USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 852 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 87 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.7) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.0043 X(o=-1,f=-1.2) USER MOD Set 2.1: A 36 SER OG : rot -95:sc= 1.08 USER MOD Set 2.2: A 44 THR OG1 : rot -164:sc= 0.36 USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.279 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.795 K(o=-0.79,f=-2) USER MOD Single : A 10 GLN : amide:sc= 0.816 K(o=0.82,f=-5.9!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 21 HIS : no HD1:sc= -3.12! K(o=-3.1!,f=-0.32) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 26 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.981 K(o=0.98,f=-4.7!) USER MOD Single : A 35 ASN : amide:sc= -0.0125 K(o=-0.013,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.323 USER MOD Single : A 38 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.8!) USER MOD Single : A 42 MET CE :methyl 137:sc= -0.14 (180deg=-1.36) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.106 K(o=0.11,f=-5.2!) USER MOD Single : A 59 MET CE :methyl 168:sc= -0.597 (180deg=-1.1) USER MOD Single : A 60 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=0.57) USER MOD Single : A 65 ASN : amide:sc= 1.25 K(o=1.3,f=-0.062) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.0113 (180deg=-0.127) USER MOD Single : A 67 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.28) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0855 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.904 USER MOD Single : A 81 MET CE :methyl -135:sc= -1.4 (180deg=-3.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0.981) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -16.527 2.096 5.376 1.00 0.00 N ATOM 21 CA THR A 2 -16.249 0.751 5.863 1.00 0.00 C ATOM 22 C THR A 2 -14.760 0.611 6.142 1.00 0.00 C ATOM 23 O THR A 2 -13.994 1.557 5.937 1.00 0.00 O ATOM 24 CB THR A 2 -16.647 -0.335 4.833 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.978 -0.093 3.587 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.153 -0.378 4.613 1.00 0.00 C ATOM 0 HA THR A 2 -16.838 0.607 6.769 1.00 0.00 H new ATOM 0 HB THR A 2 -16.342 -1.302 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.532 -0.422 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.392 -1.152 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.652 -0.601 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.494 0.588 4.241 1.00 0.00 H new ATOM 34 N THR A 3 -14.346 -0.562 6.595 1.00 0.00 N ATOM 35 CA THR A 3 -12.934 -0.867 6.704 1.00 0.00 C ATOM 36 C THR A 3 -12.289 -0.805 5.319 1.00 0.00 C ATOM 37 O THR A 3 -11.191 -0.274 5.159 1.00 0.00 O ATOM 38 CB THR A 3 -12.713 -2.255 7.328 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.409 -2.333 8.580 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.233 -2.529 7.539 1.00 0.00 C ATOM 0 H THR A 3 -14.968 -1.314 6.891 1.00 0.00 H new ATOM 0 HA THR A 3 -12.470 -0.128 7.357 1.00 0.00 H new ATOM 0 HB THR A 3 -13.102 -3.009 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.270 -3.218 8.977 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.105 -3.517 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.716 -2.491 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.815 -1.776 8.207 1.00 0.00 H new ATOM 48 N HIS A 4 -13.006 -1.326 4.319 1.00 0.00 N ATOM 49 CA HIS A 4 -12.582 -1.236 2.922 1.00 0.00 C ATOM 50 C HIS A 4 -12.320 0.215 2.548 1.00 0.00 C ATOM 51 O HIS A 4 -11.301 0.542 1.938 1.00 0.00 O ATOM 52 CB HIS A 4 -13.659 -1.792 1.981 1.00 0.00 C ATOM 53 CG HIS A 4 -13.945 -3.250 2.148 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.187 -3.740 2.483 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.152 -4.328 1.980 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.140 -5.056 2.515 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.918 -5.441 2.211 1.00 0.00 N ATOM 0 H HIS A 4 -13.889 -1.818 4.455 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.671 -1.825 2.815 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.582 -1.235 2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.350 -1.612 0.951 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.106 -4.316 1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.966 -5.710 2.751 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.595 -6.407 2.156 1.00 0.00 H new ATOM 66 N ASP A 5 -13.257 1.075 2.926 1.00 0.00 N ATOM 67 CA ASP A 5 -13.161 2.503 2.652 1.00 0.00 C ATOM 68 C ASP A 5 -11.917 3.099 3.301 1.00 0.00 C ATOM 69 O ASP A 5 -11.201 3.884 2.685 1.00 0.00 O ATOM 70 CB ASP A 5 -14.412 3.215 3.165 1.00 0.00 C ATOM 71 CG ASP A 5 -14.407 4.703 2.882 1.00 0.00 C ATOM 72 OD1 ASP A 5 -13.837 5.465 3.687 1.00 0.00 O ATOM 73 OD2 ASP A 5 -15.007 5.119 1.871 1.00 0.00 O ATOM 0 H ASP A 5 -14.102 0.804 3.429 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.083 2.643 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.292 2.767 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.498 3.056 4.240 1.00 0.00 H new ATOM 78 N ARG A 6 -11.646 2.700 4.538 1.00 0.00 N ATOM 79 CA ARG A 6 -10.477 3.194 5.252 1.00 0.00 C ATOM 80 C ARG A 6 -9.183 2.705 4.609 1.00 0.00 C ATOM 81 O ARG A 6 -8.166 3.395 4.663 1.00 0.00 O ATOM 82 CB ARG A 6 -10.520 2.795 6.725 1.00 0.00 C ATOM 83 CG ARG A 6 -11.618 3.495 7.505 1.00 0.00 C ATOM 84 CD ARG A 6 -11.323 3.491 8.992 1.00 0.00 C ATOM 85 NE ARG A 6 -10.097 4.225 9.309 1.00 0.00 N ATOM 86 CZ ARG A 6 -9.617 4.370 10.543 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.238 3.802 11.570 1.00 0.00 N ATOM 88 NH2 ARG A 6 -8.510 5.072 10.750 1.00 0.00 N ATOM 0 H ARG A 6 -12.217 2.039 5.065 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.497 4.282 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.663 1.717 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.557 3.021 7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.718 4.522 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.571 3.000 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.161 3.935 9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.230 2.462 9.341 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.580 4.650 8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.084 3.254 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.869 3.914 12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.024 5.502 9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.145 5.181 11.696 1.00 0.00 H new ATOM 102 N VAL A 7 -9.221 1.523 4.004 1.00 0.00 N ATOM 103 CA VAL A 7 -8.076 1.023 3.249 1.00 0.00 C ATOM 104 C VAL A 7 -7.874 1.882 2.003 1.00 0.00 C ATOM 105 O VAL A 7 -6.747 2.168 1.598 1.00 0.00 O ATOM 106 CB VAL A 7 -8.251 -0.456 2.835 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.009 -0.975 2.129 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.573 -1.324 4.040 1.00 0.00 C ATOM 0 H VAL A 7 -10.026 0.896 4.020 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.201 1.082 3.897 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.089 -0.507 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.159 -2.018 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.825 -0.381 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.152 -0.899 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.691 -2.360 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.761 -1.258 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.498 -0.978 4.501 1.00 0.00 H new ATOM 118 N ARG A 8 -8.984 2.306 1.412 1.00 0.00 N ATOM 119 CA ARG A 8 -8.959 3.212 0.270 1.00 0.00 C ATOM 120 C ARG A 8 -8.326 4.536 0.681 1.00 0.00 C ATOM 121 O ARG A 8 -7.497 5.097 -0.038 1.00 0.00 O ATOM 122 CB ARG A 8 -10.384 3.443 -0.231 1.00 0.00 C ATOM 123 CG ARG A 8 -10.486 4.268 -1.504 1.00 0.00 C ATOM 124 CD ARG A 8 -11.931 4.637 -1.781 1.00 0.00 C ATOM 125 NE ARG A 8 -12.126 5.206 -3.112 1.00 0.00 N ATOM 126 CZ ARG A 8 -13.002 6.171 -3.391 1.00 0.00 C ATOM 127 NH1 ARG A 8 -13.695 6.755 -2.419 1.00 0.00 N ATOM 128 NH2 ARG A 8 -13.172 6.560 -4.646 1.00 0.00 N ATOM 0 H ARG A 8 -9.921 2.034 1.708 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.368 2.771 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.855 2.475 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.954 3.940 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.885 5.172 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.081 3.704 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.554 3.749 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.268 5.353 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.556 4.842 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.559 6.466 -1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.363 7.493 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.634 6.121 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.841 7.298 -4.865 1.00 0.00 H new ATOM 142 N LEU A 9 -8.727 5.020 1.852 1.00 0.00 N ATOM 143 CA LEU A 9 -8.161 6.238 2.420 1.00 0.00 C ATOM 144 C LEU A 9 -6.679 6.040 2.733 1.00 0.00 C ATOM 145 O LEU A 9 -5.875 6.961 2.602 1.00 0.00 O ATOM 146 CB LEU A 9 -8.913 6.623 3.698 1.00 0.00 C ATOM 147 CG LEU A 9 -10.430 6.771 3.546 1.00 0.00 C ATOM 148 CD1 LEU A 9 -11.066 7.110 4.883 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.770 7.829 2.506 1.00 0.00 C ATOM 0 H LEU A 9 -9.446 4.584 2.429 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.264 7.040 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.713 5.869 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.508 7.565 4.068 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.834 5.818 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.144 7.212 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.857 6.314 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.654 8.048 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.853 7.916 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.353 8.788 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.348 7.542 1.543 1.00 0.00 H new ATOM 161 N GLN A 10 -6.330 4.827 3.143 1.00 0.00 N ATOM 162 CA GLN A 10 -4.950 4.473 3.436 1.00 0.00 C ATOM 163 C GLN A 10 -4.098 4.528 2.170 1.00 0.00 C ATOM 164 O GLN A 10 -2.950 4.961 2.206 1.00 0.00 O ATOM 165 CB GLN A 10 -4.893 3.079 4.071 1.00 0.00 C ATOM 166 CG GLN A 10 -3.490 2.594 4.401 1.00 0.00 C ATOM 167 CD GLN A 10 -2.725 3.552 5.292 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.813 3.488 6.516 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.956 4.437 4.683 1.00 0.00 N ATOM 0 H GLN A 10 -6.994 4.065 3.281 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.544 5.196 4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.486 3.086 4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.361 2.365 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.554 1.623 4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.935 2.447 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.910 4.458 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.408 5.100 5.232 1.00 0.00 H new ATOM 178 N LEU A 11 -4.665 4.100 1.051 1.00 0.00 N ATOM 179 CA LEU A 11 -3.975 4.196 -0.230 1.00 0.00 C ATOM 180 C LEU A 11 -3.660 5.653 -0.549 1.00 0.00 C ATOM 181 O LEU A 11 -2.567 5.982 -1.010 1.00 0.00 O ATOM 182 CB LEU A 11 -4.825 3.591 -1.346 1.00 0.00 C ATOM 183 CG LEU A 11 -5.133 2.102 -1.198 1.00 0.00 C ATOM 184 CD1 LEU A 11 -6.047 1.642 -2.318 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.848 1.287 -1.188 1.00 0.00 C ATOM 0 H LEU A 11 -5.596 3.685 1.002 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.042 3.636 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.767 4.137 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.313 3.747 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.642 1.946 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.259 0.579 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.980 2.204 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.560 1.811 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.089 0.229 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.310 1.445 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.223 1.603 -0.352 1.00 0.00 H new ATOM 197 N GLN A 12 -4.626 6.522 -0.277 1.00 0.00 N ATOM 198 CA GLN A 12 -4.460 7.953 -0.490 1.00 0.00 C ATOM 199 C GLN A 12 -3.427 8.527 0.483 1.00 0.00 C ATOM 200 O GLN A 12 -2.615 9.376 0.115 1.00 0.00 O ATOM 201 CB GLN A 12 -5.804 8.665 -0.320 1.00 0.00 C ATOM 202 CG GLN A 12 -6.860 8.213 -1.319 1.00 0.00 C ATOM 203 CD GLN A 12 -8.216 8.852 -1.074 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.582 9.153 0.062 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.968 9.070 -2.139 1.00 0.00 N ATOM 0 H GLN A 12 -5.538 6.257 0.094 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.099 8.115 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.173 8.491 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.653 9.739 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.526 8.456 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.960 7.129 -1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.630 8.807 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.886 9.502 -2.035 1.00 0.00 H new ATOM 214 N ALA A 13 -3.460 8.046 1.722 1.00 0.00 N ATOM 215 CA ALA A 13 -2.521 8.485 2.749 1.00 