 53 6.936 -2.907 8.105 1.00 10.00 C ATOM 865 C HIS A 53 6.620 -2.641 6.624 1.00 10.00 C ATOM 866 O HIS A 53 7.538 -2.407 5.836 1.00 10.00 O ATOM 867 CB HIS A 53 7.133 -4.410 8.343 1.00 10.00 C ATOM 868 CG HIS A 53 7.471 -4.774 9.767 1.00 10.00 C ATOM 869 ND1 HIS A 53 6.810 -5.692 10.553 1.00 10.00 N ATOM 870 CD2 HIS A 53 8.495 -4.265 10.521 1.00 10.00 C ATOM 871 CE1 HIS A 53 7.419 -5.737 11.750 1.00 10.00 C ATOM 872 NE2 HIS A 53 8.456 -4.881 11.781 1.00 10.00 N ATOM 0 H HIS A 53 5.366 -3.119 9.473 1.00 10.00 H new ATOM 0 HA HIS A 53 7.859 -2.378 8.342 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.223 -4.934 8.053 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.929 -4.768 7.690 1.00 10.00 H new ATOM 0 HD2 HIS A 53 9.208 -3.520 10.201 1.00 10.00 H new ATOM 0 HE1 HIS A 53 7.118 -6.371 12.571 1.00 10.00 H new ATOM 0 HE2 HIS A 53 9.088 -4.713 12.564 1.00 10.00 H new ATOM 880 N PHE A 54 5.335 -2.619 6.241 1.00 10.00 N ATOM 881 CA PHE A 54 4.924 -2.199 4.901 1.00 10.00 C ATOM 882 C PHE A 54 5.288 -0.736 4.651 1.00 10.00 C ATOM 883 O PHE A 54 5.937 -0.460 3.650 1.00 10.00 O ATOM 884 CB PHE A 54 3.427 -2.434 4.659 1.00 10.00 C ATOM 885 CG PHE A 54 2.961 -1.923 3.303 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.477 -2.485 2.118 1.00 10.00 C ATOM 887 CD2 PHE A 54 2.045 -0.855 3.221 1.00 10.00 C ATOM 888 CE1 PHE A 54 3.077 -1.990 0.864 1.00 10.00 C ATOM 889 CE2 PHE A 54 1.636 -0.368 1.966 1.00 10.00 C ATOM 890 CZ PHE A 54 2.152 -0.933 0.787 1.00 10.00 C ATOM 0 H PHE A 54 4.561 -2.890 6.848 1.00 10.00 H new ATOM 0 HA PHE A 54 5.470 -2.818 4.189 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.215 -3.501 4.733 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.855 -1.940 5.444 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.183 -3.300 2.173 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.656 -0.409 4.124 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.480 -2.422 -0.040 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.924 0.442 1.908 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.839 -0.557 -0.176 1.00 10.00 H new ATOM 900 N ILE A 55 4.961 0.194 5.561 1.00 10.00 N ATOM 901 CA ILE A 55 5.345 1.613 5.422 1.00 10.00 C ATOM 902 C ILE A 55 6.872 1.776 5.298 1.00 10.00 C ATOM 903 O ILE A 55 7.342 2.525 4.444 1.00 10.00 O ATOM 904 CB ILE A 55 4.707 2.482 6.517 1.00 10.00 C ATOM 905 CG1 ILE A 55 3.186 2.545 6.231 1.00 10.00 C ATOM 906 CG2 ILE A 55 5.318 3.900 6.569 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.377 3.213 7.340 1.00 10.00 C ATOM 0 H ILE A 55 4.429 -0.010 6.407 1.00 10.00 H new ATOM 0 HA ILE A 55 4.937 1.987 4.483 1.00 10.00 H new ATOM 0 HB ILE A 55 4.901 2.038 7.493 1.00 10.00 H new ATOM 0 HG12 ILE A 55 3.023 3.086 5.299 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.812 1.532 6.081 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.835 4.476 7.358 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.386 3.829 6.774 1.00 10.00 H new ATOM 0 HG23 ILE A 55 5.165 4.397 5.611 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.322 3.219 7.067 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.508 2.660 8.270 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.723 4.238 7.476 1.00 10.00 H new ATOM 919 N GLN A 56 7.658 1.006 6.059 1.00 10.00 N ATOM 920 CA GLN A 56 9.128 0.964 5.961 1.00 10.00 C ATOM 921 C GLN A 56 9.686 0.363 4.644 1.00 10.00 C ATOM 922 O GLN A 56 10.901 0.374 4.442 1.00 10.00 O ATOM 923 CB GLN A 56 9.697 0.233 7.192 1.00 10.00 C ATOM 924 CG GLN A 56 9.508 1.005 8.509 1.00 10.00 C ATOM 925 CD GLN A 56 10.258 2.338 8.544 1.00 10.00 C ATOM 926 OE1 GLN A 56 11.452 2.427 8.284 1.00 10.00 O ATOM 927 NE2 GLN A 56 9.596 3.431 8.859 1.00 10.00 N ATOM 0 H GLN A 56 7.287 0.381 6.775 1.00 10.00 H new ATOM 0 HA GLN A 56 9.462 2.001 5.940 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.216 -0.741 7.280 1.00 10.00 H new ATOM 0 HB3 GLN A 56 10.760 0.051 7.037 1.00 10.00 H new ATOM 0 HG2 GLN A 56 8.445 1.190 8.664 1.00 10.00 H new ATOM 0 HG3 GLN A 56 9.847 0.384 9.338 1.00 10.00 H new ATOM 0 HE21 GLN A 56 8.601 3.379 9.079 1.00 10.00 H new ATOM 0 HE22 GLN A 56 10.078 4.330 8.883 1.00 10.00 H new ATOM 936 N MET A 57 8.831 -0.113 3.729 1.00 10.00 N ATOM 937 CA MET A 57 9.181 -0.568 2.368 1.00 10.00 C ATOM 938 C MET A 57 8.548 0.341 1.297 1.00 10.00 C ATOM 939 O MET A 57 9.219 0.793 0.369 1.00 10.00 O ATOM 940 CB MET A 57 8.717 -2.019 2.180 1.00 10.00 C ATOM 941 CG MET A 57 9.536 -2.993 3.033 1.00 10.00 C ATOM 942 SD MET A 57 11.264 -3.234 2.525 1.00 10.00 S ATOM 943 CE MET A 57 11.028 -4.244 1.037 1.00 10.00 C ATOM 0 H MET A 57 7.833 -0.197 3.921 1.00 10.00 H new ATOM 0 HA MET A 57 10.263 -0.514 2.250 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.663 -2.101 2.446 1.00 10.00 H new ATOM 0 HB3 MET A 57 8.803 -2.295 1.129 1.00 10.00 H new ATOM 0 HG2 MET A 57 9.527 -2.639 4.064 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.037 -3.962 3.024 1.00 10.00 H new ATOM 0 HE1 MET A 57 11.999 -4.540 0.641 1.00 10.00 H new ATOM 0 HE2 MET A 57 10.452 -5.134 1.289 1.00 10.00 H new ATOM 0 HE3 MET A 57 10.491 -3.665 0.286 1.00 10.00 H new ATOM 