USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 Single : A 7 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.292) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.953 K(o=-0.95,f=-2.4!) USER MOD Single : A 30 ASN : amide:sc= -2.6 K(o=-2.6,f=-5.3!) USER MOD Single : A 34 THR OG1 : rot 98:sc= 1.01 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 40 MET CE :methyl -169:sc=-0.00885 (180deg=-0.163) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0427 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -91:sc= -2.21! USER MOD Single : A 71 ASN : amide:sc= -0.902 X(o=-0.9,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0786) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.703 F(o=-2.2,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.842 -14.099 8.066 1.00 0.00 N ATOM 2 CA ALA A 2 -2.211 -15.354 8.435 1.00 0.00 C ATOM 3 C ALA A 2 -0.809 -15.414 7.825 1.00 0.00 C ATOM 4 O ALA A 2 0.182 -15.520 8.546 1.00 0.00 O ATOM 5 CB ALA A 2 -3.093 -16.521 7.985 1.00 0.00 C ATOM 0 HA ALA A 2 -2.103 -15.425 9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.619 -17.463 8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.067 -16.449 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.222 -16.484 6.903 1.00 0.00 H new ATOM 11 N ASP A 3 -0.771 -15.343 6.502 1.00 0.00 N ATOM 12 CA ASP A 3 0.493 -15.387 5.787 1.00 0.00 C ATOM 13 C ASP A 3 1.309 -14.138 6.123 1.00 0.00 C ATOM 14 O ASP A 3 0.829 -13.017 5.964 1.00 0.00 O ATOM 15 CB ASP A 3 0.268 -15.412 4.273 1.00 0.00 C ATOM 16 CG ASP A 3 0.213 -16.809 3.650 1.00 0.00 C ATOM 17 OD1 ASP A 3 0.532 -17.770 4.383 1.00 0.00 O ATOM 18 OD2 ASP A 3 -0.148 -16.883 2.456 1.00 0.00 O ATOM 0 H ASP A 3 -1.595 -15.255 5.907 1.00 0.00 H new ATOM 0 HA ASP A 3 1.020 -16.292 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.665 -14.895 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.067 -14.848 3.793 1.00 0.00 H new ATOM 23 N GLU A 4 2.529 -14.373 6.581 1.00 0.00 N ATOM 24 CA GLU A 4 3.417 -13.281 6.941 1.00 0.00 C ATOM 25 C GLU A 4 4.373 -12.971 5.788 1.00 0.00 C ATOM 26 O GLU A 4 5.121 -11.996 5.841 1.00 0.00 O ATOM 27 CB GLU A 4 4.189 -13.601 8.223 1.00 0.00 C ATOM 28 CG GLU A 4 4.012 -12.492 9.262 1.00 0.00 C ATOM 29 CD GLU A 4 3.874 -13.077 10.670 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.813 -13.792 11.081 1.00 0.00 O ATOM 31 OE2 GLU A 4 2.834 -12.796 11.302 1.00 0.00 O ATOM 0 H GLU A 4 2.924 -15.304 6.711 1.00 0.00 H new ATOM 0 HA GLU A 4 2.811 -12.395 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.841 -14.548 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.247 -13.723 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.867 -11.816 9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.128 -11.901 9.022 1.00 0.00 H new ATOM 38 N ALA A 5 4.318 -13.820 4.772 1.00 0.00 N ATOM 39 CA ALA A 5 5.171 -13.650 3.607 1.00 0.00 C ATOM 40 C ALA A 5 4.607 -12.532 2.727 1.00 0.00 C ATOM 41 O ALA A 5 5.268 -12.077 1.796 1.00 0.00 O ATOM 42 CB ALA A 5 5.285 -14.979 2.859 1.00 0.00 C ATOM 0 H ALA A 5 3.696 -14.628 4.731 1.00 0.00 H new ATOM 0 HA ALA A 5 6.177 -13.358 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.925 -14.851 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.717 -15.732 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.295 -15.303 2.539 1.00 0.00 H new ATOM 48 N ILE A 6 3.389 -12.122 3.055 1.00 0.00 N ATOM 49 CA ILE A 6 2.729 -11.066 2.306 1.00 0.00 C ATOM 50 C ILE A 6 2.962 -9.727 3.007 1.00 0.00 C ATOM 51 O ILE A 6 3.476 -8.787 2.401 1.00 0.00 O ATOM 52 CB ILE A 6 1.251 -11.402 2.096 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.073 -12.409 0.959 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.427 -10.132 1.872 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.322 -13.036 0.995 1.00 0.00 C ATOM 0 H ILE A 6 2.843 -12.502 3.828 1.00 0.00 H new ATOM 0 HA ILE A 6 3.158 -10.982 1.307 1.00 0.00 H new ATOM 0 HB ILE A 6 0.876 -11.874 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.228 -11.912 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.829 -13.190 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.620 -10.399 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.517 -9.481 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.796 -9.610 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.422 -13.748 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.464 -13.552 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.075 -12.255 0.890 1.00 0.00 H new ATOM 67 N LYS A 7 2.574 -9.683 4.273 1.00 0.00 N ATOM 68 CA LYS A 7 2.735 -8.473 5.062 1.00 0.00 C ATOM 69 C LYS A 7 4.190 -8.009 4.986 1.00 0.00 C ATOM 70 O LYS A 7 4.467 -6.811 5.038 1.00 0.00 O ATOM 71 CB LYS A 7 2.235 -8.696 6.491 1.00 0.00 C ATOM 72 CG LYS A 7 1.278 -7.580 6.918 1.00 0.00 C ATOM 73 CD LYS A 7 1.311 -7.381 8.435 1.00 0.00 C ATOM 74 CE LYS A 7 0.224 -8.212 9.120 1.00 0.00 C ATOM 75 NZ LYS A 7 0.645 -9.628 9.228 1.00 0.00 N ATOM 0 H LYS A 7 2.149 -10.465 4.772 1.00 0.00 H new ATOM 0 HA LYS A 7 2.122 -7.669 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.729 -9.659 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.083 -8.734 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.552 -6.650 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.264 -7.824 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.290 -7.666 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.170 -6.326 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.022 -7.810 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.705 -8.145 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.052 -10.114 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.538 -10.093 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.641 -9.672 9.525 1.00 0.00 H new ATOM 89 N ASN A 8 5.082 -8.980 4.863 1.00 0.00 N ATOM 90 CA ASN A 8 6.503 -8.686 4.780 1.00 0.00 C ATOM 91 C ASN A 8 6.806 -8.037 3.427 1.00 0.00 C ATOM 92 O ASN A 8 7.369 -6.945 3.371 1.00 0.00 O ATOM 93 CB ASN A 8 7.338 -9.963 4.888 1.00 0.00 C ATOM 94 CG ASN A 8 8.738 -9.660 5.425 1.00 0.00 C ATOM 95 OD1 ASN A 8 9.330 -8.631 5.141 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.233 -10.609 6.214 1.00 0.00 N ATOM 0 H ASN A 8 4.849 -9.972 4.819 1.00 0.00 H new ATOM 0 HA ASN A 8 6.758 -8.018 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.838 -10.674 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.415 -10.435 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.161 -10.500 6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.684 -11.446 6.411 1.00 0.00 H new ATOM 103 N GLY A 9 6.417 -8.736 2.370 1.00 0.00 N ATOM 104 CA GLY A 9 6.640 -8.241 1.023 1.00 0.00 C ATOM 105 C GLY A 9 5.884 -6.932 0.787 1.00 0.00 C ATOM 106 O GLY A 9 6.394 -6.026 0.130 1.00 0.00 O ATOM 0 H GLY A 9 5.949 -9.641 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.706 -8.083 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.315 -8.988 0.299 1.00 0.00 H new ATOM 110 N VAL A 10 4.680 -6.875 1.336 1.00 0.00 N ATOM 111 CA VAL A 10 3.848 -5.692 1.195 1.00 0.00 C ATOM 112 C VAL A 10 4.555 -4.496 1.837 1.00 0.00 C ATOM 113 O VAL A 10 4.398 -3.362 1.387 1.00 0.00 O ATOM 114 CB VAL A 10 2.460 -5.953 1.784 1.00 0.00 C ATOM 115 CG1 VAL A 10 2.360 -5.409 3.211 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.366 -5.362 0.894 1.00 0.00 C ATOM 0 H VAL A 10 4.260 -7.629 1.880 1.00 0.00 H new ATOM 0 HA VAL A 10 3.699 -5.455 0.142 1.00 0.00 H new ATOM 0 HB VAL A 10 2.311 -7.032 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.364 -5.607 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.104 -5.898 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.540 -4.334 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.390 -5.562 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.511 -4.285 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.416 -5.817 -0.095 1.00 0.00 H new ATOM 126 N LEU A 11 5.319 -4.791 2.878 1.00 0.00 N ATOM 127 CA LEU A 11 6.051 -3.754 3.587 1.00 0.00 C ATOM 128 C LEU A 11 7.332 -3.424 2.819 1.00 0.00 C ATOM 129 O LEU A 11 7.723 -2.262 2.728 1.00 0.00 O ATOM 130 CB LEU A 11 6.295 -4.169 5.039 1.00 0.00 C ATOM 131 CG LEU A 11 6.332 -3.034 6.064 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.203 -2.032 5.812 1.00 0.00 C ATOM 133 CD2 LEU A 11 6.302 -3.582 7.492 1.00 0.00 C ATOM 0 H LEU A 11 5.447 -5.733 3.248 1.00 0.00 H new ATOM 0 HA LEU A 11 5.463 -2.838 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.514 -4.871 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.242 -4.707 5.088 1.00 0.00 H new ATOM 0 HG LEU A 11 7.273 -2.497 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.251 -1.235 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.311 -1.606 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.242 -2.540 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.329 -2.754 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.389 -4.158 7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.167 -4.226 7.653 1.00 0.00 H new ATOM 145 N ASP A 12 7.948 -4.467 2.284 1.00 0.00 N ATOM 146 CA ASP A 12 9.177 -4.302 1.525 1.00 0.00 C ATOM 147 C ASP A 12 8.876 -3.536 0.235 1.00 0.00 C ATOM 148 O ASP A 12 9.762 -2.900 -0.334 1.00 0.00 O ATOM 149 CB ASP A 12 9.774 -5.657 1.141 1.00 0.00 C ATOM 150 CG ASP A 12 11.302 -5.705 1.110 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.902 -5.417 2.169 