0.00 C ATOM 216 C ALA A 13 -1.103 8.031 2.421 1.00 0.00 C ATOM 217 O ALA A 13 -0.143 8.789 2.580 1.00 0.00 O ATOM 218 CB ALA A 13 -2.946 7.961 4.112 1.00 0.00 C ATOM 0 H ALA A 13 -4.132 7.348 2.041 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.529 9.575 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.236 8.296 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.939 8.339 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.967 6.871 4.092 1.00 0.00 H new ATOM 224 N LEU A 14 -0.978 6.792 1.954 1.00 0.00 N ATOM 225 CA LEU A 14 0.312 6.242 1.554 1.00 0.00 C ATOM 226 C LEU A 14 0.876 7.033 0.381 1.00 0.00 C ATOM 227 O LEU A 14 2.072 7.311 0.325 1.00 0.00 O ATOM 228 CB LEU A 14 0.171 4.765 1.172 1.00 0.00 C ATOM 229 CG LEU A 14 1.468 4.066 0.755 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.454 4.023 1.914 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.171 2.663 0.252 1.00 0.00 C ATOM 0 H LEU A 14 -1.760 6.147 1.843 1.00 0.00 H new ATOM 0 HA LEU A 14 0.998 6.318 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.255 4.228 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.544 4.686 0.353 1.00 0.00 H new ATOM 0 HG LEU A 14 1.923 4.636 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.368 3.522 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.688 5.039 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.012 3.477 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.102 2.177 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.694 2.086 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.504 2.719 -0.608 1.00 0.00 H new ATOM 243 N GLU A 15 -0.006 7.397 -0.543 1.00 0.00 N ATOM 244 CA GLU A 15 0.358 8.228 -1.683 1.00 0.00 C ATOM 245 C GLU A 15 0.984 9.540 -1.216 1.00 0.00 C ATOM 246 O GLU A 15 2.054 9.931 -1.681 1.00 0.00 O ATOM 247 CB GLU A 15 -0.883 8.516 -2.532 1.00 0.00 C ATOM 248 CG GLU A 15 -0.640 9.486 -3.678 1.00 0.00 C ATOM 249 CD GLU A 15 -1.913 9.832 -4.422 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.704 10.650 -3.906 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.126 9.297 -5.529 1.00 0.00 O ATOM 0 H GLU A 15 -0.989 7.126 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 15 1.091 7.690 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.258 7.577 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.665 8.919 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.191 10.399 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.077 9.050 -4.374 1.00 0.00 H new ATOM 258 N ALA A 16 0.312 10.209 -0.283 1.00 0.00 N ATOM 259 CA ALA A 16 0.795 11.475 0.249 1.00 0.00 C ATOM 260 C ALA A 16 2.118 11.292 0.985 1.00 0.00 C ATOM 261 O ALA A 16 3.004 12.144 0.910 1.00 0.00 O ATOM 262 CB ALA A 16 -0.243 12.098 1.166 1.00 0.00 C ATOM 0 H ALA A 16 -0.570 9.893 0.119 1.00 0.00 H new ATOM 0 HA ALA A 16 0.967 12.149 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.135 13.044 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.162 12.277 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.449 11.421 1.995 1.00 0.00 H new ATOM 268 N LEU A 17 2.247 10.172 1.686 1.00 0.00 N ATOM 269 CA LEU A 17 3.483 9.847 2.385 1.00 0.00 C ATOM 270 C LEU A 17 4.629 9.678 1.390 1.00 0.00 C ATOM 271 O LEU A 17 5.698 10.270 1.554 1.00 0.00 O ATOM 272 CB LEU A 17 3.319 8.567 3.205 1.00 0.00 C ATOM 273 CG LEU A 17 4.552 8.159 4.013 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.328 8.407 5.495 1.00 0.00 C ATOM 275 CD2 LEU A 17 4.904 6.706 3.748 1.00 0.00 C ATOM 0 H LEU A 17 1.510 9.474 1.785 1.00 0.00 H new ATOM 0 HA LEU A 17 3.716 10.670 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.480 8.696 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.058 7.751 2.531 1.00 0.00 H new ATOM 0 HG LEU A 17 5.394 8.774 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.217 8.110 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.133 9.466 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.474 7.823 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.784 6.433 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.066 6.070 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.115 6.570 2.687 1.00 0.00 H new ATOM 287 N LEU A 18 4.399 8.870 0.359 1.00 0.00 N ATOM 288 CA LEU A 18 5.398 8.654 -0.683 1.00 0.00 C ATOM 289 C LEU A 18 5.719 9.968 -1.384 1.00 0.00 C ATOM 290 O LEU A 18 6.875 10.245 -1.702 1.00 0.00 O ATOM 291 CB LEU A 18 4.912 7.614 -1.696 1.00 0.00 C ATOM 292 CG LEU A 18 4.682 6.209 -1.127 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.130 5.283 -2.200 1.00 0.00 C ATOM 294 CD2 LEU A 18 5.972 5.646 -0.547 1.00 0.00 C ATOM 0 H LEU A 18 3.530 8.354 0.223 1.00 0.00 H new ATOM 0 HA LEU A 18 6.306 8.274 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.980 7.967 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.642 7.547 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 18 3.949 6.281 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.973 4.290 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.182 5.676 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.839 5.219 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.787 4.648 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.729 5.589 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.326 6.296 0.253 1.00 0.00 H new ATOM 306 N ARG A 19 4.684 10.773 -1.604 1.00 0.00 N ATOM 307 CA ARG A 19 4.833 12.113 -2.162 1.00 0.00 C ATOM 308 C ARG A 19 5.860 12.922 -1.373 1.00 0.00 C ATOM 309 O ARG A 19 6.853 13.393 -1.930 1.00 0.00 O ATOM 310 CB ARG A 19 3.478 12.827 -2.138 1.00 0.00 C ATOM 311 CG ARG A 19 3.550 14.318 -2.420 1.00 0.00 C ATOM 312 CD ARG A 19 2.248 15.006 -2.045 1.00 0.00 C ATOM 313 NE ARG A 19 2.322 16.461 -2.190 1.00 0.00 N ATOM 314 CZ ARG A 19 2.620 17.297 -1.195 1.00 0.00 C ATOM 315 NH1 ARG A 19 2.899 16.822 0.014 1.00 0.00 N ATOM 316 NH2 ARG A 19 2.641 18.607 -1.411 1.00 0.00 N ATOM 0 H ARG A 19 3.718 10.515 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 19 5.186 12.026 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.823 12.361 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.019 12.676 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.373 14.759 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.761 14.482 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.444 14.622 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.994 14.759 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 19 2.134 16.860 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.885 15.816 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.127 17.463 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.429 18.974 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.869 19.246 -0.649 1.00 0.00 H new ATOM 330 N GLU A 20 5.627 13.061 -0.071 1.00 0.00 N ATOM 331 CA GLU A 20 6.489 13.875 0.777 1.00 0.00 C ATOM 332 C GLU A 20 7.887 13.278 0.885 1.00 0.00 C ATOM 333 O GLU A 20 8.878 14.003 0.901 1.00 0.00 O ATOM 334 CB GLU A 20 5.886 14.034 2.171 1.00 0.00 C ATOM 335 CG GLU A 20 4.502 14.657 2.169 1.00 0.00 C ATOM 336 CD GLU A 20 3.988 14.931 3.565 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.956 13.996 4.389 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.623 16.091 3.848 1.00 0.00 O ATOM 0 H GLU A 20 4.848 12.620 0.419 1.00 0.00 H new ATOM 0 HA GLU A 20 6.569 14.857 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.834 13.056 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.551 14.649 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.528 15.590 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.809 13.992 1.654 1.00 0.00 H new ATOM 345 N HIS A 21 7.969 11.954 0.942 1.00 0.00 N ATOM 346 CA HIS A 21 9.260 11.279 1.055 1.00 0.00 C ATOM 347 C HIS A 21 9.927 11.116 -0.310 1.00 0.00 C ATOM 348 O HIS A 21 10.875 10.345 -0.451 1.00 0.00 O ATOM 349 CB HIS A 21 9.106 9.916 1.735 1.00 0.00 C ATOM 350 CG HIS A 21 8.808 10.008 3.203 1.00 0.00 C ATOM 351 ND1 HIS A 21 9.789 10.001 4.170 1.00 0.00 N ATOM 352 CD2 HIS A 21 7.633 10.109 3.868 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.230 10.090 5.362 1.00 0.00 C ATOM 354 NE2 HIS A 21 7.923 10.159 5.209 1.00 0.00 N ATOM 0 H HIS A 21 7.164 11.328 0.912 1.00 0.00 H new ATOM 0 HA HIS A 21 9.902 11.907 1.673 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.305 9.363 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.023 9.343 1.594 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.649 10.144 3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.756 10.104 6.305 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.240 10.237 5.962 1.00 0.00 H new ATOM 363 N GLN A 22 9.420 11.849 -1.304 1.00 0.00 N ATOM 364 CA GLN A 22 10.010 11.894 -2.645 1.00 0.00 C ATOM 365 C GLN A 22 10.123 10.504 -3.266 1.00 0.00 C ATOM 366 O GLN A 22 11.061 10.216 -4.008 1.00 0.00 O ATOM 367 CB GLN A 22 11.386 12.563 -2.599 1.00 0.00 C ATOM 368 CG GLN A 22 11.359 13.957 -1.997 1.00 0.00 C ATOM 369 CD GLN A 22 12.711 14.634 -2.032 1.00 0.00 C ATOM 370 OE1 GLN A 22 13.755 13.980 -1.987 1.00 0.00 O ATOM 371 NE2 GLN A 22 12.701 15.953 -2.104 1.00 0.00 N ATOM 0 H GLN A 22 8.587 12.429 -1.202 1.00 0.00 H new ATOM 0 HA GLN A 22 9.343 12.483 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.066 11.938 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.788 12.620 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.637 14.568 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.014 13.896 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.814 16.455 -2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.580 16.469 -2.124 1.00 0.00 H new ATOM 380 N HIS A 23 9.153 9.653 -2.978 1.00 0.00 N ATOM 381 CA HIS A 23 9.104 8.322 -3.562 1.00 0.00 C ATOM 382 C HIS A 23 7.824 8.160 -4.359 1.00 0.00 C ATOM 383 O HIS A 23 7.320 7.053 -4.543 1.00 0.00 O ATOM 384 CB HIS A 23 9.208 7.236 -2.488 1.00 0.00 C ATOM 385 CG HIS A 23 10.582 7.111 -1.903 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.691 6.797 -2.653 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.024 7.267 -0.634 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.754 6.763 -1.874 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.378 7.045 -0.641 1.00 0.00 N ATOM 0 H HIS A 23 8.385 9.861 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 23 9.960 8.208 -4.228 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.499 7.455 -1.690 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.916 6.279 -2.920 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.422 7.520 0.226 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.762 6.542 -2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.992 7.090 0.172 1.00 0.00 H new ATOM 398 N TRP A 24 7.306 9.282 -4.830 1.00 0.00 N ATOM 399 CA TRP A 24 6.130 9.280 -5.674 1.00 0.00 C ATOM 400 C TRP A 24 6.515 9.757 -7.065 1.00 0.00 C ATOM 401 O TRP A 24 6.635 10.959 -7.315 1.00 0.00 O ATOM 402 CB TRP A 24 5.037 10.168 -5.083 1.00 0.00 C ATOM 403 CG TRP A 24 3.673 9.854 -5.616 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.785 10.729 -6.170 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.047 8.565 -5.661 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.643 10.066 -6.546 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.780 8.737 -6.245 1.00 0.00 C ATOM 408 CE3 TRP A 24 3.433 7.283 -5.261 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.898 7.677 -6.439 1.00 0.00 C ATOM 410 CZ3 TRP A 24 2.558 6.233 -5.455 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.303 6.435 -6.040 1.00 0.00 C ATOM 0 H TRP A 24 7.686 10.209 -4.639 1.00 0.00 H new ATOM 0 HA TRP A 24 5.734 8.266 -5.736 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.032 10.055 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.272 11.211 -5.293 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.955 11.788 -6.295 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.825 10.494 -6.979 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.399 7.116 -4.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.072 7.831 -6.