953 N LEU A 58 7.270 0.683 1.479 1.00 10.00 N ATOM 954 CA LEU A 58 6.472 1.675 0.764 1.00 10.00 C ATOM 955 C LEU A 58 7.175 3.040 0.636 1.00 10.00 C ATOM 956 O LEU A 58 7.173 3.635 -0.439 1.00 10.00 O ATOM 957 CB LEU A 58 5.160 1.705 1.553 1.00 10.00 C ATOM 958 CG LEU A 58 4.060 2.729 1.275 1.00 10.00 C ATOM 959 CD1 LEU A 58 4.260 4.007 2.097 1.00 10.00 C ATOM 960 CD2 LEU A 58 3.827 3.038 -0.205 1.00 10.00 C ATOM 0 H LEU A 58 6.716 0.225 2.203 1.00 10.00 H new ATOM 0 HA LEU A 58 6.306 1.418 -0.282 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.706 0.721 1.441 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.430 1.814 2.603 1.00 10.00 H new ATOM 0 HG LEU A 58 3.140 2.246 1.604 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.460 4.712 1.874 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.243 3.763 3.159 1.00 10.00 H new ATOM 0 HD13 LEU A 58 5.220 4.456 1.844 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.029 3.774 -0.302 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.743 3.436 -0.642 1.00 10.00 H new ATOM 0 HD23 LEU A 58 3.543 2.124 -0.727 1.00 10.00 H new ATOM 972 N ASN A 59 7.833 3.522 1.691 1.00 10.00 N ATOM 973 CA ASN A 59 8.308 4.909 1.787 1.00 10.00 C ATOM 974 C ASN A 59 9.780 5.103 1.341 1.00 10.00 C ATOM 975 O ASN A 59 10.303 6.219 1.371 1.00 10.00 O ATOM 976 CB ASN A 59 8.054 5.358 3.239 1.00 10.00 C ATOM 977 CG ASN A 59 8.026 6.862 3.452 1.00 10.00 C ATOM 978 OD1 ASN A 59 7.818 7.663 2.548 1.00 10.00 O ATOM 979 ND2 ASN A 59 8.176 7.289 4.686 1.00 10.00 N ATOM 0 H ASN A 59 8.055 2.958 2.512 1.00 10.00 H new ATOM 0 HA ASN A 59 7.759 5.537 1.086 1.00 10.00 H new ATOM 0 HB2 ASN A 59 7.103 4.942 3.571 1.00 10.00 H new ATOM 0 HB3 ASN A 59 8.828 4.931 3.876 1.00 10.00 H new ATOM 0 HD21 ASN A 59 8.119 8.287 4.891 1.00 10.00 H new ATOM 0 HD22 ASN A 59 8.349 6.623 5.439 1.00 10.00 H new ATOM 986 N GLU A 60 10.459 4.030 0.929 1.00 10.00 N ATOM 987 CA GLU A 60 11.880 4.016 0.540 1.00 10.00 C ATOM 988 C GLU A 60 12.177 4.774 -0.778 1.00 10.00 C ATOM 989 O GLU A 60 11.309 4.847 -1.655 1.00 10.00 O ATOM 990 CB GLU A 60 12.325 2.555 0.424 1.00 10.00 C ATOM 991 CG GLU A 60 12.465 1.888 1.798 1.00 10.00 C ATOM 992 CD GLU A 60 13.673 2.427 2.593 1.00 10.00 C ATOM 993 OE1 GLU A 60 14.810 1.939 2.379 1.00 10.00 O ATOM 994 OE2 GLU A 60 13.500 3.349 3.426 1.00 10.00 O ATOM 0 H GLU A 60 10.023 3.111 0.853 1.00 10.00 H new ATOM 0 HA GLU A 60 12.441 4.545 1.310 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.602 2.002 -0.176 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.279 