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.838 -6.028 0.027 1.00 0.00 O ATOM 0 H ASP A 12 7.620 -5.430 2.361 1.00 0.00 H new ATOM 0 HA ASP A 12 9.887 -3.759 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.416 -6.408 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.397 -5.938 0.158 1.00 0.00 H new ATOM 157 N ILE A 13 7.624 -3.622 -0.187 1.00 0.00 N ATOM 158 CA ILE A 13 7.194 -2.945 -1.399 1.00 0.00 C ATOM 159 C ILE A 13 6.625 -1.571 -1.037 1.00 0.00 C ATOM 160 O ILE A 13 6.431 -0.727 -1.908 1.00 0.00 O ATOM 161 CB ILE A 13 6.224 -3.824 -2.190 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.978 -4.742 -3.155 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.174 -2.974 -2.909 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.515 -6.192 -3.006 1.00 0.00 C ATOM 0 H ILE A 13 6.893 -4.150 0.289 1.00 0.00 H new ATOM 0 HA ILE A 13 8.043 -2.774 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 13 5.692 -4.464 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.817 -4.409 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.049 -4.677 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.497 -3.624 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.607 -2.400 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.669 -2.292 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.066 -6.823 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.699 -6.530 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.449 -6.258 -3.223 1.00 0.00 H new ATOM 176 N LEU A 14 6.372 -1.392 0.252 1.00 0.00 N ATOM 177 CA LEU A 14 5.828 -0.137 0.741 1.00 0.00 C ATOM 178 C LEU A 14 6.975 0.836 1.022 1.00 0.00 C ATOM 179 O LEU A 14 6.932 1.991 0.602 1.00 0.00 O ATOM 180 CB LEU A 14 4.918 -0.381 1.946 1.00 0.00 C ATOM 181 CG LEU A 14 3.472 -0.766 1.627 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.849 -1.555 2.780 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.643 0.467 1.262 1.00 0.00 C ATOM 0 H LEU A 14 6.534 -2.096 0.972 1.00 0.00 H new ATOM 0 HA LEU A 14 5.196 0.326 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.358 -1.171 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.907 0.522 2.556 1.00 0.00 H new ATOM 0 HG LEU A 14 3.477 -1.419 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.821 -1.817 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.424 -2.465 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.857 -0.946 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.620 0.165 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.642 1.165 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.076 0.951 0.387 1.00 0.00 H new ATOM 195 N ALA A 15 7.975 0.332 1.732 1.00 0.00 N ATOM 196 CA ALA A 15 9.132 1.142 2.075 1.00 0.00 C ATOM 197 C ALA A 15 9.926 1.451 0.805 1.00 0.00 C ATOM 198 O ALA A 15 10.577 2.492 0.715 1.00 0.00 O ATOM 199 CB ALA A 15 9.971 0.413 3.126 1.00 0.00 C ATOM 0 H ALA A 15 8.008 -0.627 2.079 1.00 0.00 H new ATOM 0 HA ALA A 15 8.822 2.093 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.839 1.020 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.369 0.243 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.304 -0.545 2.726 1.00 0.00 H new ATOM 205 N ASP A 16 9.847 0.530 -0.144 1.00 0.00 N ATOM 206 CA ASP A 16 10.552 0.692 -1.404 1.00 0.00 C ATOM 207 C ASP A 16 9.823 1.730 -2.261 1.00 0.00 C ATOM 208 O ASP A 16 10.453 2.473 -3.012 1.00 0.00 O ATOM 209 CB ASP A 16 10.591 -0.623 -2.187 1.00 0.00 C ATOM 210 CG ASP A 16 11.922 -1.373 -2.122 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.870 -0.905 -2.789 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.962 -2.398 -1.408 1.00 0.00 O ATOM 0 H ASP A 16 9.306 -0.331 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 16 11.571 1.010 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.804 -1.276 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.359 -0.414 -3.231 1.00 0.00 H new ATOM 217 N LEU A 17 8.506 1.748 -2.120 1.00 0.00 N ATOM 218 CA LEU A 17 7.685 2.681 -2.872 1.00 0.00 C ATOM 219 C LEU A 17 8.021 4.110 -2.440 1.00 0.00 C ATOM 220 O LEU A 17 8.382 4.944 -3.269 1.00 0.00 O ATOM 221 CB LEU A 17 6.203 2.328 -2.728 1.00 0.00 C ATOM 222 CG LEU A 17 5.441 2.090 -4.034 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.518 0.621 -4.453 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.997 2.580 -3.923 1.00 0.00 C ATOM 0 H LEU A 17 7.987 1.131 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 17 7.904 2.608 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.121 1.431 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.709 3.133 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 17 5.919 2.674 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.969 0.479 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.560 0.339 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.080 -0.003 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.478 2.399 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.491 2.043 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.991 3.648 -3.705 1.00 0.00 H new ATOM 236 N THR A 18 7.889 4.349 -1.143 1.00 0.00 N ATOM 237 CA THR A 18 8.174 5.662 -0.591 1.00 0.00 C ATOM 238 C THR A 18 9.645 6.025 -0.807 1.00 0.00 C ATOM 239 O THR A 18 9.985 7.198 -0.945 1.00 0.00 O ATOM 240 CB THR A 18 7.760 5.656 0.882 1.00 0.00 C ATOM 241 OG1 THR A 18 8.699 4.784 1.503 1.00 0.00 O ATOM 242 CG2 THR A 18 6.410 4.972 1.107 1.00 0.00 C ATOM 0 H THR A 18 7.588 3.655 -0.459 1.00 0.00 H new ATOM 0 HA THR A 18 7.603 6.437 -1.101 1.00 0.00 H new ATOM 0 HB THR A 18 7.714 6.681 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.505 4.723 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.163 4.995 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.638 5.496 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.466 3.937 0.770 1.00 0.00 H new ATOM 250 N GLY A 19 10.477 4.994 -0.831 1.00 0.00 N ATOM 251 CA GLY A 19 11.904 5.189 -1.028 1.00 0.00 C ATOM 252 C GLY A 19 12.620 5.387 0.310 1.00 0.00 C ATOM 253 O GLY A 19 13.813 5.685 0.340 1.00 0.00 O ATOM 0 H GLY A 19 10.191 4.022 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.325 4.327 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.071 6.057 -1.666 1.00 0.00 H new ATOM 257 N SER A 20 11.861 5.212 1.382 1.00 0.00 N ATOM 258 CA SER A 20 12.409 5.369 2.719 1.00 0.00 C ATOM 259 C SER A 20 11.786 4.337 3.663 1.00 0.00 C ATOM 260 O SER A 20 10.899 3.583 3.266 1.00 0.00 O ATOM 261 CB SER A 20 12.172 6.784 3.249 1.00 0.00 C ATOM 262 OG SER A 20 13.186 7.187 4.165 1.00 0.00 O ATOM 0 H SER A 20 10.872 4.963 1.352 1.00 0.00 H new ATOM 0 HA SER A 20 13.485 5.205 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.139 7.483 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.200 6.829 3.741 1.00 0.00 H new ATOM 0 HG SER A 20 13.000 8.096 4.480 1.00 0.00 H new ATOM 268 N ASP A 21 12.276 4.339 4.894 1.00 0.00 N ATOM 269 CA ASP A 21 11.779 3.412 5.897 1.00 0.00 C ATOM 270 C ASP A 21 10.966 4.184 6.938 1.00 0.00 C ATOM 271 O ASP A 21 11.461 4.475 8.027 1.00 0.00 O ATOM 272 CB ASP A 21 12.932 2.714 6.621 1.00 0.00 C ATOM 273 CG ASP A 21 13.164 1.257 6.212 1.00 0.00 C ATOM 274 OD1 ASP A 21 12.150 0.542 6.063 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.349 0.893 6.059 1.00 0.00 O ATOM 0 H ASP A 21 13.011 4.967 5.219 1.00 0.00 H new ATOM 0 HA ASP A 21 11.165 2.666 5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.848 3.277 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.742 2.749 7.694 1.00 0.00 H new ATOM 280 N ASP A 22 9.731 4.492 6.568 1.00 0.00 N ATOM 281 CA ASP A 22 8.845 5.224 7.457 1.00 0.00 C ATOM 282 C ASP A 22 7.532 4.454 7.608 1.00 0.00 C ATOM 283 O ASP A 22 7.011 4.318 8.714 1.00 0.00 O ATOM 284 CB ASP A 22 8.519 6.608 6.892 1.00 0.00 C ATOM 285 CG ASP A 22 8.555 7.749 7.912 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.180 7.483 9.074 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.958 8.860 7.506 1.00 0.00 O ATOM 0 H ASP A 22 9.324 4.248 5.665 1.00 0.00 H new ATOM 0 HA ASP A 22 9.348 5.336 8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.225 6.833 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.527 6.575 6.441 1.00 0.00 H new ATOM 292 N VAL A 23 7.033 3.971 6.480 1.00 0.00 N ATOM 293 CA VAL A 23 5.791 3.217 6.473 1.00 0.00 C ATOM 294 C VAL A 23 6.059 1.795 6.968 1.00 0.00 C ATOM 295 O VAL A 23 5.125 1.045 7.248 1.00 0.00 O ATOM 296 CB VAL A 23 5.163 3.256 5.079 1.00 0.00 C ATOM 297 CG1 VAL A 23 4.978 4.697 4.600 1.00 0.00 C ATOM 298 CG2 VAL A 23 5.997 2.450 4.080 1.00 0.00 C ATOM 0 H VAL A 23 7.466 4.087 5.564 1.00 0.00 H new ATOM 0 HA VAL A 23 5.068 3.667 7.153 1.00 0.00 H new ATOM 0 HB VAL A 23 4.177 2.795 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.530 4.695 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.325 5.229 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.947 5.194 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.529 2.494 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.002 2.869 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.055 1.412 4.408 1.00 0.00 H new ATOM 308 N LYS A 24 7.340 1.466 7.062 1.00 0.00 N ATOM 309 CA LYS A 24 7.742 0.148 7.519 1.00 0.00 C ATOM 310 C LYS A 24 7.451 0.020 9.016 1.00 0.00 C ATOM 311 O LYS A 24 7.069 -1.050 9.489 1.00 0.00 O ATOM 312 CB LYS A 24 9.202 -0.125 7.152 1.00 0.00 C ATOM 313 CG LYS A 24 9.673 -1.461 7.729 1.00 0.00 C ATOM 314 CD LYS