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.847 5.238 -5.150 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.642 5.592 -6.179 1.00 0.00 H new ATOM 422 N ARG A 25 6.741 8.810 -7.955 1.00 0.00 N ATOM 423 CA ARG A 25 7.240 9.116 -9.282 1.00 0.00 C ATOM 424 C ARG A 25 6.267 8.635 -10.348 1.00 0.00 C ATOM 425 O ARG A 25 5.374 7.833 -10.074 1.00 0.00 O ATOM 426 CB ARG A 25 8.600 8.441 -9.498 1.00 0.00 C ATOM 427 CG ARG A 25 8.509 6.923 -9.539 1.00 0.00 C ATOM 428 CD ARG A 25 9.859 6.267 -9.779 1.00 0.00 C ATOM 429 NE ARG A 25 9.717 4.831 -10.015 1.00 0.00 N ATOM 430 CZ ARG A 25 10.739 3.996 -10.200 1.00 0.00 C ATOM 431 NH1 ARG A 25 11.987 4.419 -10.057 1.00 0.00 N ATOM 432 NH2 ARG A 25 10.512 2.727 -10.501 1.00 0.00 N ATOM 0 H ARG A 25 6.586 7.817 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 25 7.348 10.198 -9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.033 8.799 -10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.278 8.738 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.095 6.561 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.818 6.624 -10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.345 6.732 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.505 6.434 -8.917 1.00 0.00 H new ATOM 0 HE ARG A 25 8.774 4.443 -10.040 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.171 5.390 -9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.764 3.774 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.554 2.388 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.295 2.089 -10.642 1.00 0.00 H new ATOM 446 N ASN A 26 6.456 9.122 -11.559 1.00 0.00 N ATOM 447 CA ASN A 26 5.713 8.642 -12.710 1.00 0.00 C ATOM 448 C ASN A 26 6.695 8.188 -13.779 1.00 0.00 C ATOM 449 O ASN A 26 7.136 8.978 -14.615 1.00 0.00 O ATOM 450 CB ASN A 26 4.782 9.730 -13.261 1.00 0.00 C ATOM 451 CG ASN A 26 3.948 9.247 -14.437 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.857 8.706 -14.262 1.00 0.00 O ATOM 453 ND2 ASN A 26 4.452 9.448 -15.644 1.00 0.00 N ATOM 0 H ASN A 26 7.127 9.860 -11.773 1.00 0.00 H new ATOM 0 HA ASN A 26 5.089 7.802 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.119 10.072 -12.466 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.377 10.589 -13.571 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.932 9.151 -16.470 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.360 9.900 -15.749 1.00 0.00 H new ATOM 460 N ASP A 27 7.073 6.921 -13.716 1.00 0.00 N ATOM 461 CA ASP A 27 8.062 6.373 -14.635 1.00 0.00 C ATOM 462 C ASP A 27 7.363 5.844 -15.880 1.00 0.00 C ATOM 463 O ASP A 27 6.134 5.812 -15.944 1.00 0.00 O ATOM 464 CB ASP A 27 8.854 5.244 -13.952 1.00 0.00 C ATOM 465 CG ASP A 27 10.256 5.039 -14.521 1.00 0.00 C ATOM 466 OD1 ASP A 27 10.412 4.952 -15.757 1.00 0.00 O ATOM 467 OD2 ASP A 27 11.210 4.941 -13.724 1.00 0.00 O ATOM 0 H ASP A 27 6.710 6.251 -13.038 1.00 0.00 H new ATOM 0 HA ASP A 27 8.758 7.161 -14.922 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.933 5.462 -12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.295 4.313 -14.046 1.00 0.00 H new ATOM 472 N GLU A 28 8.147 5.424 -16.853 1.00 0.00 N ATOM 473 CA GLU A 28 7.625 4.855 -18.081 1.00 0.00 C ATOM 474 C GLU A 28 8.179 3.444 -18.254 1.00 0.00 C ATOM 475 O GLU A 28 9.096 3.219 -19.051 1.00 0.00 O ATOM 476 CB GLU A 28 8.009 5.734 -19.272 1.00 0.00 C ATOM 477 CG GLU A 28 7.471 7.151 -19.170 1.00 0.00 C ATOM 478 CD GLU A 28 8.155 8.101 -20.123 1.00 0.00 C ATOM 479 OE1 GLU A 28 7.811 8.104 -21.322 1.00 0.00 O ATOM 480 OE2 GLU A 28 9.049 8.851 -19.677 1.00 0.00 O ATOM 0 H GLU A 28 9.165 5.467 -16.815 1.00 0.00 H new ATOM 0 HA GLU A 28 6.537 4.808 -18.030 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.095 5.770 -19.353 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.636 5.276 -20.188 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.400 7.145 -19.375 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.598 7.512 -18.149 1.00 0.00 H new ATOM 487 N PRO A 29 7.642 2.480 -17.487 1.00 0.00 N ATOM 488 CA PRO A 29 8.175 1.118 -17.438 1.00 0.00 C ATOM 489 C PRO A 29 8.101 0.414 -18.784 1.00 0.00 C ATOM 490 O PRO A 29 7.142 0.589 -19.547 1.00 0.00 O ATOM 491 CB PRO A 29 7.282 0.408 -16.411 1.00 0.00 C ATOM 492 CG PRO A 29 6.035 1.221 -16.361 1.00 0.00 C ATOM 493 CD PRO A 29 6.459 2.636 -16.622 1.00 0.00 C ATOM 0 HA PRO A 29 9.232 1.112 -17.173 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.073 -0.618 -16.712 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.763 0.362 -15.434 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.318 0.883 -17.109 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.548 1.131 -15.390 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.672 3.207 -17.115 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.702 3.160 -15.698 1.00 0.00 H new ATOM 501 N GLN A 30 9.126 -0.364 -19.080 1.00 0.00 N ATOM 502 CA GLN A 30 9.159 -1.142 -20.299 1.00 0.00 C ATOM 503 C GLN A 30 8.290 -2.380 -20.119 1.00 0.00 C ATOM 504 O GLN A 30 8.206 -2.915 -19.015 1.00 0.00 O ATOM 505 CB GLN A 30 10.600 -1.518 -20.650 1.00 0.00 C ATOM 506 CG GLN A 30 11.498 -0.306 -20.843 1.00 0.00 C ATOM 507 CD GLN A 30 12.887 -0.661 -21.335 1.00 0.00 C ATOM 508 OE1 GLN A 30 13.081 -1.657 -22.033 1.00 0.00 O ATOM 509 NE2 GLN A 30 13.862 0.160 -20.985 1.00 0.00 N ATOM 0 H GLN A 30 9.949 -0.472 -18.488 1.00 0.00 H new ATOM 0 HA GLN A 30 8.765 -0.553 -21.127 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.010 -2.145 -19.858 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.603 -2.115 -21.562 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.031 0.374 -21.555 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.581 0.230 -19.898 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.659 0.975 -20.405 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.817 -0.021 -21.294 1.00 0.00 H new ATOM 518 N PRO A 31 7.625 -2.835 -21.192 1.00 0.00 N ATOM 519 CA PRO A 31 6.637 -3.915 -21.121 1.00 0.00 C ATOM 520 C PRO A 31 7.112 -5.124 -20.320 1.00 0.00 C ATOM 521 O PRO A 31 6.376 -5.646 -19.490 1.00 0.00 O ATOM 522 CB PRO A 31 6.427 -4.300 -22.580 1.00 0.00 C ATOM 523 CG PRO A 31 6.734 -3.065 -23.352 1.00 0.00 C ATOM 524 CD PRO A 31 7.785 -2.326 -22.568 1.00 0.00 C ATOM 0 HA PRO A 31 5.733 -3.587 -20.608 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.083 -5.120 -22.870 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.404 -4.632 -22.757 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.095 -3.311 -24.351 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.841 -2.453 -23.478 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.785 -2.525 -22.954 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.634 -1.248 -22.615 1.00 0.00 H new ATOM 532 N HIS A 32 8.349 -5.544 -20.553 1.00 0.00 N ATOM 533 CA HIS A 32 8.879 -6.751 -19.925 1.00 0.00 C ATOM 534 C HIS A 32 8.921 -6.623 -18.400 1.00 0.00 C ATOM 535 O HIS A 32 8.792 -7.621 -17.691 1.00 0.00 O ATOM 536 CB HIS A 32 10.269 -7.070 -20.473 1.00 0.00 C ATOM 537 CG HIS A 32 10.713 -8.472 -20.194 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.451 -9.521 -21.047 1.00 0.00 N ATOM 539 CD2 HIS A 32 11.405 -8.998 -19.155 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.960 -10.631 -20.544 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.544 -10.339 -19.400 1.00 0.00 N ATOM 0 H HIS A 32 9.005 -5.068 -21.172 1.00 0.00 H new ATOM 0 HA HIS A 32 8.206 -7.573 -20.168 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.273 -6.903 -21.550 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.990 -6.376 -20.040 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.777 -8.461 -18.295 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.907 -11.611 -20.994 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.023 -11.005 -18.794 1.00 0.00 H new ATOM 550 N GLN A 33 9.091 -5.398 -17.903 1.00 0.00 N ATOM 551 CA GLN A 33 9.065 -5.141 -16.464 1.00 0.00 C ATOM 552 C GLN A 33 7.731 -5.581 -15.874 1.00 0.00 C ATOM 553 O GLN A 33 7.684 -6.255 -14.844 1.00 0.00 O ATOM 554 CB GLN A 33 9.283 -3.650 -16.176 1.00 0.00 C ATOM 555 CG GLN A 33 10.739 -3.214 -16.189 1.00 0.00 C ATOM 556 CD GLN A 33 10.892 -1.702 -16.165 1.00 0.00 C ATOM 557 OE1 GLN A 33 11.008 -1.062 -17.213 1.00 0.00 O ATOM 558 NE2 GLN A 33 10.862 -1.118 -14.980 1.00 0.00 N ATOM 0 H GLN A 33 9.248 -4.569 -18.476 1.00 0.00 H new ATOM 0 HA GLN A 33 9.871 -5.712 -16.003 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.735 -3.066 -16.915 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.855 -3.414 -15.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.251 -3.642 -15.327 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.226 -3.612 -17.079 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.765 -1.682 -14.136 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.936 -0.103 -14.910 1.00 0.00 H new ATOM 567 N PHE A 34 6.658 -5.218 -16.561 1.00 0.00 N ATOM 568 CA PHE A 34 5.309 -5.494 -16.099 1.00 0.00 C ATOM 569 C PHE A 34 4.852 -6.888 -16.524 1.00 0.00 C ATOM 570 O PHE A 34 4.173 -7.583 -15.769 1.00 0.00 O ATOM 571 CB PHE A 34 4.354 -4.431 -16.648 1.00 0.00 C ATOM 572 CG PHE A 34 2.913 -4.692 -16.337 1.00 0.00 C ATOM 573 CD1 PHE A 34 2.431 -4.553 -15.046 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.039 -5.077 -17.340 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.103 -4.793 -14.759 1.00 0.00 C ATOM 576 CE2 PHE A 34 0.709 -5.320 -17.060 1.00 0.00 C ATOM 577 CZ PHE A 34 0.240 -5.178 -15.768 1.00 0.00 C ATOM 0 H PHE A 34 6.699 -4.725 -17.453 1.00 0.00 H new ATOM 0 HA PHE A 34 5.302 -5.462 -15.009 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.634 -3.460 -16.240 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.477 -4.370 -17.729 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.102 -4.253 -14.255 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.401 -5.188 -18.351 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.739 -4.680 -13.749 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.036 -5.621 -17.850 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.800 -5.368 -15.547 1.00 0.00 H new ATOM 587 N ASN A 35 5.246 -7.299 -17.726 1.00 0.00 N ATOM 588 CA ASN A 35 4.818 -8.582 -18.286 1.00 0.00 C ATOM 589 C ASN A 35 5.417 -9.755 -17.533 1.00 0.00 C ATOM 590 O ASN A 35 5.097 -10.906 -17.823 1.00 0.00 O ATOM 591 CB ASN A 35 5.170 -8.685 -19.773 1.00 0.00 C ATOM 592 CG ASN A 35 4.338 -7.763 -20.639 1.00 0.00 C ATOM 593 OD1 ASN A 35 3.206 -7.422 -20.302 1.00 0.00 O ATOM 594 ND2 ASN A 35 4.893 -7.358 -21.768 1.00 0.00 N ATOM 0 H ASN A 35 5.863 -6.762 -18.335 1.00 0.00 H new ATOM 0 HA ASN A 35 3.734 -8.625 -18.177 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.225 -8.449 -19.909 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.028 -9.714 -20.105 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.379 -6.740 -22.396 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.835 -7.664 -22.012 1.00 0.00 H new ATOM 601 N SER A 36 6.285 -9.472 -16.573 1.00 0.00 N ATOM 602 CA SER A 36 6.740 -10.499 -15.655 1.00 0.00 C ATOM 603 C SER A 36 5.529 -11.067 -14.922 1.00 0.00 C ATOM 604 O SER A 36 5.459 -12.261 -14.631 1.00 0.00 O ATOM 605 CB SER A 36 7.746 -9.917 -14.658 1.00 0.00 C ATOM 606 OG SER A 36 7.174 -8.842 -13.929 1.00 0.00 O ATOM 0 H SER A 36 6.684 -8.547 -16.412 1.00 0.00 H new ATOM 0 HA SER A 36 7.240 -11.293 -16.209 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.073 -10.696 -13.969 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.632 -9.570 -15.190 1.00 0.00 H new ATOM 0 HG SER A 36 7.400 -7.994 -14.365 1.00 0.00 H new ATOM 612 N THR A 37 4.568 -10.175 -14.643 1.00 0.00 N ATOM 613 CA THR A 37 3.308 -10.537 -14.013 1.00 0.00 C ATOM 614 C THR A 37 3.559 -11.156 -12.631 1.00 0.00 C ATOM 615 O THR A 37 2.722 -11.862 -12.068 1.00 0.00 O ATOM 616 CB THR A 37 2.509 -11.489 -14.936 1.00 0.00 C ATOM 617 OG1 THR A 37 2.500 -10.950 -16.266 1.00 0.00 O ATOM 618 CG2 THR A 37 1.070 -11.664 -14.464 1.00 0.00 C ATOM 0 H THR A 37 4.651 -9.180 -14.852 1.00 0.00 H new ATOM 0 HA THR A 37 2.709 -9.639 -13.862 1.00 0.00 H new ATOM 0 HB THR A 37 2.993 -12.465 -14.913 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.368 -11.113 -16.691 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.545 -12.339 -15.140 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.066 -12.082 -13.457 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.569 -10.696 -14.457 1.00 0.00 H new ATOM 626 N GLN A 38 4.720 -10.846 -12.075 1.00 0.00 N ATOM 627 CA GLN A 38 5.098 -11.332 -10.763 1.00 0.00 C ATOM 628 C GLN A 38 4.695 -10.325 -9.704 1.00 0.00 C ATOM 629 O GLN A 38 4.972 -9.132 -9.844 1.00 0.00 O ATOM 630 CB GLN A 38 6.608 -11.545 -10.686 1.00 0.00 C ATOM 631 CG GLN A 38 7.077 -12.180 -9.385 1.00 0.00 C ATOM 632 CD GLN A 38 6.955 -13.688 -9.386 1.00 0.00 C ATOM 633 OE1 GLN A 38 5.913 -14.240 -9.043 1.00 0.00 O ATOM 634 NE2 GLN A 38 8.034 -14.360 -9.746 1.00 0.00 N ATOM 0 H GLN A 38 5.421 -10.254 -12.520 1.00 0.00 H new ATOM 0 HA GLN A 38 4.588 -12.280 -10.591 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.919 -12.176 -11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.107 -10.584 -10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.117 -11.905 -9.207 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.494 -11.774 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.878 -13.859 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.023 -15.380 -9.746 1.00 0.00 H new ATOM 643 N PRO A 39 4.028 -10.783 -8.642 1.00 0.00 N ATOM 644 CA PRO A 39 3.763 -9.953 -7.472 1.00 0.00 C ATOM 645 C PRO A 39 5.038 -9.280 -6.973 1.00 0.00 C ATOM 646 O PRO A 39 6.090 -9.919 -6.899 1.00 0.00 O ATOM 647 CB PRO A 39 3.267 -10.963 -6.442 1.00 0.00 C ATOM 648 CG PRO A 39 2.635 -12.037 -7.251 1.00 0.00 C ATOM 649 CD PRO A 39 3.463 -12.138 -8.502 1.00 0.00 C ATOM 0 HA PRO A 39 3.057 -9.148 -7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.088 -11.351 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.552 -10.511 -5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.626 -12.983 -6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.599 -11.794 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.244 -12.892 -8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.857 -12.413 -9.365 1.00 0.00 H new ATOM 657 N PHE A 40 4.939 -7.987 -6.672 1.00 0.00 N ATOM 658 CA PHE A 40 6.067 -7.196 -6.151 1.00 0.00 C ATOM 659 C PHE A 40 7.169 -7.039 -7.197 1.00 0.00 C ATOM 660 O PHE A 40 8.221 -6.476 -6.906 1.00 0.00 O ATOM 661 CB PHE A 40 6.675 -7.832 -4.892 1.00 0.00 C ATOM 662 CG PHE A 40 5.701 -8.117 -3.785 