2.507 -0.102 1.00 10.00 H new ATOM 0 HG2 GLU A 60 11.553 2.051 2.373 1.00 10.00 H new ATOM 0 HG3 GLU A 60 12.571 0.811 1.667 1.00 10.00 H new ATOM 1001 N PRO A 61 13.393 5.315 -0.984 1.00 10.00 N ATOM 1002 CA PRO A 61 13.729 6.079 -2.188 1.00 10.00 C ATOM 1003 C PRO A 61 13.814 5.194 -3.447 1.00 10.00 C ATOM 1004 O PRO A 61 14.445 4.136 -3.444 1.00 10.00 O ATOM 1005 CB PRO A 61 15.060 6.767 -1.875 1.00 10.00 C ATOM 1006 CG PRO A 61 15.710 5.850 -0.845 1.00 10.00 C ATOM 1007 CD PRO A 61 14.525 5.279 -0.069 1.00 10.00 C ATOM 0 HA PRO A 61 12.949 6.804 -2.423 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.678 6.868 -2.767 1.00 10.00 H new ATOM 0 HB3 PRO A 61 14.908 7.771 -1.478 1.00 10.00 H new ATOM 0 HG2 PRO A 61 16.293 5.062 -1.322 1.00 10.00 H new ATOM 0 HG3 PRO A 61 16.389 6.399 -0.192 1.00 10.00 H new ATOM 0 HD2 PRO A 61 14.729 4.260 0.260 1.00 10.00 H new ATOM 0 HD3 PRO A 61 14.323 5.869 0.825 1.00 10.00 H new ATOM 1015 N VAL A 62 13.209 5.653 -4.550 1.00 10.00 N ATOM 1016 CA VAL A 62 13.262 5.016 -5.881 1.00 10.00 C ATOM 1017 C VAL A 62 14.530 5.342 -6.688 1.00 10.00 C ATOM 1018 O VAL A 62 14.773 4.719 -7.719 1.00 10.00 O ATOM 1019 CB VAL A 62 12.017 5.398 -6.705 1.00 10.00 C ATOM 1020 CG1 VAL A 62 10.776 4.680 -6.168 1.00 10.00 C ATOM 1021 CG2 VAL A 62 11.752 6.910 -6.764 1.00 10.00 C ATOM 0 H VAL A 62 12.650 6.506 -4.545 1.00 10.00 H new ATOM 0 HA VAL A 62 13.285 3.943 -5.691 1.00 10.00 H new ATOM 0 HB VAL A 62 12.228 5.076 -7.725 1.00 10.00 H new ATOM 0 HG11 VAL A 62 9.907 4.962 -6.762 1.00 10.00 H new ATOM 0 HG12 VAL A 62 10.924 3.602 -6.230 1.00 10.00 H new ATOM 0 HG13 VAL A 62 10.613 4.964 -5.128 1.00 10.00 H new ATOM 0 HG21 VAL A 62 10.860 7.100 -7.361 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.601 7.293 -5.755 1.00 10.00 H new ATOM 0 HG23 VAL A 62 12.606 7.412 -7.218 1.00 10.00 H new ATOM 1031 N GLN A 63 15.337 6.307 -6.229 1.00 10.00 N ATOM 1032 CA GLN A 63 16.603 6.781 -6.827 1.00 10.00 C ATOM 1033 C GLN A 63 16.500 7.429 -8.231 1.00 10.00 C ATOM 1034 O GLN A 63 17.505 7.918 -8.753 1.00 10.00 O ATOM 1035 CB GLN A 63 17.680 5.673 -6.783 1.00 10.00 C ATOM 1036 CG GLN A 63 17.914 5.092 -5.375 1.00 10.00 C ATOM 1037 CD GLN A 63 19.031 4.044 -5.324 1.00 10.00 C ATOM 1038 OE1 GLN A 63 19.571 3.586 -6.325 1.00 10.00 O ATOM 1039 NE2 GLN A 63 19.427 3.614 -4.143 1.00 10.00 N ATOM 0 H GLN A 63 15.113 6.815 -5.373 1.00 10.00 H new ATOM 0 HA GLN A 63 16.907 7.613 -6.192 1.00 10.00 H new ATOM 0 HB2 GLN A 63 17.387 4.867 -7.455 1.00 10.00 H new ATOM 0 HB3 GLN A 63 18.619 6.077 -7.161 1.00 10.00 