A 24 10.433 -1.253 9.041 1.00 0.00 C ATOM 315 CE LYS A 24 10.610 -2.578 9.787 1.00 0.00 C ATOM 316 NZ LYS A 24 10.438 -2.379 11.243 1.00 0.00 N ATOM 0 H LYS A 24 8.112 2.090 6.829 1.00 0.00 H new ATOM 0 HA LYS A 24 7.160 -0.623 7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.312 -0.134 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.832 0.680 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.814 -2.110 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.316 -1.966 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.409 -0.814 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.893 -0.546 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.884 -3.306 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.600 -2.987 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.561 -3.287 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.147 -1.700 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.485 -2.009 11.433 1.00 0.00 H new ATOM 330 N LYS A 25 7.642 1.126 9.720 1.00 0.00 N ATOM 331 CA LYS A 25 7.403 1.151 11.153 1.00 0.00 C ATOM 332 C LYS A 25 5.989 1.667 11.421 1.00 0.00 C ATOM 333 O LYS A 25 5.260 1.097 12.232 1.00 0.00 O ATOM 334 CB LYS A 25 8.496 1.953 11.863 1.00 0.00 C ATOM 335 CG LYS A 25 8.403 3.440 11.508 1.00 0.00 C ATOM 336 CD LYS A 25 7.402 4.158 12.416 1.00 0.00 C ATOM 337 CE LYS A 25 8.070 5.319 13.156 1.00 0.00 C ATOM 338 NZ LYS A 25 7.433 5.526 14.476 1.00 0.00 N ATOM 0 H LYS A 25 7.959 2.011 9.325 1.00 0.00 H new ATOM 0 HA LYS A 25 7.458 0.144 11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.403 1.826 12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.476 1.568 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.385 3.903 11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.100 3.551 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.569 4.532 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.988 3.453 13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.132 5.112 13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.993 6.229 12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.898 6.317 14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.425 5.744 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.528 4.662 15.047 1.00 0.00 H new ATOM 352 N ASN A 26 5.642 2.740 10.726 1.00 0.00 N ATOM 353 CA ASN A 26 4.327 3.339 10.879 1.00 0.00 C ATOM 354 C ASN A 26 3.290 2.472 10.163 1.00 0.00 C ATOM 355 O ASN A 26 3.598 1.835 9.157 1.00 0.00 O ATOM 356 CB ASN A 26 4.283 4.737 10.261 1.00 0.00 C ATOM 357 CG ASN A 26 3.868 5.783 11.298 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.544 6.018 12.287 1.00 0.00 O ATOM 359 ND2 ASN A 26 2.722 6.396 11.020 1.00 0.00 N ATOM 0 H ASN A 26 6.249 3.211 10.055 1.00 0.00 H new ATOM 0 HA ASN A 26 4.111 3.410 11.945 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.263 4.990 9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.581 4.748 9.427 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.359 7.110 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.205 6.152 10.175 1.00 0.00 H new ATOM 366 N LEU A 27 2.083 2.476 10.709 1.00 0.00 N ATOM 367 CA LEU A 27 0.999 1.698 10.135 1.00 0.00 C ATOM 368 C LEU A 27 -0.202 2.612 9.886 1.00 0.00 C ATOM 369 O LEU A 27 -1.345 2.155 9.883 1.00 0.00 O ATOM 370 CB LEU A 27 0.680 0.490 11.018 1.00 0.00 C ATOM 371 CG LEU A 27 1.855 -0.437 11.335 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.682 -1.089 12.709 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.049 -1.475 10.229 1.00 0.00 C ATOM 0 H LEU A 27 1.832 3.006 11.543 1.00 0.00 H new ATOM 0 HA LEU A 27 1.294 1.288 9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.264 0.852 11.958 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.099 -0.096 10.530 1.00 0.00 H new ATOM 0 HG LEU A 27 2.764 0.164 11.375 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.530 -1.743 12.911 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.630 -0.315 13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.762 -1.674 12.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.891 -2.121 10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.146 -2.077 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.249 -0.968 9.285 1.00 0.00 H new ATOM 385 N ASP A 28 0.096 3.887 9.683 1.00 0.00 N ATOM 386 CA ASP A 28 -0.945 4.869 9.435 1.00 0.00 C ATOM 387 C ASP A 28 -0.310 6.158 8.906 1.00 0.00 C ATOM 388 O ASP A 28 -0.825 7.249 9.141 1.00 0.00 O ATOM 389 CB ASP A 28 -1.702 5.208 10.720 1.00 0.00 C ATOM 390 CG ASP A 28 -3.213 4.972 10.663 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.905 5.857 10.114 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.641 3.912 11.169 1.00 0.00 O ATOM 0 H ASP A 28 1.044 4.262 9.685 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.639 4.446 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.287 4.615 11.535 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.522 6.255 10.964 1.00 0.00 H new ATOM 397 N LEU A 29 0.800 5.987 8.204 1.00 0.00 N ATOM 398 CA LEU A 29 1.511 7.122 7.641 1.00 0.00 C ATOM 399 C LEU A 29 0.936 7.445 6.260 1.00 0.00 C ATOM 400 O LEU A 29 1.297 6.813 5.270 1.00 0.00 O ATOM 401 CB LEU A 29 3.018 6.859 7.632 1.00 0.00 C ATOM 402 CG LEU A 29 3.902 8.036 7.212 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.127 8.998 8.380 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.222 7.544 6.613 1.00 0.00 C ATOM 0 H LEU A 29 1.225 5.080 8.012 1.00 0.00 H new ATOM 0 HA LEU A 29 1.368 8.007 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.318 6.544 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.217 6.023 6.961 1.00 0.00 H new ATOM 0 HG LEU A 29 3.381 8.592 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.758 9.825 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.168 9.387 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.616 8.469 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.831 8.400 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.759 6.951 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.017 6.930 5.736 1.00 0.00 H new ATOM 416 N ASN A 30 0.049 8.431 6.240 1.00 0.00 N ATOM 417 CA ASN A 30 -0.580 8.846 4.998 1.00 0.00 C ATOM 418 C ASN A 30 0.453 8.803 3.870 1.00 0.00 C ATOM 419 O ASN A 30 1.415 9.569 3.874 1.00 0.00 O ATOM 420 CB ASN A 30 -1.108 10.277 5.100 1.00 0.00 C ATOM 421 CG ASN A 30 -2.638 10.296 5.146 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.299 10.984 4.385 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.161 9.501 6.075 1.00 0.00 N ATOM 0 H ASN A 30 -0.248 8.954 7.064 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.410 8.169 4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.708 10.753 5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.759 10.859 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.173 9.440 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.550 8.952 6.679 1.00 0.00 H new ATOM 430 N LEU A 31 0.217 7.899 2.930 1.00 0.00 N ATOM 431 CA LEU A 31 1.114 7.746 1.798 1.00 0.00 C ATOM 432 C LEU A 31 0.860 8.874 0.795 1.00 0.00 C ATOM 433 O LEU A 31 1.520 8.948 -0.241 1.00 0.00 O ATOM 434 CB LEU A 31 0.983 6.346 1.194 1.00 0.00 C ATOM 435 CG LEU A 31 1.099 5.178 2.176 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.147 4.044 1.793 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.547 4.699 2.289 1.00 0.00 C ATOM 0 H LEU A 31 -0.582 7.265 2.930 1.00 0.00 H new ATOM 0 HA LEU A 31 2.151 7.833 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.018 6.278 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.750 6.229 0.429 1.00 0.00 H new ATOM 0 HG LEU A 31 0.799 5.530 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.249 3.226 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.879 4.411 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.392 3.686 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.602 3.869 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.899 4.370 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.174 5.517 2.643 1.00 0.00 H new ATOM 449 N PHE A 32 -0.095 9.724 1.140 1.00 0.00 N ATOM 450 CA PHE A 32 -0.444 10.845 0.283 1.00 0.00 C ATOM 451 C PHE A 32 -0.123 12.176 0.965 1.00 0.00 C ATOM 452 O PHE A 32 0.612 12.997 0.418 1.00 0.00 O ATOM 453 CB PHE A 32 -1.951 10.764 0.032 1.00 0.00 C ATOM 454 CG PHE A 32 -2.325 10.142 -1.315 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.360 10.914 -2.434 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.621 8.816 -1.393 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.708 10.337 -3.684 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.968 8.240 -2.644 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.004 9.011 -3.762 1.00 0.00 C ATOM 0 H PHE A 32 -0.638 9.660 2.001 1.00 0.00 H new ATOM 0 HA PHE A 32 0.126 10.796 -0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.411 10.181 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.373 11.768 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.123 11.966 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.592 8.202 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.738 10.950 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.204 7.188 -2.707 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.268 8.572 -4.713 1.00 0.00 H new ATOM 469 N GLU A 33 -0.690 12.350 2.149 1.00 0.00 N ATOM 470 CA GLU A 33 -0.475 13.568 2.912 1.00 0.00 C ATOM 471 C