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.035 -9.327 -3.736 1.00 0.00 C ATOM 664 CD2 PHE A 40 5.470 -7.188 -2.785 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.154 -9.611 -2.716 1.00 0.00 C ATOM 666 CE2 PHE A 40 4.586 -7.464 -1.761 1.00 0.00 C ATOM 667 CZ PHE A 40 3.928 -8.680 -1.728 1.00 0.00 C ATOM 0 H PHE A 40 4.077 -7.452 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 40 5.661 -6.216 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.162 -8.765 -5.175 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.452 -7.170 -4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.208 -10.061 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.986 -6.239 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.642 -10.562 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.409 -6.732 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.237 -8.899 -0.927 1.00 0.00 H new ATOM 677 N PHE A 41 6.912 -7.530 -8.411 1.00 0.00 N ATOM 678 CA PHE A 41 7.939 -7.630 -9.444 1.00 0.00 C ATOM 679 C PHE A 41 9.139 -8.411 -8.927 1.00 0.00 C ATOM 680 O PHE A 41 10.276 -8.093 -9.250 1.00 0.00 O ATOM 681 CB PHE A 41 8.389 -6.249 -9.944 1.00 0.00 C ATOM 682 CG PHE A 41 7.363 -5.539 -10.786 1.00 0.00 C ATOM 683 CD1 PHE A 41 6.482 -6.254 -11.584 1.00 0.00 C ATOM 684 CD2 PHE A 41 7.278 -4.157 -10.779 1.00 0.00 C ATOM 685 CE1 PHE A 41 5.538 -5.604 -12.355 1.00 0.00 C ATOM 686 CE2 PHE A 41 6.336 -3.500 -11.549 1.00 0.00 C ATOM 687 CZ PHE A 41 5.465 -4.225 -12.338 1.00 0.00 C ATOM 0 H PHE A 41 5.994 -7.866 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 41 7.497 -8.161 -10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.634 -5.625 -9.085 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.304 -6.365 -10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.535 -7.333 -11.603 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.957 -3.585 -10.164 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.858 -6.174 -12.971 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.282 -2.421 -11.533 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.728 -3.715 -12.941 1.00 0.00 H new ATOM 697 N MET A 42 8.876 -9.458 -8.143 1.00 0.00 N ATOM 698 CA MET A 42 9.940 -10.297 -7.585 1.00 0.00 C ATOM 699 C MET A 42 10.769 -10.953 -8.689 1.00 0.00 C ATOM 700 O MET A 42 11.892 -11.402 -8.458 1.00 0.00 O ATOM 701 CB MET A 42 9.355 -11.371 -6.660 1.00 0.00 C ATOM 702 CG MET A 42 8.808 -10.811 -5.357 1.00 0.00 C ATOM 703 SD MET A 42 8.237 -12.085 -4.208 1.00 0.00 S ATOM 704 CE MET A 42 6.639 -12.504 -4.900 1.00 0.00 C ATOM 0 H MET A 42 7.934 -9.746 -7.879 1.00 0.00 H new ATOM 0 HA MET A 42 10.597 -9.650 -7.004 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.557 -11.897 -7.185 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.127 -12.107 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.583 -10.217 -4.872 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.981 -10.136 -5.579 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.511 -13.586 -4.890 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.852 -12.040 -4.305 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.580 -12.141 -5.926 1.00 0.00 H new ATOM 714 N ASP A 43 10.211 -10.994 -9.891 1.00 0.00 N ATOM 715 CA ASP A 43 10.907 -11.562 -11.035 1.00 0.00 C ATOM 716 C ASP A 43 11.826 -10.526 -11.666 1.00 0.00 C ATOM 717 O ASP A 43 13.030 -10.744 -11.791 1.00 0.00 O ATOM 718 CB ASP A 43 9.909 -12.067 -12.077 1.00 0.00 C ATOM 719 CG ASP A 43 10.598 -12.695 -13.271 1.00 0.00 C ATOM 720 OD1 ASP A 43 10.992 -11.956 -14.194 1.00 0.00 O ATOM 721 OD2 ASP A 43 10.745 -13.935 -13.289 1.00 0.00 O ATOM 0 H ASP A 43 9.277 -10.640 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 43 11.505 -12.403 -10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.245 -12.798 -11.617 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.286 -11.238 -12.413 1.00 0.00 H new ATOM 726 N THR A 44 11.250 -9.391 -12.047 1.00 0.00 N ATOM 727 CA THR A 44 11.993 -8.334 -12.721 1.00 0.00 C ATOM 728 C THR A 44 12.782 -7.470 -11.735 1.00 0.00 C ATOM 729 O THR A 44 13.547 -6.595 -12.142 1.00 0.00 O ATOM 730 CB THR A 44 11.046 -7.458 -13.556 1.00 0.00 C ATOM 731 OG1 THR A 44 9.799 -7.303 -12.861 1.00 0.00 O ATOM 732 CG2 THR A 44 10.802 -8.078 -14.926 1.00 0.00 C ATOM 0 H THR A 44 10.263 -9.179 -11.899 1.00 0.00 H new ATOM 0 HA THR A 44 12.711 -8.816 -13.384 1.00 0.00 H new ATOM 0 HB THR A 44 11.509 -6.482 -13.700 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.118 -6.969 -13.481 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.129 -7.440 -15.499 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.750 -8.174 -15.456 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.353 -9.064 -14.805 1.00 0.00 H new ATOM 740 N MET A 45 12.576 -7.725 -10.440 1.00 0.00 N ATOM 741 CA MET A 45 13.381 -7.126 -9.372 1.00 0.00 C ATOM 742 C MET A 45 13.131 -5.628 -9.246 1.00 0.00 C ATOM 743 O MET A 45 14.061 -4.860 -8.992 1.00 0.00 O ATOM 744 CB MET A 45 14.866 -7.368 -9.633 1.00 0.00 C ATOM 745 CG MET A 45 15.211 -8.819 -9.913 1.00 0.00 C ATOM 746 SD MET A 45 16.885 -9.020 -10.546 1.00 0.00 S ATOM 747 CE MET A 45 16.811 -10.703 -11.151 1.00 0.00 C ATOM 0 H MET A 45 11.846 -8.353 -10.102 1.00 0.00 H new ATOM 0 HA MET A 45 13.085 -7.602 -8.437 1.00 0.00 H new ATOM 0 HB2 MET A 45 15.180 -6.760 -10.481 1.00 0.00 H new ATOM 0 HB3 MET A 45 15.437 -7.029 -8.769 1.00 0.00 H new ATOM 0 HG2 MET A 45 15.100 -9.399 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 45 14.502 -9.225 -10.634 1.00 0.00 H new ATOM 0 HE1 MET A 45 17.776 -10.980 -11.576 1.00 0.00 H new ATOM 0 HE2 MET A 45 16.571 -11.375 -10.327 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.041 -10.780 -11.919 1.00 0.00 H new ATOM 757 N GLU A 46 11.882 -5.214 -9.395 1.00 0.00 N ATOM 758 CA GLU A 46 11.547 -3.797 -9.320 1.00 0.00 C ATOM 759 C GLU A 46 10.559 -3.501 -8.193 1.00 0.00 C ATOM 760 O GLU A 46 9.344 -3.499 -8.398 1.00 0.00 O ATOM 761 CB GLU A 46 10.990 -3.305 -10.659 1.00 0.00 C ATOM 762 CG GLU A 46 12.038 -3.217 -11.759 1.00 0.00 C ATOM 763 CD GLU A 46 13.018 -2.078 -11.544 1.00 0.00 C ATOM 764 OE1 GLU A 46 13.409 -1.824 -10.385 1.00 0.00 O ATOM 765 OE2 GLU A 46 13.402 -1.430 -12.538 1.00 0.00 O ATOM 0 H GLU A 46 11.089 -5.831 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 46 12.468 -3.258 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.193 -3.976 -10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.541 -2.322 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.586 -4.158 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.540 -3.086 -12.720 1.00 0.00 H new ATOM 772 N PRO A 47 11.070 -3.253 -6.975 1.00 0.00 N ATOM 773 CA PRO A 47 10.240 -2.852 -5.845 1.00 0.00 C ATOM 774 C PRO A 47 9.809 -1.395 -5.971 1.00 0.00 C ATOM 775 O PRO A 47 10.356 -0.660 -6.798 1.00 0.00 O ATOM 776 CB PRO A 47 11.163 -3.036 -4.642 1.00 0.00 C ATOM 777 CG PRO A 47 12.535 -2.841 -5.189 1.00 0.00 C ATOM 778 CD PRO A 47 12.498 -3.341 -6.609 1.00 0.00 C ATOM 0 HA PRO A 47 9.319 -3.431 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.942 -2.312 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.049 -4.027 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.822 -1.790 -5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.270 -3.392 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.118 -2.730 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.868 -4.364 -6.683 1.00 0.00 H new ATOM 786 N LEU A 48 8.823 -0.994 -5.163 1.00 0.00 N ATOM 787 CA LEU A 48 8.294 0.380 -5.163 1.00 0.00 C ATOM 788 C LEU A 48 7.473 0.655 -6.422 1.00 0.00 C ATOM 789 O LEU A 48 6.329 1.091 -6.335 1.00 0.00 O ATOM 790 CB LEU A 48 9.415 1.420 -5.025 1.00 0.00 C ATOM 791 CG LEU A 48 10.188 1.378 -3.705 1.00 0.00 C ATOM 792 CD1 LEU A 48 11.355 2.352 -3.745 1.00 0.00 C ATOM 793 CD2 LEU A 48 9.270 1.696 -2.534 1.00 0.00 C ATOM 0 H LEU A 48 8.367 -1.610 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 48 7.641 0.470 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.120 1.281 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.983 2.414 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 48 10.580 0.370 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.896 2.311 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.027 2.081 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.980 3.363 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.839 1.661 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.848 2.692 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.464 0.963 -2.494 1.00 0.00 H new ATOM 805 N GLU A 49 8.059 0.378 -7.581 1.00 0.00 N ATOM 806 CA GLU A 49 7.404 0.578 -8.868 1.00 0.00 C ATOM 807 C GLU A 49 6.077 -0.174 -8.921 1.00 0.00 C ATOM 808 O GLU A 49 5.051 0.378 -9.328 1.00 0.00 O ATOM 809 CB GLU A 49 8.330 0.103 -9.988 1.00 0.00 C ATOM 810 CG GLU A 49 7.809 0.379 -11.387 1.00 0.00 C ATOM 811 CD GLU A 49 8.816 0.004 -12.453 1.00 0.00 C ATOM 812 OE1 GLU A 49 9.808 0.746 -12.616 1.00 0.00 O ATOM 813 OE2 GLU A 49 8.625 -1.033 -13.116 1.00 0.00 O ATOM 0 H GLU A 49 9.006 0.007 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 49 7.195 1.640 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.300 0.587 -9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.494 -0.969 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.887 -0.180 -11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.561 1.436 -11.479 1.00 0.00 H new ATOM 820 N TRP A 50 6.107 -1.431 -8.487 1.00 0.00 N ATOM 821 CA TRP A 50 4.908 -2.254 -8.418 1.00 0.00 C ATOM 822 C TRP A 50 3.862 -1.607 -7.511 1.00 0.00 C ATOM 823 O TRP A 50 2.671 -1.652 -7.795 1.00 0.00 O ATOM 824 CB TRP A 50 5.263 -3.654 -7.906 1.00 0.00 C ATOM 825 CG TRP A 50 4.092 -4.589 -7.841 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.467 -5.196 -8.891 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.416 -5.032 -6.661 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.440 -5.987 -8.434 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.387 -5.900 -7.068 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.580 -4.774 -5.298 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.531 -6.517 -6.160 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.730 -5.386 -4.399 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.715 -6.246 -4.832 1.00 0.00 C ATOM 0 H TRP A 50 6.956 -1.903 -8.176 1.00 0.00 H new ATOM 0 HA TRP A 50 4.486 -2.339 -9.419 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.025 -4.086 -8.555 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.702 -3.567 -6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.739 -5.073 -9.929 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.819 -6.548 -9.017 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.357 -4.108 -4.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.750 -7.185 -6.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.851 -5.198 -3.342 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.064 -6.705 -4.103 1.00 0.00 H new ATOM 844 N LEU A 51 4.321 -0.996 -6.429 1.00 0.00 N ATOM 845 CA LEU A 51 3.433 -0.327 -5.485 1.00 0.00 C ATOM 846 C LEU A 51 2.786 0.899 -6.129 1.00 0.00 C ATOM 847 O LEU A 51 1.566 1.060 -6.096 1.00 0.00 O ATOM 848 CB LEU A 51 4.222 0.088 -4.237 1.00 0.00 C ATOM 849 CG LEU A 51 3.461 0.934 -3.213 1.00 0.00 C ATOM 850 CD1 LEU A 51 2.301 0.153 -2.619 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.401 1.403 -2.115 1.00 0.00 C ATOM 0 H LEU A 51 5.309 -0.949 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 51 2.643 -1.020 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.579 -0.814 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.103 0.645 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 51 3.055 1.807 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.776 0.776 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.613 -0.138 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.680 -0.740 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.847 2.004 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.833 0.538 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.199 2.004 -2.551 1.00 0.00 H new ATOM 863 N GLN A 52 3.623 1.733 -6.732 1.00 0.00 N ATOM 864 CA GLN A 52 3.193 3.010 -7.295 1.00 0.00 C ATOM 865 C GLN A 52 2.210 2.827 -8.448 1.00 0.00 C ATOM 866 O GLN A 52 1.099 3.355 -8.419 1.00 0.00 O ATOM 867 CB GLN A 52 4.416 3.785 -7.795 1.00 0.00 C ATOM 868 CG GLN A 52 5.457 4.051 -6.720 1.00 0.00 C ATOM 869 CD GLN A 52 6.814 4.411 -7.296 1.00 0.00 C ATOM 870 OE1 GLN A 52 7.170 3.988 -8.398 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.584 5.191 -6.557 1.00 0.00 N ATOM 0 H GLN A 52 4.619 1.545 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 52 2.684 3.564 -6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.881 3.226 -8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.086 4.737 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.112 4.862 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.557 3.167 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.254 5.521 -5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.508 5.463 -6.894 1.00 0.00 H new ATOM 880 N TRP A 53 2.620 2.072 -9.457 1.00 0.00 N ATOM 881 CA TRP A 53 1.868 2.008 -10.703 1.00 0.00 C ATOM 882 C TRP A 53 0.829 0.888 -10.698 1.00 0.00 C ATOM 883 O TRP A 53 -0.187 0.979 -11.385 1.00 0.00 O ATOM 884 CB TRP A 53 2.832 1.833 -11.882 1.00 0.00 C ATOM 885 CG TRP A 53 2.167 1.933 -13.225 1.00 0.00 C ATOM 886 CD1 TRP A 53 1.953 0.916 -14.112 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.621 3.113 -13.829 1.00 0.00 C ATOM 888 NE1 TRP A 53 1.310 1.392 -15.229 1.00 0.00 N ATOM 889 CE2 TRP A 53 1.093 2.735 -15.078 1.00 0.00 C ATOM 890 CE3 TRP A 53 1.522 4.451 -13.435 1.00 0.00 C ATOM 891 CZ2 TRP A 53 0.482 3.645 -15.936 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.915 5.353 -14.288 1.00 0.00 C ATOM 893 CH2 TRP A 53 0.398 4.946 -15.525 1.00 0.00 C ATOM 0 H TRP A 53 3.463 1.499 -9.439 1.00 0.00 H new ATOM 0 HA TRP A 53 1.324 2.947 -10.808 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.614 2.590 -11.816 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.320 0.862 -11.800 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.246 -0.112 -13.958 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.038 0.835 -16.039 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.913 4.774 -12.