H new ATOM 0 HG2 GLN A 63 18.158 5.905 -4.691 1.00 10.00 H new ATOM 0 HG3 GLN A 63 16.988 4.642 -5.018 1.00 10.00 H new ATOM 0 HE21 GLN A 63 18.993 3.980 -3.295 1.00 10.00 H new ATOM 0 HE22 GLN A 63 20.167 2.915 -4.077 1.00 10.00 H new ATOM 1048 N GLU A 64 15.313 7.481 -8.848 1.00 10.00 N ATOM 1049 CA GLU A 64 15.068 8.216 -10.102 1.00 10.00 C ATOM 1050 C GLU A 64 15.165 9.748 -9.924 1.00 10.00 C ATOM 1051 O GLU A 64 14.961 10.279 -8.826 1.00 10.00 O ATOM 1052 CB GLU A 64 13.687 7.850 -10.681 1.00 10.00 C ATOM 1053 CG GLU A 64 13.588 6.377 -11.103 1.00 10.00 C ATOM 1054 CD GLU A 64 12.353 6.140 -11.994 1.00 10.00 C ATOM 1055 OE1 GLU A 64 11.245 5.893 -11.459 1.00 10.00 O ATOM 1056 OE2 GLU A 64 12.482 6.199 -13.242 1.00 10.00 O ATOM 0 H GLU A 64 14.483 7.009 -8.488 1.00 10.00 H new ATOM 0 HA GLU A 64 15.853 7.916 -10.797 1.00 10.00 H new ATOM 0 HB2 GLU A 64 12.919 8.062 -9.937 1.00 10.00 H new ATOM 0 HB3 GLU A 64 13.480 8.484 -11.543 1.00 10.00 H new ATOM 0 HG2 GLU A 64 14.490 6.088 -11.642 1.00 10.00 H new ATOM 0 HG3 GLU A 64 13.529 5.744 -10.217 1.00 10.00 H new ATOM 1063 N ALA A 65 15.432 10.464 -11.025 1.00 10.00 N ATOM 1064 CA ALA A 65 15.610 11.926 -11.060 1.00 10.00 C ATOM 1065 C ALA A 65 14.925 12.613 -12.270 1.00 10.00 C ATOM 1066 O ALA A 65 15.183 13.786 -12.551 1.00 10.00 O ATOM 1067 CB ALA A 65 17.120 12.208 -11.005 1.00 10.00 C ATOM 0 H ALA A 65 15.533 10.032 -11.943 1.00 10.00 H new ATOM 0 HA ALA A 65 15.108 12.364 -10.198 1.00 10.00 H new ATOM 0 HB1 ALA A 65 17.290 13.284 -11.029 1.00 10.00 H new ATOM 0 HB2 ALA A 65 17.534 11.796 -10.085 1.00 10.00 H new ATOM 0 HB3 ALA A 65 17.608 11.744 -11.862 1.00 10.00 H new ATOM 1073 N GLY A 66 14.069 11.892 -13.006 1.00 10.00 N ATOM 1074 CA GLY A 66 13.253 12.390 -14.129 1.00 10.00 C ATOM 1075 C GLY A 66 14.009 12.623 -15.447 1.00 10.00 C ATOM 1076 O GLY A 66 13.553 12.181 -16.505 1.00 10.00 O ATOM 0 H GLY A 66 13.917 10.899 -12.829 1.00 10.00 H new ATOM 0 HA2 GLY A 66 12.448 11.678 -14.313 1.00 10.00 H new ATOM 0 HA3 GLY A 66 12.786 13.328 -13.828 1.00 10.00 H new ATOM 1080 N GLY A 67 15.170 13.283 -15.396 1.00 10.00 N ATOM 1081 CA GLY A 67 15.978 13.635 -16.574 1.00 10.00 C ATOM 1082 C GLY A 67 17.245 14.442 -16.258 1.00 10.00 C ATOM 1083 O GLY A 67 17.617 15.326 -17.034 1.00 10.00 O ATOM 0 H GLY A 67 15.585 13.595 -14.518 1.00 10.00 H new ATOM 0 HA2 GLY A 67 16.265 12.718 -17.089 1.00 10.00 H new ATOM 0 HA3 GLY A 67 15.360 14.208 -17.265 1.00 10.00 H new ATOM 1087 N GLN A 68 17.884 14.185 -15.111 1.00 10.00 N ATOM 1088 CA GLN A 68 19.047 14.931 -14.605 