GLU A 33 1.002 13.704 3.287 1.00 0.00 C ATOM 472 O GLU A 33 1.452 14.784 3.669 1.00 0.00 O ATOM 473 CB GLU A 33 -1.363 13.600 4.157 1.00 0.00 C ATOM 474 CG GLU A 33 -2.050 14.959 4.305 1.00 0.00 C ATOM 475 CD GLU A 33 -3.507 14.890 3.844 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.725 14.372 2.728 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.371 15.357 4.619 1.00 0.00 O ATOM 0 H GLU A 33 -1.299 11.667 2.600 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.752 14.418 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.115 12.813 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.762 13.394 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.009 15.280 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.515 15.707 3.720 1.00 0.00 H new ATOM 484 N THR A 34 1.716 12.594 3.166 1.00 0.00 N ATOM 485 CA THR A 34 3.132 12.576 3.488 1.00 0.00 C ATOM 486 C THR A 34 3.967 12.881 2.242 1.00 0.00 C ATOM 487 O THR A 34 5.148 13.204 2.346 1.00 0.00 O ATOM 488 CB THR A 34 3.456 11.221 4.120 1.00 0.00 C ATOM 489 OG1 THR A 34 2.577 11.141 5.239 1.00 0.00 O ATOM 490 CG2 THR A 34 4.855 11.183 4.740 1.00 0.00 C ATOM 0 H THR A 34 1.339 11.701 2.849 1.00 0.00 H new ATOM 0 HA THR A 34 3.384 13.355 4.208 1.00 0.00 H new ATOM 0 HB THR A 34 3.373 10.439 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.791 10.607 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.034 10.199 5.174 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.600 11.380 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.929 11.942 5.519 1.00 0.00 H new ATOM 498 N GLY A 35 3.318 12.766 1.092 1.00 0.00 N ATOM 499 CA GLY A 35 3.985 13.025 -0.172 1.00 0.00 C ATOM 500 C GLY A 35 4.781 11.802 -0.633 1.00 0.00 C ATOM 501 O GLY A 35 5.303 11.780 -1.746 1.00 0.00 O ATOM 0 H GLY A 35 2.338 12.497 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.247 13.289 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.653 13.880 -0.066 1.00 0.00 H new ATOM 505 N LEU A 36 4.849 10.814 0.248 1.00 0.00 N ATOM 506 CA LEU A 36 5.572 9.591 -0.054 1.00 0.00 C ATOM 507 C LEU A 36 5.083 9.032 -1.392 1.00 0.00 C ATOM 508 O LEU A 36 5.870 8.493 -2.169 1.00 0.00 O ATOM 509 CB LEU A 36 5.458 8.600 1.105 1.00 0.00 C ATOM 510 CG LEU A 36 6.388 8.850 2.294 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.240 7.749 3.347 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.837 9.010 1.833 1.00 0.00 C ATOM 0 H LEU A 36 4.415 10.836 1.171 1.00 0.00 H new ATOM 0 HA LEU A 36 6.637 9.796 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.429 8.609 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.652 7.598 0.721 1.00 0.00 H new ATOM 0 HG LEU A 36 6.095 9.788 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.912 7.951 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.211 7.726 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.491 6.785 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.477 9.187 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.159 8.102 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.910 9.856 1.149 1.00 0.00 H new ATOM 524 N LEU A 37 3.786 9.179 -1.619 1.00 0.00 N ATOM 525 CA LEU A 37 3.182 8.695 -2.850 1.00 0.00 C ATOM 526 C LEU A 37 2.640 9.882 -3.648 1.00 0.00 C ATOM 527 O LEU A 37 2.475 10.975 -3.108 1.00 0.00 O ATOM 528 CB LEU A 37 2.131 7.627 -2.546 1.00 0.00 C ATOM 529 CG LEU A 37 2.085 6.437 -3.507 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.784 5.137 -2.759 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.090 6.689 -4.642 1.00 0.00 C ATOM 0 H LEU A 37 3.136 9.626 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 37 3.929 8.205 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.307 7.249 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.150 8.102 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 37 3.070 6.325 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.757 4.308 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.562 4.956 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.818 5.220 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.076 5.829 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.094 6.841 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.390 7.577 -5.199 1.00 0.00 H new ATOM 543 N ASP A 38 2.377 9.628 -4.921 1.00 0.00 N ATOM 544 CA ASP A 38 1.856 10.661 -5.799 1.00 0.00 C ATOM 545 C ASP A 38 0.521 10.201 -6.388 1.00 0.00 C ATOM 546 O ASP A 38 -0.515 10.816 -6.142 1.00 0.00 O ATOM 547 CB ASP A 38 2.816 10.933 -6.959 1.00 0.00 C ATOM 548 CG ASP A 38 3.186 12.404 -7.161 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.475 13.253 -6.581 1.00 0.00 O ATOM 550 OD2 ASP A 38 4.171 12.647 -7.891 1.00 0.00 O ATOM 0 H ASP A 38 2.515 8.721 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 38 1.732 11.571 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.731 10.363 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.367 10.557 -7.878 1.00 0.00 H new ATOM 555 N SER A 39 0.590 9.121 -7.153 1.00 0.00 N ATOM 556 CA SER A 39 -0.600 8.570 -7.779 1.00 0.00 C ATOM 557 C SER A 39 -0.232 7.343 -8.615 1.00 0.00 C ATOM 558 O SER A 39 -0.910 6.319 -8.553 1.00 0.00 O ATOM 559 CB SER A 39 -1.298 9.616 -8.651 1.00 0.00 C ATOM 560 OG SER A 39 -0.470 10.055 -9.725 1.00 0.00 O ATOM 0 H SER A 39 1.451 8.613 -7.353 1.00 0.00 H new ATOM 0 HA SER A 39 -1.292 8.271 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.220 9.196 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.578 10.471 -8.036 1.00 0.00 H new ATOM 0 HG SER A 39 -0.952 10.721 -10.259 1.00 0.00 H new ATOM 566 N MET A 40 0.842 7.486 -9.378 1.00 0.00 N ATOM 567 CA MET A 40 1.309 6.402 -10.224 1.00 0.00 C ATOM 568 C MET A 40 1.872 5.254 -9.385 1.00 0.00 C ATOM 569 O MET A 40 1.779 4.091 -9.774 1.00 0.00 O ATOM 570 CB MET A 40 2.393 6.923 -11.170 1.00 0.00 C ATOM 571 CG MET A 40 2.100 6.519 -12.616 1.00 0.00 C ATOM 572 SD MET A 40 1.155 7.797 -13.428 1.00 0.00 S ATOM 573 CE MET A 40 -0.452 7.021 -13.458 1.00 0.00 C ATOM 0 H MET A 40 1.402 8.337 -9.428 1.00 0.00 H new ATOM 0 HA MET A 40 0.463 6.025 -10.799 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.453 8.009 -11.097 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.364 6.529 -10.868 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.034 6.350 -13.151 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.548 5.579 -12.635 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.120 7.593 -14.101 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.359 6.006 -13.843 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.860 6.989 -12.448 1.00 0.00 H new ATOM 583 N GLY A 41 2.446 5.621 -8.248 1.00 0.00 N ATOM 584 CA GLY A 41 3.025 4.636 -7.350 1.00 0.00 C ATOM 585 C GLY A 41 1.985 3.593 -6.937 1.00 0.00 C ATOM 586 O GLY A 41 2.252 2.393 -6.985 1.00 0.00 O ATOM 0 H GLY A 41 2.522 6.587 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.866 4.143 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.418 5.134 -6.464 1.00 0.00 H new ATOM 590 N THR A 42 0.822 4.088 -6.539 1.00 0.00 N ATOM 591 CA THR A 42 -0.260 3.214 -6.119 1.00 0.00 C ATOM 592 C THR A 42 -0.471 2.096 -7.142 1.00 0.00 C ATOM 593 O THR A 42 -0.562 0.925 -6.777 1.00 0.00 O ATOM 594 CB THR A 42 -1.503 4.075 -5.893 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.709 4.027 -4.484 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.768 3.442 -6.476 1.00 0.00 C ATOM 0 H THR A 42 0.605 5.084 -6.499 1.00 0.00 H new ATOM 0 HA THR A 42 -0.021 2.712 -5.182 1.00 0.00 H new ATOM 0 HB THR A 42 -1.349 5.057 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.496 4.562 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.621 4.094 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.645 3.306 -7.550 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.941 2.474 -6.005 1.00 0.00 H new ATOM 604 N VAL A 43 -0.543 2.498 -8.402 1.00 0.00 N ATOM 605 CA VAL A 43 -0.742 1.544 -9.481 1.00 0.00 C ATOM 606 C VAL A 43 0.321 0.448 -9.389 1.00 0.00 C ATOM 607 O VAL A 43 -0.001 -0.718 -9.166 1.00 0.00 O ATOM 608 CB VAL A 43 -0.738 2.270 -10.828 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.582 1.280 -11.984 1.00 0.00 C ATOM 610 CG2 VAL A 43 -2.001 3.117 -10.998 1.00 0.00 C ATOM 0 H VAL A 43 -0.467 3.470 -8.700 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.715 1.061 -9.390 1.00 0.00 H new ATOM 0 HB VAL A 43 0.120 2.942 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.582 1.822 -12.930 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.358 0.740 -11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.411 0.572 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.973 3.622 -11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.880 2.474 -10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.051 3.859 -10.201 1.00 0.00 H new ATOM 620 N GLN A 44 1.568 0.860 -9.566 1.00 0.00 N ATOM 621 CA GLN A 44 2.680 -0.072 -9.507 1.00 0.00 C ATOM 622 C GLN A 44 2.510 -1.027 -8.324 1.00 0.00 C ATOM 623 O GLN A 44 2.462 -2.244 -8.506 1.00 0.00 O ATOM 624 CB GLN A 44 4.016 0.671 -9.423 1.00 0.00 C ATOM 625 CG GLN A 44 5.189 -0.310 -9.404 1.00 0.00 C ATOM 626 CD GLN A 44 6.442 0.322 -10.014 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.736 0.169 -11.188 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.160 1.039 -9.154 1.00 0.00 N ATOM 0 H GLN A 44 1.832 1.828 -9.750 1.00 0.00 H new ATOM 0 HA GLN A 44 2.685 -0.659 