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.088 3.334 -16.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.838 6.390 -13.996 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.076 5.674 -16.166 1.00 0.00 H new ATOM 904 N VAL A 54 1.069 -0.164 -9.926 1.00 0.00 N ATOM 905 CA VAL A 54 0.194 -1.332 -9.976 1.00 0.00 C ATOM 906 C VAL A 54 -0.639 -1.493 -8.706 1.00 0.00 C ATOM 907 O VAL A 54 -1.865 -1.406 -8.750 1.00 0.00 O ATOM 908 CB VAL A 54 0.992 -2.634 -10.216 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.050 -3.823 -10.350 1.00 0.00 C ATOM 910 CG2 VAL A 54 1.878 -2.506 -11.446 1.00 0.00 C ATOM 0 H VAL A 54 1.846 -0.235 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.479 -1.157 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 54 1.635 -2.804 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.631 -4.730 -10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.533 -3.930 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.623 -3.661 -11.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.430 -3.434 -11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.259 -2.307 -12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.581 -1.685 -11.304 1.00 0.00 H new ATOM 920 N LEU A 55 0.032 -1.723 -7.581 1.00 0.00 N ATOM 921 CA LEU A 55 -0.639 -2.116 -6.344 1.00 0.00 C ATOM 922 C LEU A 55 -1.683 -1.101 -5.898 1.00 0.00 C ATOM 923 O LEU A 55 -2.842 -1.458 -5.702 1.00 0.00 O ATOM 924 CB LEU A 55 0.371 -2.343 -5.216 1.00 0.00 C ATOM 925 CG LEU A 55 -0.239 -2.858 -3.908 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.933 -4.190 -4.135 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.822 -2.986 -2.828 1.00 0.00 C ATOM 0 H LEU A 55 1.046 -1.644 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.154 -3.052 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.122 -3.056 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.889 -1.405 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.980 -2.134 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.361 -4.542 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.727 -4.066 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.210 -4.919 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.364 -3.353 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.591 -3.686 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.273 -2.011 -2.644 1.00 0.00 H new ATOM 939 N ILE A 56 -1.279 0.154 -5.731 1.00 0.00 N ATOM 940 CA ILE A 56 -2.200 1.179 -5.246 1.00 0.00 C ATOM 941 C ILE A 56 -3.428 1.317 -6.162 1.00 0.00 C ATOM 942 O ILE A 56 -4.557 1.201 -5.682 1.00 0.00 O ATOM 943 CB ILE A 56 -1.506 2.550 -5.040 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.425 2.433 -3.961 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.526 3.617 -4.658 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.344 3.717 -3.723 1.00 0.00 C ATOM 0 H ILE A 56 -0.333 0.484 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.544 0.844 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.037 2.848 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.890 2.121 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.276 1.648 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.019 4.572 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.267 3.713 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.022 3.330 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.091 3.555 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.840 4.021 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.345 4.500 -3.407 1.00 0.00 H new ATOM 958 N PRO A 57 -3.253 1.547 -7.486 1.00 0.00 N ATOM 959 CA PRO A 57 -4.387 1.607 -8.420 1.00 0.00 C ATOM 960 C PRO A 57 -5.236 0.336 -8.388 1.00 0.00 C ATOM 961 O PRO A 57 -6.465 0.403 -8.401 1.00 0.00 O ATOM 962 CB PRO A 57 -3.723 1.766 -9.789 1.00 0.00 C ATOM 963 CG PRO A 57 -2.401 2.377 -9.495 1.00 0.00 C ATOM 964 CD PRO A 57 -1.971 1.793 -8.182 1.00 0.00 C ATOM 0 HA PRO A 57 -5.072 2.417 -8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.613 0.804 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.316 2.402 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.680 2.149 -10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.475 3.463 -9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.403 0.873 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.335 2.481 -7.624 1.00 0.00 H new ATOM 972 N ARG A 58 -4.575 -0.817 -8.332 1.00 0.00 N ATOM 973 CA ARG A 58 -5.270 -2.102 -8.313 1.00 0.00 C ATOM 974 C ARG A 58 -6.126 -2.243 -7.061 1.00 0.00 C ATOM 975 O ARG A 58 -7.269 -2.697 -7.124 1.00 0.00 O ATOM 976 CB ARG A 58 -4.275 -3.259 -8.372 1.00 0.00 C ATOM 977 CG ARG A 58 -4.463 -4.159 -9.577 1.00 0.00 C ATOM 978 CD ARG A 58 -3.645 -5.429 -9.446 1.00 0.00 C ATOM 979 NE ARG A 58 -3.803 -6.304 -10.604 1.00 0.00 N ATOM 980 CZ ARG A 58 -4.677 -7.311 -10.669 1.00 0.00 C ATOM 981 NH1 ARG A 58 -5.513 -7.535 -9.660 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.720 -8.089 -11.745 1.00 0.00 N ATOM 0 H ARG A 58 -3.558 -0.888 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.915 -2.135 -9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.262 -2.856 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.370 -3.856 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.518 -4.412 -9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.170 -3.626 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.593 -5.172 -9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.946 -5.963 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.208 -6.135 -11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.487 -6.937 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.180 -8.305 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.084 -7.918 -12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.389 -8.858 -11.792 1.00 0.00 H new ATOM 996 N MET A 59 -5.563 -1.848 -5.925 1.00 0.00 N ATOM 997 CA MET A 59 -6.266 -1.934 -4.652 1.00 0.00 C ATOM 998 C MET A 59 -7.490 -1.033 -4.642 1.00 0.00 C ATOM 999 O MET A 59 -8.476 -1.331 -3.977 1.00 0.00 O ATOM 1000 CB MET A 59 -5.339 -1.584 -3.488 1.00 0.00 C ATOM 1001 CG MET A 59 -4.354 -2.689 -3.145 1.00 0.00 C ATOM 1002 SD MET A 59 -5.179 -4.225 -2.689 1.00 0.00 S ATOM 1003 CE MET A 59 -3.781 -5.313 -2.442 1.00 0.00 C ATOM 0 H MET A 59 -4.620 -1.465 -5.860 1.00 0.00 H new ATOM 0 HA MET A 59 -6.598 -2.965 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.785 -0.678 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.942 -1.360 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.702 -2.869 -4.000 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.718 -2.363 -2.322 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.115 -6.229 -1.954 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.335 -5.557 -3.406 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.040 -4.817 -1.815 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.431 0.064 -5.391 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.589 0.938 -5.535 1.00 0.00 C ATOM 1015 C HIS A 60 -9.764 0.158 -6.114 1.00 0.00 C ATOM 1016 O HIS A 60 -10.832 0.105 -5.513 1.00 0.00 O ATOM 1017 CB HIS A 60 -8.270 2.147 -6.419 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.636 3.287 -5.682 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.353 4.364 -5.219 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.349 3.525 -5.340 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.540 5.214 -4.625 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.313 4.732 -4.683 1.00 0.00 N ATOM 0 H HIS A 60 -6.602 0.366 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.856 1.309 -4.545 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.605 1.832 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.191 2.496 -6.886 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.504 2.884 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.829 6.148 -4.167 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.478 5.180 -4.304 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.550 -0.479 -7.263 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.593 -1.284 -7.899 1.00 0.00 C ATOM 1033 C ASP A 61 -11.050 -2.416 -6.983 1.00 0.00 C ATOM 1034 O ASP A 61 -12.233 -2.752 -6.940 1.00 0.00 O ATOM 1035 CB ASP A 61 -10.108 -1.863 -9.232 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.286 -0.901 -10.391 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -11.381 -0.890 -10.994 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -9.332 -0.163 -10.712 1.00 0.00 O ATOM 0 H ASP A 61 -8.667 -0.454 -7.772 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.439 -0.624 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.055 -2.129 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.653 -2.783 -9.443 1.00 0.00 H new ATOM 1043 N LEU A 62 -10.106 -2.999 -6.252 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.416 -4.068 -5.305 1.00 0.00 C ATOM 1045 C LEU A 62 -11.367 -3.564 -4.221 1.00 0.00 C ATOM 1046 O LEU A 62 -12.387 -4.188 -3.932 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.129 -4.591 -4.654 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.304 -5.792 -3.718 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.433 -7.086 -4.510 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.147 -5.875 -2.738 1.00 0.00 C ATOM 0 H LEU A 62 -9.118 -2.750 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.898 -4.879 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.429 -4.866 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.671 -3.778 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.225 -5.651 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.556 -7.923 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.301 -7.026 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.535 -7.237 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.287 -6.733 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.212 -5.988 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.110 -4.964 -2.141 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.031 -2.416 -3.646 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.794 -1.841 -2.544 1.00 0.00 C ATOM 1064 C LEU A 63 -13.119 -1.258 -3.020 1.00 0.00 C ATOM 1065 O LEU A 63 -14.116 -1.305 -2.300 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.961 -0.766 -1.849 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.656 -1.274 -1.240 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.752 -0.114 -0.870 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.942 -2.140 -0.022 1.00 0.00 C ATOM 0 H LEU A 63 -10.225 -1.859 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.023 -2.639 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.730 0.019 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.562 -0.310 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.142 -1.883 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.827 -0.497 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.522 0.467 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.256 0.523 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.002 -2.495 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.477 -1.553 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.552 -2.994 -0.318 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.127 -0.711 -4.231 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.353 -0.184 -4.829 1.00 0.00 C ATOM 1083 C ASP A 64 -15.357 -1.301 -5.076 1.00 0.00 C ATOM 1084 O ASP A 64 -16.564 -1.070 -5.118 1.00 0.00 O ATOM 1085 CB ASP A 64 -14.053 0.549 -6.140 1.00 0.00 C ATOM 1086 CG ASP A 64 -13.674 2.003 -5.928 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -14.586 2.856 -5.883 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -12.468 2.311 -5.829 1.00 0.00 O ATOM 0 H ASP A 64 -12.299 -0.620 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.786 0.527 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.241 0.039 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.928 0.497 -6.788 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.849 -2.516 -5.232 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.699 -3.693 -5.373 1.00 0.00 C ATOM 1095 C ASN A 65 -15.870 -4.385 -4.027 1.00 0.00 C ATOM 1096 O ASN A 65 -16.474 -5.454 -3.937 1.00 0.00 O ATOM 1097 CB ASN A 65 -15.114 -4.673 -6.395 1.00 0.00 C ATOM 1098 CG ASN A 65 -15.354 -4.238 -7.828 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -16.374 -4.580 -8.427 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -14.419 -3.487 -8.392 1.00 0.00 N ATOM 0 H ASN A 65 -13.849 -2.714 -5.264 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.674 -3.364 -5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.042 -4.772 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.554 -5.658 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.531 -3.172 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.588 -3.224 -7.863 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.332 -3.747 -2.987 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.361 -4.255 -1.617 1.00 0.00 C ATOM 1109 C LYS A 66 -14.487 -5.496 -1.465 1.00 0.00 C ATOM 1110 O LYS A 66 -13.380 -5.411 -0.929 1.00 0.00 O ATOM 1111 CB LYS A 66 -16.796 -4.532 -1.150 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.671 -3.287 -1.125 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.042 -3.579 -0.538 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.927 -2.339 -0.530 1.00 0.00 C ATOM 1115 NZ LYS A 66 -20.240 -1.867 -1.905 1.00 0.00 N ATOM 0 H LYS A 66 -14.857 -2.849 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.949 -3.477 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.249 -5.273 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.768 -4.968 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.182 -2.509 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.783 -2.900 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.525 -4.367 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.930 -3.953 0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.855 -2.560 -0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.429 -1.542 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.986 -1.144 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.386 -1.458 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.567 -2.669 -2.481 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.989 -6.635 -1.939 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.275 -7.915 -1.872 1.00 0.00 C ATOM 1131 C GLN A 67 -14.097 -8.379 -0.419 1.00 0.00 C ATOM 1132 O GLN A 67 -14.263 -7.596 0.520 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.914 -7.806 -2.578 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.021 -7.457 -4.058 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.638 -8.566 -4.891 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.315 -8.309 -5.889 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -13.389 -9.807 -4.505 1.00 0.00 N ATOM 0 H GLN A 67 -15.905 -6.699 -2.382 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.876 -8.664 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.314 -7.047 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.383 -8.752 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.619 -6.552 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.027 -7.231 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.824 -9.979 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.762 -10.592 -5.039 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.795 -9.670 -0.204 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.520 -10.202 1.135 1.00 0.00 C ATOM 1148 C PRO A 68 -12.151 -9.774 1.652 1.00 0.00 C ATOM 1149 O PRO A 68 -11.862 -9.909 2.839 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.560 -11.728 0.947 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.088 -11.954 -0.434 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.738 -10.726 -1.220 1.00 0.00 C ATOM 0 HA PRO A 68 -14.240 -9.835 1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.567 -12.162 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.202 -12.197 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.642 -12.843 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.166 -12.112 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.749 -10.802 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.445 -10.548 -2.030 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.326 -9.259 0.734 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.953 -8.829 1.026 1.00 0.00 C ATOM 1162 C LEU A 69 -9.038 -10.012 1.323 1.00 0.00 C ATOM 1163 O LEU A 69 -9.420 -10.957 2.018 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.892 -7.825 2.186 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.431 -6.428 1.878 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.131 -5.482 3.031 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.837 -5.895 0.582 1.00 0.00 C ATOM 0 H LEU A 69 -11.594 -9.128 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.598 -8.331 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.452 -8.234 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.855 -7.732 2.509 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.512 -6.495 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.520 -4.491 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.604 -5.854 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.053 -5.423 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.234 -4.900 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.752 -5.841 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.099 -6.562 -0.240 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.818 -9.981 0.768 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.795 -10.980 1.065 1.00 0.00 C ATOM 1181 C PRO A 70 -6.229 -10.775 2.470 1.00 0.00 C ATOM 1182 O PRO A 70 -5.439 -9.859 2.709 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.734 -10.730 -0.011 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.883 -9.291 -0.367 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.340 -8.962 -0.186 1.00 0.00 C ATOM 0 HA PRO A 70 -7.173 -12.002 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.733 -10.943 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.892 -11.370 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.260 -8.665 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.568 -9.110 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.476 -7.954 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.882 -9.014 -1.131 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.649 -11.628 3.394 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.335 -11.429 4.798 1.00 0.00 C ATOM 1195 C GLY A 71 -4.890 -11.729 5.136 1.00 0.00 C ATOM 1196 O GLY A 71 -4.392 -11.315 6.184 1.00 0.00 O ATOM 0 H GLY A 71 -7.205 -12.460 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.558 -10.398 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.982 -12.065 5.402 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.210 -12.443 4.254 1.00 0.00 N ATOM 1201 CA ALA A 72 -2.824 -12.816 4.490 1.00 0.00 C ATOM 1202 C ALA A 72 -1.892 -12.072 3.542 1.00 0.00 C ATOM 1203 O ALA A 72 -0.798 -12.541 3.231 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.649 -14.322 4.349 1.00 0.00 C ATOM 0 H ALA A 72 -4.594 -12.776 3.369 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.561 -12.532 5.509 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.607 -14.586 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.282 -14.831 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.933 -14.629 3.342 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.327 -10.906 3.092 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.518 -10.078 2.215 1.00 0.00 C ATOM 1212 C PHE A 73 -0.748 -9.049 3.035 1.00 0.00 C ATOM 1213 O PHE A 73 -1.342 -8.283 3.791 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.409 -9.382 1.182 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.653 -8.587 0.157 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.016 -9.220 -0.898 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.584 -7.207 0.246 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.324 -8.492 -1.846 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.893 -6.472 -0.698 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.263 -7.116 -1.746 1.00 0.00 C ATOM 0 H PHE A 73 -3.239 -10.511 3.321 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.803 -10.709 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.011 -10.134 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.101 -8.720 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.061 -10.296 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.076 -6.699 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.168 -8.998 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.845 -5.396 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.277 -6.544 -2.486 1.00 0.00 H new ATOM 1230 N ALA A 74 0.571 -9.056 2.901 1.00 0.00 N ATOM 1231 CA ALA A 74 1.420 -8.130 3.634 1.00 0.00 C ATOM 1232 C ALA A 74 2.577 -7.649 2.764 1.00 0.00 C ATOM 1233 O ALA A 74 3.310 -8.458 2.187 1.00 0.00 O ATOM 1234 CB ALA A 74 1.946 -8.791 4.899 1.00 0.00 C ATOM 0 H ALA A 74 1.077 -9.696 2.289 1.00 0.00 H new ATOM 0 HA ALA A 74 0.822 -7.262 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.580 -8.089 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.108 -9.084 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.527 -9.674 4.633 1.00 0.00 H new ATOM 1240 N VAL A 75 2.734 -6.336 2.662 1.00 0.00 N ATOM 1241 CA VAL A 75 3.791 -5.755 1.839 1.00 0.00 C ATOM 1242 C VAL A 75 4.955 -5.241 2.682 1.00 0.00 C ATOM 1243 O VAL A 75 6.096 -5.207 2.217 1.00 0.00 O ATOM 1244 CB VAL A 75 3.267 -4.606 0.950 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.288 -5.136 -0.083 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.618 -3.514 1.788 1.00 0.00 C ATOM 0 H VAL A 75 2.145 -5.652 3.137 1.00 0.00 H new ATOM 0 HA VAL A 75 4.147 -6.563 1.200 1.00 0.00 H new ATOM 0 HB VAL A 75 4.120 -4.169 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.929 -4.312 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.787 -5.872 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.444 -5.605 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.259 -2.719 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.780 -3.933 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.350 -3.107 2.486 1.00 0.00 H new ATOM 1256 N ALA A 76 4.671 -4.857 3.923 1.00 0.00 N ATOM 1257 CA ALA A 76 5.687 -4.272 4.797 1.00 0.00 C ATOM 1258 C ALA A 76 6.905 -5.187 4.994 1.00 0.00 C ATOM 1259 O ALA A 76 8.039 -4.735 4.821 1.00 0.00 O ATOM 1260 CB ALA A 76 5.087 -3.889 6.138 1.00 0.00 C ATOM 0 H ALA A 76 3.747 -4.940 4.347 1.00 0.00 H new ATOM 0 HA ALA A 76 6.046 -3.373 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.860 -3.456 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.292 -3.159 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.677 -4.777 6.620 1.00 0.00 H new ATOM 1266 N PRO A 77 6.714 -6.481 5.355 1.00 0.00 N ATOM 1267 CA PRO A 77 7.832 -7.414 5.553 1.00 0.00 C ATOM 1268 C PRO A 77 8.711 -7.541 4.311 1.00 0.00 C ATOM 1269 O PRO A 77 9.910 -7.792 4.411 1.00 0.00 O ATOM 1270 CB PRO A 77 7.154 -8.755 5.864 1.00 0.00 C ATOM 1271 CG PRO A 77 5.740 -8.592 5.429 1.00 0.00 C ATOM 1272 CD PRO A 77 5.420 -7.138 5.616 1.00 0.00 C ATOM 0 HA PRO A 77 8.498 -7.072 6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.638 -9.573 5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.214 -8.989 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.614 -8.889 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.074 -9.218 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.649 -6.801 4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.057 -6.930 6.623 1.00 0.00 H new ATOM 1280 N TYR A 78 8.115 -7.347 3.141 1.00 0.00 N ATOM 1281 CA TYR A 78 8.858 -7.432 1.893 1.00 0.00 C ATOM 1282 C TYR A 78 9.691 -6.171 1.684 1.00 0.00 C ATOM 1283 O TYR A 78 10.871 -6.242 1.333 1.00 0.00 O ATOM 1284 CB TYR A 78 7.901 -7.637 0.714 1.00 0.00 C ATOM 1285 CG TYR A 78 8.595 -7.733 -0.626 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.178 -8.921 -1.045 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.669 -6.632 -1.473 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.815 -9.013 -2.266 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.303 -6.715 -2.695 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.876 -7.908 -3.088 1.00 0.00 C ATOM 1291 OH TYR A 78 10.510 -7.995 -4.305 1.00 0.00 O ATOM 0 H TYR A 78 7.124 -7.131 3.032 1.00 0.00 H new ATOM 0 HA TYR A 78 9.530 -8.288 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.325 -8.547 0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.191 -6.810 0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.132 -9.789 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.223 -5.697 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.263 -9.946 -2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.351 -5.851 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 78 10.463 -7.129 -4.761 1.00 0.00 H new ATOM 1301 N TYR A 79 9.079 -5.020 1.927 1.00 0.00 N ATOM 1302 CA TYR A 79 9.744 -3.744 1.703 1.00 0.00 C ATOM 1303 C TYR A 79 10.800 -3.457 2.763 1.00 0.00 C ATOM 1304 O TYR A 79 11.633 -2.573 2.584 1.00 0.00 O ATOM 1305 CB TYR A 79 8.727 -2.607 1.629 1.00 0.00 C ATOM 1306 CG TYR A 79 8.065 -2.505 0.273 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.644 -1.748 -0.737 1.00 0.00 C ATOM 1308 CD2 TYR A 79 6.878 -3.171 -0.004 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.060 -1.657 -1.982 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.286 -3.082 -1.250 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.882 -2.323 -2.234 1.00 0.00 C ATOM 1312 OH TYR A 79 6.303 -2.235 -3.479 1.00 0.00 O ATOM 0 H TYR A 79 8.125 -4.944 2.279 1.00 0.00 H new ATOM 0 HA TYR A 79 10.258 -3.812 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.963 -2.758 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.224 -1.664 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.567 -1.222 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.411 -3.767 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.525 -1.065 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.362 -3.604 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 79 5.478 -2.763 -3.494 1.00 0.00 H new ATOM 1322 N GLU A 80 10.783 -4.208 3.856 1.00 0.00 N ATOM 1323 CA GLU A 80 11.828 -4.078 4.863 1.00 0.00 C ATOM 1324 C GLU A 80 13.142 -4.636 4.319 1.00 0.00 C ATOM 1325 O GLU A 80 14.224 -4.327 4.817 1.00 0.00 O ATOM 1326 CB GLU A 80 11.453 -4.805 6.155 1.00 0.00 C ATOM 1327 CG GLU A 80 12.337 -4.412 7.327 1.00 0.00 C ATOM 1328 CD GLU A 80 12.293 -5.401 8.469 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.338 -5.353 9.269 1.00 0.00 O ATOM 1330 OE2 GLU A 80 13.233 -6.216 8.582 1.00 0.00 O ATOM 0 H GLU A 80 10.068 -4.904 4.067 1.00 0.00 H new ATOM 0 HA GLU A 80 11.945 -3.019 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.413 -4.588 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.525 -5.881 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.366 -4.314 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.029 -3.432 7.692 1.00 0.00 H new ATOM 1337 N MET A 81 13.034 -5.464 3.290 1.00 0.00 N ATOM 1338 CA MET A 81 14.206 -6.038 2.645 1.00 0.00 C ATOM 1339 C MET A 81 14.527 -5.275 1.368 1.00 0.00 C ATOM 1340 O MET A 81 15.690 -5.087 1.014 1.00 0.00 O ATOM 1341 CB MET A 81 13.956 -7.507 2.304 1.00 0.00 C ATOM 1342 CG MET A 81 13.563 -8.367 3.493 1.00 0.00 C ATOM 1343 SD MET A 81 13.152 -10.057 3.007 1.00 0.00 S ATOM 1344 CE MET A 81 11.853 -9.750 1.812 1.00 0.00 C ATOM 0 H MET A 81 12.145 -5.754 2.883 1.00 0.00 H new ATOM 0 HA MET A 81 15.048 -5.965 3.333 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.168 -7.564 1.553 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.857 -7.922 1.853 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.382 -8.387 4.212 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.707 -7.918 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.024 -10.435 1.992 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.503 -8.723 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.241 -9.906 0.805 1.00 0.00 H new ATOM 1354 N ALA A 82 13.478 -4.833 0.684 1.00 0.00 N ATOM 1355 CA ALA A 82 13.620 -4.185 -0.613 1.00 0.00 C ATOM 1356 C ALA A 82 14.050 -2.725 -0.483 1.00 0.00 C ATOM 1357 O ALA A 82 14.647 -2.162 -1.403 1.00 0.00 O ATOM 1358 CB ALA A 82 12.315 -4.283 -1.389 1.00 0.00 C ATOM 0 H ALA A 82 12.515 -4.913 1.009 1.00 0.00 H new ATOM 0 HA ALA A 82 14.407 -4.707 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.430 -3.796 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.058 -5.332 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.520 -3.791 -0.828 1.00 0.00 H new ATOM 1364 N LEU A 83 13.741 -2.110 0.650 1.00 0.00 N ATOM 1365 CA LEU A 83 14.079 -0.712 0.873 1.00 0.00 C ATOM 1366 C LEU A 83 15.351 -0.601 1.710 1.00 0.00 C ATOM 1367 O LEU A 83 15.653 -1.493 2.506 1.00 0.00 O ATOM 1368 CB LEU A 83 12.918 0.017 1.560 1.00 0.00 C ATOM 1369 CG LEU A 83 13.057 1.539 1.659 1.00 0.00 C ATOM 1370 CD1 LEU A 83 13.152 2.161 0.272 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.884 2.129 2.425 1.00 0.00 C ATOM 0 H LEU A 83 13.257 -2.557 1.429 1.00 0.00 H new ATOM 0 HA LEU A 83 14.258 -0.240 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.999 -0.211 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.805 -0.386 2.567 1.00 0.00 H new ATOM 0 HG LEU A 83 13.976 1.765 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.250 3.243 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.023 1.761 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.251 1.926 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.997 3.211 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.955 1.890 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.858 1.709 3.430 1.00 0.00 H new ATOM 1383 N ALA A 84 16.081 0.499 1.514 1.00 0.00 N ATOM 1384 CA ALA A 84 17.358 0.746 2.187 1.00 0.00 C ATOM 1385 C ALA A 84 17.300 0.435 3.680 1.00 0.00 C ATOM 1386 O ALA A 84 16.595 1.099 4.442 1.00 0.00 O ATOM 1387 CB ALA A 84 17.790 2.188 1.970 1.00 0.00 C ATOM 0 H ALA A 84 15.801 1.248 0.880 1.00 0.00 H new ATOM 0 HA ALA A 84 18.092 0.071 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 84 18.741 2.363 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 84 17.905 2.377 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.034 2.859 2.378 1.00 0.00 H new ATOM 1393 N THR A 85 18.063 -0.568 4.085 1.00 0.00 N ATOM 1394 CA THR A 85 18.074 -1.035 5.460 1.00 0.00 C ATOM 1395 C THR A 85 18.771 -0.042 6.384 1.00 0.00 C ATOM 1396 O THR A 85 18.418 0.088 7.558 1.00 0.00 O ATOM 1397 CB THR A 85 18.781 -2.401 5.548 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.972 -2.384 4.746 1.00 0.00 O ATOM 1399 CG2 THR A 85 17.864 -3.523 5.084 1.00 0.00 C ATOM 0 H THR A 85 18.692 -1.081 3.468 1.00 0.00 H new ATOM 0 HA THR A 85 17.038 -1.133 5.784 1.00 0.00 H new ATOM 0 HB THR A 85 19.044 -2.583 6.590 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.419 -3.254 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.389 -4.476 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.975 -3.550 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.571 -3.349 4.049 1.00 0.00 H new ATOM 1407 N ASP A 86 19.749 0.667 5.839 1.00 0.00 N ATOM 1408 CA ASP A 86 20.556 1.598 6.611 1.00 0.00 C ATOM 1409 C ASP A 86 19.965 3.000 6.589 1.00 0.00 C ATOM 1410 O ASP A 86 20.670 3.983 6.810 1.00 0.00 O ATOM 1411 CB ASP A 86 21.974 1.627 6.055 1.00 0.00 C ATOM 1412 CG ASP A 86 22.732 0.349 6.334 1.00 0.00 C ATOM 1413 OD1 ASP A 86 23.351 0.246 7.415 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.720 -0.552 5.470 1.00 0.00 O ATOM 0 H ASP A 86 20.004 0.613 4.853 1.00 0.00 H new ATOM 0 HA ASP A 86 20.570 1.257 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.935 1.795 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.514 2.468 6.490 1.00 0.00 H new ATOM 1419 N HIS A 87 18.670 3.091 6.338 1.00 0.00 N ATOM 1420 CA HIS A 87 17.993 4.378 6.316 1.00 0.00 C ATOM 1421 C HIS A 87 16.829 4.365 7.306 1.00 0.00 C ATOM 1422 O HIS A 87 15.705 4.037 6.938 1.00 0.00 O ATOM 1423 CB HIS A 87 17.504 4.698 4.898 1.00 0.00 C ATOM 1424 CG HIS A 87 17.192 6.148 4.668 1.00 0.00 C ATOM 1425 ND1 HIS A 87 18.152 7.073 4.325 1.00 0.00 N ATOM 1426 CD2 HIS A 87 16.022 6.829 4.719 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.591 8.256 4.173 1.00 0.00 C ATOM 1428 NE2 HIS A 87 16.297 8.138 4.406 1.00 0.00 N ATOM 0 H HIS A 87 18.067 2.291 6.147 1.00 0.00 H new ATOM 0 HA HIS A 87 18.694 5.158 6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.265 4.384 4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.611 4.108 4.692 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.053 6.419 4.961 1.00 0.00 H new ATOM 0 HE1 HIS A 87 18.103 9.168 3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.614 8.894 4.361 1.00 0.00 H new ATOM 1437 N PRO A 88 17.105 4.694 8.581 1.00 0.00 N ATOM 1438 CA PRO A 88 16.114 4.648 9.677 1.00 0.00 C ATOM 1439 C PRO A 88 14.802 5.378 9.376 1.00 0.00 C ATOM 1440 O PRO A 88 13.755 5.025 9.922 1.00 0.00 O ATOM 1441 CB PRO A 88 16.842 5.331 10.835 1.00 0.00 C ATOM 1442 CG PRO A 88 18.280 5.076 10.565 1.00 0.00 C ATOM 1443 CD PRO A 88 18.431 5.117 9.071 1.00 0.00 C ATOM 0 HA PRO A 88 15.802 3.622 9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.626 6.399 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.538 4.916 11.796 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.907 5.830 11.042 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.587 4.108 10.962 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.689 6.116 8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.219 4.446 8.728 1.00 0.00 H new ATOM 1451 N GLN A 89 14.847 6.384 8.504 1.00 0.00 N ATOM 1452 CA GLN A 89 13.641 7.131 8.140 1.00 0.00 C ATOM 1453 C GLN A 89 12.642 6.256 7.380 1.00 0.00 C ATOM 1454 O GLN A 89 11.510 6.673 7.129 1.00 0.00 O ATOM 1455 CB GLN A 89 13.984 8.356 7.290 1.00 0.00 C ATOM 1456 CG GLN A 89 14.778 9.423 8.025 1.00 0.00 C ATOM 1457 CD GLN A 89 15.000 10.654 7.170 1.00 0.00 C ATOM 1458 OE1 GLN A 89 15.072 10.567 5.943 1.00 0.00 O ATOM 1459 NE2 GLN A 89 15.132 11.806 7.805 1.00 0.00 N ATOM 0 H GLN A 89 15.698 6.700 8.039 1.00 0.00 H new ATOM 0 HA GLN A 89 13.183 7.458 9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.553 8.032 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.059 8.798 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.250 9.705 8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.742 9.014 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.066 11.838 8.822 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.300 12.663 7.278 1.00 0.00 H new ATOM 1468 N ARG A 90 13.064 5.048 7.008 1.00 0.00 N ATOM 1469 CA ARG A 90 12.193 4.111 6.308 1.00 0.00 C ATOM 1470 C ARG A 90 11.095 3.608 7.238 1.00 0.00 C ATOM 1471 O ARG A 90 10.063 3.121 6.778 1.00 0.00 O ATOM 1472 CB ARG A 90 12.993 2.919 5.777 1.00 0.00 C ATOM 1473 CG ARG A 90 13.442 1.951 6.862 1.00 0.00 C ATOM 1474 CD ARG A 90 14.172 0.759 6.277 1.00 0.00 C ATOM 1475 NE ARG A 90 14.483 -0.242 7.293 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.776 -1.508 7.024 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.839 -1.920 5.765 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.014 -2.355 8.018 1.00 0.00 N ATOM 0 H ARG A 90 14.006 4.697 7.181 1.00 0.00 H new ATOM 0 HA ARG A 90 11.741 4.638 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.385 2.380 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.871 3.289 5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.094 2.469 7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.575 1.607 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.560 0.306 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.095 1.095 5.804 1.00 0.00 H new ATOM 0 HE ARG A 90 14.475 0.050 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.662 -1.264 5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.064 -2.893 5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.971 -2.032 8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.240 -3.329 7.815 1.00 0.00 H new ATOM 1492 N ALA A 91 11.328 3.735 8.544 1.00 0.00 N ATOM 1493 CA ALA A 91 10.382 3.269 9.552 1.00 0.00 C ATOM 1494 C ALA A 91 9.015 3.912 9.357 1.00 0.00 C ATOM 1495 O ALA A 91 7.989 3.280 9.579 1.00 0.00 O ATOM 1496 CB ALA A 91 10.907 3.561 10.950 1.00 0.00 C ATOM 0 H ALA A 91 12.171 4.161 8.929 1.00 0.00 H new ATOM 0 HA ALA A 91 10.271 2.191 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.189 3.207 11.690 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.859 3.050 11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.050 4.635 11.068 1.00 0.00 H new ATOM 1502 N LEU A 92 9.013 5.165 8.917 1.00 0.00 N ATOM 1503 CA LEU A 92 7.775 5.897 8.684 1.00 0.00 C ATOM 1504 C LEU A 92 6.971 5.247 7.563 1.00 0.00 C ATOM 1505 O LEU A 92 5.746 5.147 7.635 1.00 0.00 O ATOM 1506 CB LEU A 92 8.087 7.350 8.328 1.00 0.00 C ATOM 1507 CG LEU A 92 8.957 8.088 9.349 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.245 9.506 8.881 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.284 8.104 10.710 1.00 0.00 C ATOM 0 H LEU A 92 9.859 5.697 8.714 1.00 0.00 H new ATOM 0 HA LEU A 92 7.180 5.872 9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.588 7.373 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.148 7.891 8.213 1.00 0.00 H new ATOM 0 HG LEU A 92 9.904 7.557 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.864 10.014 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.771 9.474 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.306 10.047 8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.917 8.633 11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.322 8.610 10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.130 7.080 11.052 1.00 0.00 H new ATOM 1521 N ILE A 93 7.677 4.787 6.538 1.00 0.00 N ATOM 1522 CA ILE A 93 7.043 4.152 5.395 1.00 0.00 C ATOM 1523 C ILE A 93 6.586 2.747 5.763 1.00 0.00 C ATOM 1524 O ILE A 93 5.463 2.348 5.458 1.00 0.00 O ATOM 1525 CB ILE A 93 8.002 4.086 4.185 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.498 5.491 3.824 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.312 3.441 2.991 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.508 5.512 2.696 1.00 0.00 C ATOM 0 H ILE A 93 8.694 4.843 6.477 1.00 0.00 H new ATOM 0 HA ILE A 93 6.179 4.755 5.115 1.00 0.00 H new ATOM 0 HB ILE A 93 8.861 3.473 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.643 6.107 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.945 5.947 