1.00 10.00 C ATOM 1089 C GLN A 68 20.030 14.003 -13.863 1.00 10.00 C ATOM 1090 O GLN A 68 19.632 12.989 -13.283 1.00 10.00 O ATOM 1091 CB GLN A 68 18.518 16.070 -13.703 1.00 10.00 C ATOM 1092 CG GLN A 68 19.578 17.021 -13.118 1.00 10.00 C ATOM 1093 CD GLN A 68 20.467 17.659 -14.183 1.00 10.00 C ATOM 1094 OE1 GLN A 68 21.515 17.133 -14.534 1.00 10.00 O ATOM 1095 NE2 GLN A 68 20.092 18.786 -14.749 1.00 10.00 N ATOM 0 H GLN A 68 17.599 13.429 -14.488 1.00 10.00 H new ATOM 0 HA GLN A 68 19.615 15.358 -15.432 1.00 10.00 H new ATOM 0 HB2 GLN A 68 17.807 16.662 -14.280 1.00 10.00 H new ATOM 0 HB3 GLN A 68 17.964 15.624 -12.877 1.00 10.00 H new ATOM 0 HG2 GLN A 68 19.079 17.807 -12.552 1.00 10.00 H new ATOM 0 HG3 GLN A 68 20.203 16.470 -12.415 1.00 10.00 H new ATOM 0 HE21 GLN A 68 19.221 19.234 -14.465 1.00 10.00 H new ATOM 0 HE22 GLN A 68 20.673 19.212 -15.472 1.00 10.00 H new ATOM 1104 N GLY A 69 21.319 14.358 -13.871 1.00 10.00 N ATOM 1105 CA GLY A 69 22.399 13.610 -13.211 1.00 10.00 C ATOM 1106 C GLY A 69 23.772 14.306 -13.178 1.00 10.00 C ATOM 1107 O GLY A 69 24.770 13.654 -12.863 1.00 10.00 O ATOM 0 H GLY A 69 21.651 15.196 -14.349 1.00 10.00 H new ATOM 0 HA2 GLY A 69 22.095 13.398 -12.186 1.00 10.00 H new ATOM 0 HA3 GLY A 69 22.511 12.650 -13.715 1.00 10.00 H new ATOM 1111 N GLY A 70 23.851 15.603 -13.506 1.00 10.00 N ATOM 1112 CA GLY A 70 25.112 16.360 -13.587 1.00 10.00 C ATOM 1113 C GLY A 70 24.950 17.888 -13.545 1.00 10.00 C ATOM 1114 O GLY A 70 25.774 18.612 -14.109 1.00 10.00 O ATOM 0 H GLY A 70 23.029 16.166 -13.726 1.00 10.00 H new ATOM 0 HA2 GLY A 70 25.757 16.054 -12.763 1.00 10.00 H new ATOM 0 HA3 GLY A 70 25.624 16.088 -14.510 1.00 10.00 H new ATOM 1118 N GLY A 71 23.883 18.386 -12.912 1.00 10.00 N ATOM 1119 CA GLY A 71 23.533 19.809 -12.835 1.00 10.00 C ATOM 1120 C GLY A 71 22.239 20.073 -12.054 1.00 10.00 C ATOM 1121 O GLY A 71 21.633 19.149 -11.499 1.00 10.00 O ATOM 0 H GLY A 71 23.216 17.790 -12.422 1.00 10.00 H new ATOM 0 HA2 GLY A 71 24.352 20.353 -12.363 1.00 10.00 H new ATOM 0 HA3 GLY A 71 23.427 20.205 -13.845 1.00 10.00 H new ATOM 1125 N GLY A 72 21.814 21.341 -12.010 1.00 10.00 N ATOM 1126 CA GLY A 72 20.607 21.811 -11.307 1.00 10.00 C ATOM 1127 C GLY A 72 20.339 23.301 -11.518 1.00 10.00 C ATOM 1128 O GLY A 72 21.173 24.122 -11.079 1.00 10.00 O ATOM 1129 OXT GLY A 72 19.300 23.637 -12.128 1.00 10.00 O ATOM 0 H GLY A 72 22.315 22.096 -12.478 1.00 10.00 H new ATOM 0 HA2 GLY A 72 19.746 21.239 -11.652 1.00 10.00 H new ATOM 0 HA3 GLY A 72 20.714 21.613 -10.240 1.00 10.00 H new TER 1133 GLY A 72