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.115 1.345 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.038 1.287 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.395 -0.617 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.924 -1.210 -9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.856 1.126 -8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.014 1.502 -9.464 1.00 0.00 H new ATOM 637 N LEU A 45 2.422 -0.442 -7.139 1.00 0.00 N ATOM 638 CA LEU A 45 2.258 -1.225 -5.927 1.00 0.00 C ATOM 639 C LEU A 45 1.128 -2.237 -6.129 1.00 0.00 C ATOM 640 O LEU A 45 1.269 -3.409 -5.782 1.00 0.00 O ATOM 641 CB LEU A 45 2.054 -0.309 -4.719 1.00 0.00 C ATOM 642 CG LEU A 45 0.729 -0.469 -3.972 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.757 -1.697 -3.061 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.375 0.807 -3.205 1.00 0.00 C ATOM 0 H LEU A 45 2.461 0.567 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 45 3.164 -1.794 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.868 -0.482 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.137 0.725 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.060 -0.632 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.197 -1.787 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.930 -2.591 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.559 -1.590 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.571 0.667 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.160 1.026 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.284 1.638 -3.904 1.00 0.00 H new ATOM 656 N LEU A 46 0.031 -1.748 -6.689 1.00 0.00 N ATOM 657 CA LEU A 46 -1.122 -2.594 -6.941 1.00 0.00 C ATOM 658 C LEU A 46 -0.732 -3.703 -7.920 1.00 0.00 C ATOM 659 O LEU A 46 -1.327 -4.778 -7.916 1.00 0.00 O ATOM 660 CB LEU A 46 -2.312 -1.753 -7.407 1.00 0.00 C ATOM 661 CG LEU A 46 -2.843 -2.061 -8.809 1.00 0.00 C ATOM 662 CD1 LEU A 46 -3.585 -3.398 -8.832 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.711 -0.914 -9.330 1.00 0.00 C ATOM 0 H LEU A 46 -0.083 -0.776 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.446 -3.080 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.126 -1.885 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.025 -0.702 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.993 -2.153 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.952 -3.593 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.906 -4.196 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.427 -3.359 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.076 -1.158 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.558 -0.766 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.118 -0.000 -9.374 1.00 0.00 H new ATOM 675 N LEU A 47 0.268 -3.402 -8.737 1.00 0.00 N ATOM 676 CA LEU A 47 0.745 -4.360 -9.720 1.00 0.00 C ATOM 677 C LEU A 47 1.475 -5.498 -9.004 1.00 0.00 C ATOM 678 O LEU A 47 1.359 -6.658 -9.395 1.00 0.00 O ATOM 679 CB LEU A 47 1.592 -3.659 -10.784 1.00 0.00 C ATOM 680 CG LEU A 47 1.258 -3.999 -12.238 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.692 -5.426 -12.580 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.225 -3.765 -12.529 1.00 0.00 C ATOM 0 H LEU A 47 0.760 -2.509 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.093 -4.806 -10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.489 -2.582 -10.651 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.639 -3.904 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 47 1.822 -3.327 -12.885 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.443 -5.643 -13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.768 -5.523 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.174 -6.130 -11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.435 -4.014 -13.569 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.828 -4.396 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.470 -2.718 -12.350 1.00 0.00 H new ATOM 694 N GLU A 48 2.211 -5.126 -7.967 1.00 0.00 N ATOM 695 CA GLU A 48 2.961 -6.101 -7.193 1.00 0.00 C ATOM 696 C GLU A 48 2.027 -6.859 -6.247 1.00 0.00 C ATOM 697 O GLU A 48 2.319 -7.987 -5.853 1.00 0.00 O ATOM 698 CB GLU A 48 4.098 -5.430 -6.419 1.00 0.00 C ATOM 699 CG GLU A 48 5.453 -6.021 -6.815 1.00 0.00 C ATOM 700 CD GLU A 48 5.702 -5.863 -8.316 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.022 -4.724 -8.722 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.568 -6.884 -9.024 1.00 0.00 O ATOM 0 H GLU A 48 2.304 -4.163 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 48 3.408 -6.817 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.093 -4.358 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.940 -5.559 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.247 -5.525 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.486 -7.077 -6.546 1.00 0.00 H new ATOM 709 N LEU A 49 0.922 -6.209 -5.911 1.00 0.00 N ATOM 710 CA LEU A 49 -0.056 -6.807 -5.019 1.00 0.00 C ATOM 711 C LEU A 49 -0.974 -7.731 -5.822 1.00 0.00 C ATOM 712 O LEU A 49 -1.480 -8.720 -5.295 1.00 0.00 O ATOM 713 CB LEU A 49 -0.804 -5.724 -4.240 1.00 0.00 C ATOM 714 CG LEU A 49 0.064 -4.765 -3.422 1.00 0.00 C ATOM 715 CD1 LEU A 49 -0.595 -4.436 -2.082 1.00 0.00 C ATOM 716 CD2 LEU A 49 1.478 -5.323 -3.244 1.00 0.00 C ATOM 0 H LEU A 49 0.683 -5.274 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 49 0.440 -7.422 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.392 -5.138 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.508 -6.211 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 49 0.154 -3.830 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.043 -3.753 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.563 -3.967 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.735 -5.354 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.075 -4.623 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.429 -6.280 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.939 -5.464 -4.222 1.00 0.00 H new ATOM 728 N GLN A 50 -1.160 -7.376 -7.085 1.00 0.00 N ATOM 729 CA GLN A 50 -2.008 -8.161 -7.967 1.00 0.00 C ATOM 730 C GLN A 50 -1.192 -9.263 -8.646 1.00 0.00 C ATOM 731 O GLN A 50 -1.662 -9.894 -9.590 1.00 0.00 O ATOM 732 CB GLN A 50 -2.695 -7.270 -9.003 1.00 0.00 C ATOM 733 CG GLN A 50 -3.841 -8.013 -9.692 1.00 0.00 C ATOM 734 CD GLN A 50 -3.913 -7.653 -11.177 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.922 -7.344 -11.818 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.140 -7.709 -11.688 1.00 0.00 N ATOM 0 H GLN A 50 -0.738 -6.555 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.787 -8.631 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.078 -6.372 -8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.968 -6.945 -9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.701 -9.088 -9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.785 -7.763 -9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.927 -7.975 -11.096 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.294 -7.486 -12.671 1.00 0.00 H new ATOM 745 N SER A 51 0.016 -9.458 -8.138 1.00 0.00 N ATOM 746 CA SER A 51 0.902 -10.473 -8.683 1.00 0.00 C ATOM 747 C SER A 51 1.289 -11.472 -7.592 1.00 0.00 C ATOM 748 O SER A 51 1.166 -12.681 -7.781 1.00 0.00 O ATOM 749 CB SER A 51 2.155 -9.840 -9.292 1.00 0.00 C ATOM 750 OG SER A 51 2.595 -10.537 -10.454 1.00 0.00 O ATOM 0 H SER A 51 0.402 -8.931 -7.355 1.00 0.00 H new ATOM 0 HA SER A 51 0.371 -11.000 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.948 -8.801 -9.549 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.954 -9.831 -8.550 1.00 0.00 H new ATOM 0 HG SER A 51 3.396 -10.101 -10.814 1.00 0.00 H new ATOM 756 N GLN A 52 1.748 -10.929 -6.473 1.00 0.00 N ATOM 757 CA GLN A 52 2.152 -11.759 -5.352 1.00 0.00 C ATOM 758 C GLN A 52 0.954 -12.049 -4.445 1.00 0.00 C ATOM 759 O GLN A 52 0.865 -13.123 -3.853 1.00 0.00 O ATOM 760 CB GLN A 52 3.287 -11.100 -4.565 1.00 0.00 C ATOM 761 CG GLN A 52 4.413 -10.651 -5.498 1.00 0.00 C ATOM 762 CD GLN A 52 5.618 -11.589 -5.396 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.551 -12.765 -5.713 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.721 -11.005 -4.936 1.00 0.00 N ATOM 0 H GLN A 52 1.849 -9.926 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 52 2.524 -12.706 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.902 -10.242 -4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.678 -11.801 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.051 -10.629 -6.526 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.716 -9.635 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.709 -10.016 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.579 -11.547 -4.831 1.00 0.00 H new ATOM 773 N PHE A 53 0.062 -11.071 -4.367 1.00 0.00 N ATOM 774 CA PHE A 53 -1.127 -11.208 -3.542 1.00 0.00 C ATOM 775 C PHE A 53 -2.389 -11.255 -4.405 1.00 0.00 C ATOM 776 O PHE A 53 -3.489 -11.453 -3.893 1.00 0.00 O ATOM 777 CB PHE A 53 -1.188 -9.977 -2.637 1.00 0.00 C ATOM 778 CG PHE A 53 0.165 -9.567 -2.051 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.130 -10.503 -1.852 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.400 -8.266 -1.729 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.386 -10.123 -1.308 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.656 -7.886 -1.185 1.00 0.00 C ATOM 783 CZ PHE A 53 2.622 -8.822 -0.986 1.00 0.00 C ATOM 0 H PHE A 53 0.139 -10.182 -4.861 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.077 -12.133 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.594 -9.141 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.882 -10.174 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.942 -11.535 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.368 -7.523 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.153 -10.866 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.844 -6.854 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.577 -8.533 -0.572 1.00 0.00 H new ATOM 793 N GLY A 54 -2.188 -11.071 -5.702 1.00 0.00 N ATOM 794 CA GLY A 54 -3.296 -11.089 -6.642 1.00 0.00 C ATOM 795 C GLY A 54 -4.507 -10.346 -6.075 1.00 0.00 C ATOM 796 O GLY A 54 -5.637 -10.823 -6.177 1.00 0.00 O ATOM 0 H GLY A 54 -1.274 -10.909 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.989 -10.628 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.570 -12.120 -6.867 1.00 0.00 H new ATOM 800 N VAL A 55 -4.232 -9.189 -5.491 1.00 0.00 N ATOM 801 CA VAL A 55 -5.284 -8.375 -4.908 1.00 0.00 C ATOM 802 C VAL A 55 -6.177 -7.829 -6.025 1.00 0.00 C ATOM 803 O VAL A 55 -5.756 -7.747 -7.177 1.00 0.00 O ATOM 804 CB VAL A 55 -4.675 -7.275 -4.038 1.00 0.00 C ATOM 805 CG1 VAL A 55 -3.976 -6.220 -4.898 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.735 -6.634 -3.140 1.00 0.00 C ATOM 0 H VAL A 55 -3.294 -8.796 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.913 -8.977 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.925 -7.735 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.552 -5.449 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.180 -6.690 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.698 -5.768 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.274 -5.855 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.519 -6.196 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.168 -7.394 -2.489 1.00 0.00 H new ATOM 816 N ASP A 56 -7.394 -7.469 -5.644 1.00 0.00 N ATOM 817 CA ASP A 56 -8.350 -6.933 -6.597 1.00 0.00 C ATOM 818 C ASP A 56 -8.305 -5.405 -6.553 1.00 0.00 C ATOM 819 O ASP A 56 -9.344 -4.747 -6.605 1.00 0.00 O ATOM 820 CB ASP A 56 -9.775 -7.374 -6.257 1.00 0.00 C ATOM 821 CG ASP A 56 -10.210 -8.699 -6.888 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.397 -9.647 -6.832 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.345 -8.733 -7.410 1.00 0.00 O ATOM 0 H ASP A 56 -7.740 -7.538 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.084 -7.306 -7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.865 -7.458 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.466 -6.593 -6.574 1.00 0.00 H new ATOM 828 N ALA A 57 -7.090 -4.883 -6.458 1.00 0.00 N ATOM 829 CA ALA A 57 -6.896 -3.443 -6.407 1.00 0.00 C ATOM 830 C ALA A 57 -7.488 -2.808 -7.666 1.00 0.00 C ATOM 831 O ALA A 57 -6.955 -2.981 -8.761 1.00 0.00 O ATOM 832 CB ALA A 57 -5.407 -3.134 -6.241 1.00 0.00 C ATOM 0 H ALA A 57 -6.231 -5.431 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.414 -3.016 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.261 -2.054 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.043 -3.582 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.854 -3.545 -7.085 1.00 0.00 H new ATOM 838 N PRO A 58 -8.609 -2.066 -7.464 1.00 0.00 N ATOM 839 CA PRO A 58 -9.278 -1.403 -8.570 1.00 0.00 C ATOM 840 C PRO A 58 -8.499 -0.166 -9.022 1.00 0.00 C ATOM 841 O PRO A 58 -7.755 0.422 -8.239 1.00 0.00 O ATOM 842 CB PRO A 58 -10.667 -1.073 -8.050 1.00 0.00 C ATOM 843 CG PRO A 58 -10.572 -1.142 -6.535 1.00 0.00 C ATOM 844 CD PRO A 58 -9.268 -1.838 -6.181 1.00 0.00 C ATOM 0 HA PRO A 58 -9.339 -2.030 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.981 -0.082 -8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.404 -1.782 -8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.599 -0.141 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.420 -1.689 -6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.655 -1.220 -5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.450 -2.776 -5.657 1.00 0.00 H new ATOM 852 N VAL A 59 -8.697 0.192 -10.281 1.00 0.00 N ATOM 853 CA VAL A 59 -8.022 1.349 -10.846 1.00 0.00 C ATOM 854 C VAL A 59 -9.064 2.318 -11.407 1.00 0.00 C ATOM 855 O VAL A 59 -8.714 3.355 -11.970 1.00 0.00 O ATOM 856 CB VAL A 59 -7.000 0.900 -11.890 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.855 1.910 -12.008 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.465 -0.498 -11.571 1.00 0.00 C ATOM 0 H VAL A 59 -9.315 -0.298 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.466 1.881 -10.074 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.507 0.853 -12.854 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.142 1.566 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.254 2.880 -12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.352 2.004 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.740 -0.792 -12.330 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.983 -0.489 -10.593 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.290 -1.210 -11.562 1.00 0.00 H new ATOM 868 N SER A 60 -10.324 1.948 -11.234 1.00 0.00 N ATOM 869 CA SER A 60 -11.419 2.771 -11.717 1.00 0.00 C ATOM 870 C SER A 60 -11.891 3.717 -10.610 1.00 0.00 C ATOM 871 O SER A 60 -12.995 3.566 -10.089 1.00 0.00 O ATOM 872 CB SER A 60 -12.583 1.907 -12.208 1.00 0.00 C ATOM 873 OG SER A 60 -12.439 0.545 -11.817 1.00 0.00 O ATOM 0 H SER A 60 -10.611 1.089 -10.766 1.00 0.00 H new ATOM 0 HA SER A 60 -11.058 3.360 -12.560 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.519 2.301 -11.812 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.646 1.967 -13.294 1.00 0.00 H new ATOM 0 HG SER A 60 -13.202 0.027 -12.148 1.00 0.00 H new ATOM 879 N GLU A 61 -11.029 4.670 -10.285 1.00 0.00 N ATOM 880 CA GLU A 61 -11.343 5.640 -9.249 1.00 0.00 C ATOM 881 C GLU A 61 -11.539 4.937 -7.905 1.00 0.00 C ATOM 882 O GLU A 61 -12.565 5.112 -7.251 1.00 0.00 O ATOM 883 CB GLU A 61 -12.580 6.460 -9.623 1.00 0.00 C ATOM 884 CG GLU A 61 -12.796 7.608 -8.634 1.00 0.00 C ATOM 885 CD GLU A 61 -14.243 8.103 -8.677 1.00 0.00 C ATOM 886 OE1 GLU A 61 -15.136 7.238 -8.803 1.00 0.00 O ATOM 887 OE2 GLU A 61 -14.424 9.337 -8.585 1.00 0.00 O ATOM 0 H GLU A 61 -10.114 4.791 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.503 6.329 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.465 6.860 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.459 5.815 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.552 7.275 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.120 8.429 -8.871 1.00 0.00 H new ATOM 894 N PHE A 62 -10.536 4.155 -7.531 1.00 0.00 N ATOM 895 CA PHE A 62 -10.584 3.424 -6.276 1.00 0.00 C ATOM 896 C PHE A 62 -10.689 4.382 -5.089 1.00 0.00 C ATOM 897 O PHE A 62 -10.908 5.578 -5.268 1.00 0.00 O ATOM 898 CB PHE A 62 -9.277 2.636 -6.168 1.00 0.00 C ATOM 899 CG PHE A 62 -8.019 3.487 -6.353 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.670 4.399 -5.406 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.251 3.332 -7.464 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.503 5.189 -5.577 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.084 4.123 -7.636 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.734 5.034 -6.689 1.00 0.00 C ATOM 0 H PHE A 62 -9.685 4.012 -8.075 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.456 2.770 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.236 2.153 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.280 1.843 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.281 4.522 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.528 2.608 -8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.226 5.913 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.474 4.001 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.846 5.634 -6.819 1.00 0.00 H new ATOM 914 N ASP A 63 -10.526 3.819 -3.900 1.00 0.00 N ATOM 915 CA ASP A 63 -10.599 4.608 -2.682 1.00 0.00 C ATOM 916 C ASP A 63 -9.183 4.934 -2.204 1.00 0.00 C ATOM 917 O ASP A 63 -8.524 4.099 -1.588 1.00 0.00 O ATOM 918 CB ASP A 63 -11.308 3.836 -1.568 1.00 0.00 C ATOM 919 CG ASP A 63 -11.480 2.338 -1.827 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.549 1.754 -2.422 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.540 1.811 -1.424 1.00 0.00 O ATOM 0 H ASP A 63 -10.344 2.826 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.158 5.518 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.748 3.967 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.292 4.277 -1.410 1.00 0.00 H new ATOM 926 N ARG A 64 -8.757 6.151 -2.507 1.00 0.00 N ATOM 927 CA ARG A 64 -7.430 6.599 -2.118 1.00 0.00 C ATOM 928 C ARG A 64 -7.253 6.474 -0.603 1.00 0.00 C ATOM 929 O ARG A 64 -6.140 6.266 -0.120 1.00 0.00 O ATOM 930 CB ARG A 64 -7.194 8.051 -2.534 1.00 0.00 C ATOM 931 CG ARG A 64 -6.461 8.126 -3.874 1.00 0.00 C ATOM 932 CD ARG A 64 -6.091 9.571 -4.218 1.00 0.00 C ATOM 933 NE ARG A 64 -5.444 10.217 -3.055 1.00 0.00 N ATOM 934 CZ ARG A 64 -5.318 11.543 -2.906 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.793 12.371 -3.847 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.716 12.042 -1.817 1.00 0.00 N ATOM 0 H ARG A 64 -9.307 6.841 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.703 5.966 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.149 8.571 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.611 8.562 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.559 7.516 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.091 7.711 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.418 9.589 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.985 10.126 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.070 9.616 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.250 11.992 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.697 13.380 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.353 11.412 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.621 13.051 -1.704 1.00 0.00 H new ATOM 950 N LYS A 65 -8.365 6.608 0.105 1.00 0.00 N ATOM 951 CA LYS A 65 -8.346 6.512 1.554 1.00 0.00 C ATOM 952 C LYS A 65 -7.873 5.116 1.963 1.00 0.00 C ATOM 953 O LYS A 65 -7.234 4.952 3.002 1.00 0.00 O ATOM 954 CB LYS A 65 -9.709 6.894 2.134 1.00 0.00 C ATOM 955 CG LYS A 65 -10.840 6.171 1.399 1.00 0.00 C ATOM 956 CD LYS A 65 -11.837 7.170 0.809 1.00 0.00 C ATOM 957 CE LYS A 65 -11.161 8.077 -0.220 1.00 0.00 C ATOM 958 NZ LYS A 65 -12.052 9.200 -0.587 1.00 0.00 N ATOM 0 H LYS A 65 -9.285 6.782 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.636 7.225 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.740 6.643 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.852 7.972 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.425 5.553 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.355 5.501 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.661 6.633 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.265 7.776 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.227 8.464 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.907 7.501 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.577 9.806 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.933 8.826 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.273 9.759 0.262 1.00 0.00 H new ATOM 972 N GLU A 66 -8.205 4.145 1.126 1.00 0.00 N ATOM 973 CA GLU A 66 -7.822 2.768 1.387 1.00 0.00 C ATOM 974 C GLU A 66 -6.396 2.510 0.895 1.00 0.00 C ATOM 975 O GLU A 66 -5.704 1.638 1.416 1.00 0.00 O ATOM 976 CB GLU A 66 -8.809 1.793 0.741 1.00 0.00 C ATOM 977 CG GLU A 66 -8.353 0.345 0.933 1.00 0.00 C ATOM 978 CD GLU A 66 -9.506 -0.630 0.687 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.075 -0.568 -0.425 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.794 -1.416 1.616 1.00 0.00 O ATOM 0 H GLU A 66 -8.735 4.284 0.266 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.849 2.602 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.798 1.928 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.899 2.012 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.533 0.124 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.969 0.212 1.944 1.00 0.00 H new ATOM 987 N TRP A 67 -5.999 3.287 -0.102 1.00 0.00 N ATOM 988 CA TRP A 67 -4.668 3.154 -0.670 1.00 0.00 C ATOM 989 C TRP A 67 -3.833 4.348 -0.201 1.00 0.00 C ATOM 990 O TRP A 67 -2.831 4.692 -0.825 1.00 0.00 O ATOM 991 CB TRP A 67 -4.732 3.031 -2.193 1.00 0.00 C ATOM 992 CG TRP A 67 -5.745 1.999 -2.692 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.977 2.218 -3.173 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.563 0.568 -2.743 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.599 1.038 -3.526 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.712 0.004 -3.256 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.463 -0.221 -2.365 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.873 -1.375 -3.439 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.639 -1.598 -2.554 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.790 -2.182 -3.070 1.00 0.00 C ATOM 0 H TRP A 67 -6.576 4.011 -0.531 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.190 2.237 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.982 4.004 -2.616 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.744 2.765 -2.568 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.426 3.195 -3.272 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.538 0.943 -3.914 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.554 0.201 -1.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.783 -1.793 -3.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.824 -2.251 -2.280 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.849 -3.254 -3.186 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.277 4.946 0.895 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.584 6.093 1.455 1.00 0.00 C ATOM 1013 C ASP A 68 -2.650 5.624 2.572 1.00 0.00 C ATOM 1014 O ASP A 68 -1.554 6.157 2.736 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.572 7.096 2.054 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.024 7.929 3.214 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.961 8.554 3.012 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.681 7.921 4.278 1.00 0.00 O ATOM 0 H ASP A 68 -5.109 4.657 1.410 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.025 6.574 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.903 7.772 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.452 6.554 2.400 1.00 0.00 H new ATOM 1023 N THR A 69 -3.119 4.631 3.313 1.00 0.00 N ATOM 1024 CA THR A 69 -2.340 4.084 4.411 1.00 0.00 C ATOM 1025 C THR A 69 -1.907 2.650 4.095 1.00 0.00 C ATOM 1026 O THR A 69 -2.477 2.005 3.217 1.00 0.00 O ATOM 1027 CB THR A 69 -3.175 4.199 5.687 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.513 3.984 5.247 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.192 5.621 6.250 1.00 0.00 C ATOM 0 H THR A 69 -4.029 4.191 3.175 1.00 0.00 H new ATOM 0 HA THR A 69 -1.417 4.644 4.558 1.00 0.00 H new ATOM 0 HB THR A 69 -2.782 3.516 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.924 4.843 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.799 5.647 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.174 5.931 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.615 6.300 5.510 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.876 2.182 4.848 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.359 0.837 4.657 1.00 0.00 C ATOM 1039 C PRO A 70 -1.310 -0.204 5.251 1.00 0.00 C ATOM 1040 O PRO A 70 -1.446 -1.303 4.716 1.00 0.00 O ATOM 1041 CB PRO A 70 1.007 0.842 5.323 1.00 0.00 C ATOM 1042 CG PRO A 70 1.010 2.039 6.260 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.175 2.919 5.896 1.00 0.00 C ATOM 0 HA PRO A 70 -0.273 0.564 3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.177 -0.084 5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.802 0.924 4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.938 1.712 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.942 2.596 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.820 3.091 6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.152 3.897 5.542 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.945 0.179 6.349 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.879 -0.707 7.022 1.00 0.00 C ATOM 1053 C ASN A 71 -4.093 -0.941 6.120 1.00 0.00 C ATOM 1054 O ASN A 71 -4.452 -2.084 5.842 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.376 -0.093 8.332 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.805 -0.840 9.539 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.643 -2.049 9.533 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.509 -0.056 10.571 1.00 0.00 N ATOM 0 H ASN A 71 -1.831 1.092 6.790 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.361 -1.642 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.086 0.957 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.465 -0.124 8.362 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.121 -0.460 11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.669 0.949 10.510 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.691 0.160 5.688 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.856 0.089 4.824 1.00 0.00 C ATOM 1067 C LYS A 72 -5.543 -0.810 3.626 1.00 0.00 C ATOM 1068 O LYS A 72 -6.416 -1.527 3.138 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.320 1.493 4.433 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.524 1.926 5.274 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.431 3.408 5.642 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.815 4.058 5.652 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.683 3.414 6.663 1.00 0.00 N ATOM 0 H LYS A 72 -4.390 1.106 5.921 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.695 -0.363 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.503 2.201 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.585 1.511 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.444 1.742 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.573 1.325 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.968 3.514 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.788 3.924 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.722 5.122 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.271 3.972 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.547 3.979 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.938 2.458 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.175 3.352 7.568 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.295 -0.743 3.186 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.856 -1.541 2.054 1.00 0.00 C ATOM 1089 C ILE A 73 -3.574 -2.970 2.523 1.00 0.00 C ATOM 1090 O ILE A 73 -4.080 -3.929 1.942 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.666 -0.876 1.358 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.075 0.457 0.728 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -2.029 -1.821 0.338 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.880 1.132 0.051 1.00 0.00 C ATOM 0 H ILE A 73 -3.574 -0.148 3.593 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.643 -1.600 1.302 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.908 -0.658 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.866 0.290 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.483 1.116 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.186 -1.324 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.679 -2.721 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.767 -2.093 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.197 2.077 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.101 1.319 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.489 0.481 -0.731 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.767 -3.067 3.569 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.413 -4.363 4.122 1.00 0.00 C ATOM 1108 C ILE A 74 -3.678 -5.208 4.283 1.00 0.00 C ATOM 1109 O ILE A 74 -3.629 -6.433 4.176 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.617 -4.193 5.418 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.144 -3.902 5.123 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.788 -5.409 6.330 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.637 -3.661 6.416 1.00 0.00 C ATOM 0 H ILE A 74 -2.348 -2.270 4.048 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.755 -4.901 3.439 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.015 -3.330 5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.294 -4.739 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.065 -3.027 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.212 -5.262 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.842 -5.530 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.432 -6.302 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.681 -3.457 6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.212 -2.808 6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.576 -4.547 7.048 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.781 -4.521 4.540 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.057 -5.192 4.718 1.00 0.00 C ATOM 1127 C ALA A 75 -6.594 -5.628 3.353 1.00 0.00 C ATOM 1128 O ALA A 75 -7.165 -6.709 3.222 1.00 0.00 O ATOM 1129 CB ALA A 75 -7.024 -4.263 5.455 1.00 0.00 C ATOM 0 H ALA A 75 -4.817 -3.506 4.629 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.938 -6.088 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.982 -4.766 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.610 -4.006 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.170 -3.354 4.872 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.390 -4.763 2.369 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.846 -5.046 1.019 1.00 0.00 C ATOM 1137 C LYS A 76 -6.104 -6.269 0.479 1.00 0.00 C ATOM 1138 O LYS A 76 -6.622 -6.989 -0.373 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.708 -3.804 0.137 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.691 -3.851 -1.036 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.137 -3.778 -0.541 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.093 -3.441 -1.688 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.191 -4.431 -1.756 1.00 0.00 N ATOM 0 H LYS A 76 -5.915 -3.867 2.480 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.908 -5.293 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.889 -2.909 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.688 -3.734 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.493 -3.022 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.543 -4.770 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.421 -4.731 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.220 -3.022 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.505 -2.442 -1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.548 -3.428 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.830 -4.187 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.794 -5.379 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.721 -4.423 -0.861 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.900 -6.467 0.997 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.080 -7.592 0.579 1.00 0.00 C ATOM 1159 C VAL A 77 -4.524 -8.849 1.330 1.00 0.00 C ATOM 1160 O VAL A 77 -4.433 -9.956 0.802 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.599 -7.265 0.781 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.710 -8.379 0.226 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.245 -5.915 0.153 1.00 0.00 C ATOM 0 H VAL A 77 -4.473 -5.867 1.703 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.213 -7.786 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.415 -7.194 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.663 -8.121 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.934 -9.314 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.899 -8.498 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.187 -5.707 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.453 -5.945 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.842 -5.130 0.617 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.993 -8.635 2.551 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.449 -9.737 3.380 1.00 0.00 C ATOM 1175 C GLU A 78 -6.883 -10.122 3.008 1.00 0.00 C ATOM 1176 O GLU A 78 -7.286 -11.270 3.184 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.344 -9.386 4.865 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.888 -9.428 5.337 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.748 -10.269 6.607 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.505 -9.986 7.561 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.888 -11.175 6.596 1.00 0.00 O ATOM 0 H GLU A 78 -5.067 -7.715 2.985 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.803 -10.596 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.757 -8.392 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.940 -10.086 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.259 -9.844 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.534 -8.415 5.527 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.613 -9.139 2.503 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.993 -9.360 2.105 1.00 0.00 C ATOM 1190 C GLN A 79 -9.061 -9.789 0.638 1.00 0.00 C ATOM 1191 O GLN A 79 -10.100 -9.652 -0.005 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.842 -8.111 2.351 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.945 -8.390 3.374 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.089 -7.226 4.356 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -10.544 -7.230 5.448 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.850 -6.231 3.909 1.00 0.00 N ATOM 0 H GLN A 79 -7.275 -8.187 2.360 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.402 -10.164 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.207 -7.300 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.287 -7.779 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.891 -8.555 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.716 -9.305 3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.277 -6.291 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.007 -5.408 4.491 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.939 -10.300 0.152 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.858 -10.749 -1.227 1.00 0.00 C ATOM 1207 C ALA A 80 -7.489 -12.234 -1.255 1.00 0.00 C ATOM 1208 O ALA A 80 -8.045 -13.001 -2.040 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.850 -9.885 -1.988 1.00 0.00 C ATOM 0 H ALA A 80 -7.079 -10.413 0.689 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.822 -10.639 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.790 -10.222 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.172 -8.844 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.869 -9.972 -1.520 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.554 -12.595 -0.389 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.105 -13.974 -0.303 1.00 0.00 C ATOM 1217 C GLN A 81 -7.304 -14.917 -0.190 1.00 0.00 C ATOM 1218 O GLN A 81 -7.971 -14.959 0.842 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.144 -14.166 0.873 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.951 -13.214 0.766 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.355 -13.238 -0.643 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.220 -12.035 -1.193 1.00 0.00 O flip ATOM 1223 NE2 GLN A 81 -3.039 -14.280 -1.194 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.095 -11.956 0.260 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.562 -14.216 -1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.671 -13.990 1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.791 -15.197 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.267 -12.201 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.189 -13.497 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.170 -15.171 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.644 -14.260 -2.134 1.00 0.00 H new TER 1232 GLN A 81