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.003 3.403 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.003 2.429 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.436 4.028 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.811 6.540 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.381 4.924 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.059 5.087 1.798 1.00 0.00 H new ATOM 1540 N LEU A 94 7.458 2.010 6.444 1.00 0.00 N ATOM 1541 CA LEU A 94 7.147 0.650 6.863 1.00 0.00 C ATOM 1542 C LEU A 94 5.970 0.636 7.834 1.00 0.00 C ATOM 1543 O LEU A 94 5.118 -0.248 7.767 1.00 0.00 O ATOM 1544 CB LEU A 94 8.370 -0.010 7.506 1.00 0.00 C ATOM 1545 CG LEU A 94 9.575 -0.195 6.581 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.733 -0.831 7.335 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.197 -1.040 5.371 1.00 0.00 C ATOM 0 H LEU A 94 8.386 2.333 6.717 1.00 0.00 H new ATOM 0 HA LEU A 94 6.869 0.081 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.679 0.590 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.075 -0.986 7.891 1.00 0.00 H new ATOM 0 HG LEU A 94 9.891 0.787 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.581 -0.955 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.021 -0.189 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.427 -1.805 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.067 -1.160 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.854 -2.020 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.399 -0.545 4.817 1.00 0.00 H new ATOM 1559 N ALA A 95 5.922 1.622 8.724 1.00 0.00 N ATOM 1560 CA ALA A 95 4.819 1.745 9.668 1.00 0.00 C ATOM 1561 C ALA A 95 3.500 1.937 8.933 1.00 0.00 C ATOM 1562 O ALA A 95 2.504 1.285 9.249 1.00 0.00 O ATOM 1563 CB ALA A 95 5.060 2.899 10.630 1.00 0.00 C ATOM 0 H ALA A 95 6.634 2.347 8.811 1.00 0.00 H new ATOM 0 HA ALA A 95 4.763 0.821 10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.224 2.973 11.326 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.981 2.723 11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.148 3.829 10.068 1.00 0.00 H new ATOM 1569 N GLU A 96 3.505 2.823 7.942 1.00 0.00 N ATOM 1570 CA GLU A 96 2.318 3.075 7.136 1.00 0.00 C ATOM 1571 C GLU A 96 1.919 1.802 6.381 1.00 0.00 C ATOM 1572 O GLU A 96 0.736 1.487 6.251 1.00 0.00 O ATOM 1573 CB GLU A 96 2.585 4.217 6.149 1.00 0.00 C ATOM 1574 CG GLU A 96 1.327 4.813 5.530 1.00 0.00 C ATOM 1575 CD GLU A 96 0.591 5.769 6.455 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.157 6.177 7.488 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.565 6.126 6.147 1.00 0.00 O ATOM 0 H GLU A 96 4.319 3.378 7.679 1.00 0.00 H new ATOM 0 HA GLU A 96 1.498 3.366 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.133 5.007 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.230 3.849 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.597 5.340 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.654 4.005 5.245 1.00 0.00 H new ATOM 1584 N LEU A 97 2.921 1.065 5.903 1.00 0.00 N ATOM 1585 CA LEU A 97 2.691 -0.199 5.202 1.00 0.00 C ATOM 1586 C LEU A 97 2.082 -1.245 6.133 1.00 0.00 C ATOM 1587 O LEU A 97 1.088 -1.877 5.792 1.00 0.00 O ATOM 1588 CB LEU A 97 3.998 -0.734 4.608 1.00 0.00 C ATOM 1589 CG LEU A 97 4.617 0.124 3.503 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.939 -0.473 3.050 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.662 0.253 2.325 1.00 0.00 C ATOM 0 H LEU A 97 3.904 1.323 5.989 1.00 0.00 H new ATOM 0 HA LEU A 97 1.986 -0.002 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.726 -0.841 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.814 -1.732 4.210 1.00 0.00 H new ATOM 0 HG LEU A 97 4.803 1.120 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.368 0.148 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.627 -0.516 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.771 -1.480 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.121 0.867 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.445 -0.736 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.735 0.721 2.657 1.00 0.00 H new ATOM 1603 N GLU A 98 2.683 -1.420 7.310 1.00 0.00 N ATOM 1604 CA GLU A 98 2.172 -2.362 8.306 1.00 0.00 C ATOM 1605 C GLU A 98 0.742 -2.014 8.691 1.00 0.00 C ATOM 1606 O GLU A 98 -0.095 -2.890 8.899 1.00 0.00 O ATOM 1607 CB GLU A 98 3.054 -2.355 9.554 1.00 0.00 C ATOM 1608 CG GLU A 98 4.422 -2.972 9.338 1.00 0.00 C ATOM 1609 CD GLU A 98 5.311 -2.870 10.557 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.783 -2.728 11.684 1.00 0.00 O ATOM 1611 OE2 GLU A 98 6.546 -2.926 10.393 1.00 0.00 O ATOM 0 H GLU A 98 3.525 -0.921 7.597 1.00 0.00 H new ATOM 0 HA GLU A 98 2.187 -3.358 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.179 -1.327 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.544 -2.895 10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.303 -4.021 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.909 -2.479 8.497 1.00 0.00 H new ATOM 1618 N LYS A 99 0.478 -0.720 8.777 1.00 0.00 N ATOM 1619 CA LYS A 99 -0.848 -0.213 9.082 1.00 0.00 C ATOM 1620 C LYS A 99 -1.841 -0.630 7.995 1.00 0.00 C ATOM 1621 O LYS A 99 -2.994 -0.949 8.283 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.768 1.308 9.220 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.087 2.005 9.509 1.00 0.00 C ATOM 1624 CD LYS A 99 -1.846 3.444 9.949 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.914 4.176 8.995 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.532 5.522 9.499 1.00 0.00 N ATOM 0 H LYS A 99 1.178 0.008 8.637 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.206 -0.635 10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.067 1.547 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.353 1.718 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.715 1.991 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.627 1.466 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.798 3.972 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.419 3.451 10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.015 3.580 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.399 4.278 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.285 5.875 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.332 6.176 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.281 5.457 10.506 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.370 -0.651 6.753 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.171 -1.116 5.625 1.00 0.00 C ATOM 1642 C LEU A 100 -2.372 -2.630 5.696 1.00 0.00 C ATOM 1643 O LEU A 100 -3.499 -3.126 5.583 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.490 -0.731 4.306 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.189 -1.214 3.031 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.582 -0.617 2.921 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.358 -0.861 1.805 1.00 0.00 C ATOM 0 H LEU A 100 -0.429 -0.349 6.500 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.150 -0.638 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.408 0.355 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.474 -1.127 4.314 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.287 -2.298 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.060 -0.974 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.176 -0.919 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.511 0.470 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.868 -1.211 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.229 0.220 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.381 -1.339 1.877 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.273 -3.356 5.896 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.312 -4.817 6.012 1.00 0.00 C ATOM 1661 C ASP A 101 -2.295 -5.247 7.096 1.00 0.00 C ATOM 1662 O ASP A 101 -3.027 -6.224 6.941 1.00 0.00 O ATOM 1663 CB ASP A 101 0.079 -5.382 6.339 1.00 0.00 C ATOM 1664 CG ASP A 101 1.099 -5.186 5.231 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.706 -5.086 4.055 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.311 -5.153 5.538 1.00 0.00 O ATOM 0 H ASP A 101 -0.339 -2.956 5.982 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.639 -5.212 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.449 -4.907 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.013 -6.447 6.551 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.309 -4.502 8.195 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.212 -4.780 9.302 1.00 0.00 C ATOM 1673 C ALA A 102 -4.667 -4.602 8.880 1.00 0.00 C ATOM 1674 O ALA A 102 -5.544 -5.326 9.342 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.891 -3.879 10.484 1.00 0.00 C ATOM 0 H ALA A 102 -1.701 -3.696 8.342 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.071 -5.818 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.574 -4.098 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.866 -4.056 10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.003 -2.836 10.187 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.913 -3.644 7.988 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.262 -3.370 7.503 1.00 0.00 C ATOM 1683 C LEU A 103 -6.814 -4.557 6.721 1.00 0.00 C ATOM 1684 O LEU A 103 -8.009 -4.850 6.788 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.276 -2.122 6.619 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.921 -0.814 7.325 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.833 0.322 6.317 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.945 -0.488 8.401 1.00 0.00 C ATOM 0 H LEU A 103 -4.193 -3.044 7.586 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.896 -3.198 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.577 -2.272 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.268 -2.020 6.179 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.949 -0.935 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.579 1.248 6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.063 0.095 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.793 0.438 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.673 0.447 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.930 -0.386 7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.967 -1.291 9.138 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.939 -5.239 5.984 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.335 -6.434 5.233 1.00 0.00 C ATOM 1702 C PHE A 104 -6.905 -7.509 6.155 1.00 0.00 C ATOM 1703 O PHE A 104 -7.780 -8.277 5.760 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.152 -6.999 4.440 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.768 -6.149 3.261 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.409 -6.306 2.042 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -3.780 -5.185 3.373 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.070 -5.519 0.959 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -3.440 -4.393 2.293 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.084 -4.562 1.084 1.00 0.00 C ATOM 0 H PHE A 104 -4.955 -4.988 5.889 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.116 -6.133 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.293 -7.098 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.402 -8.001 4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.183 -7.052 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.269 -5.051 4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.577 -5.653 0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.671 -3.642 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.817 -3.947 0.238 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.417 -7.553 7.387 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.894 -8.527 8.358 1.00 0.00 C ATOM 1722 C ALA A 105 -7.868 -7.889 9.344 1.00 0.00 C ATOM 1723 O ALA A 105 -8.370 -8.548 10.259 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.724 -9.146 9.101 1.00 0.00 C ATOM 0 H ALA A 105 -5.692 -6.926 7.737 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.425 -9.311 7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.095 -9.872 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.065 -9.645 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.170 -8.365 9.623 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.129 -6.601 9.156 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.020 -5.860 10.046 1.00 0.00 C ATOM 1732 C ASP A 106 -10.455 -5.937 9.540 1.00 0.00 C ATOM 1733 O ASP A 106 -11.409 -5.878 10.323 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.576 -4.397 10.160 1.00 0.00 C ATOM 1735 CG ASP A 106 -9.402 -3.609 11.157 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -9.389 -3.960 12.357 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -10.047 -2.619 10.759 1.00 0.00 O ATOM 0 H ASP A 106 -7.737 -6.046 8.395 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.971 -6.313 11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.527 -4.362 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.647 -3.923 9.181 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.599 -6.086 8.228 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.912 -6.257 7.613 1.00 0.00 C ATOM 1744 C ASP A 107 -12.387 -7.698 7.833 1.00 0.00 C ATOM 1745 O ASP A 107 -11.766 -8.454 8.583 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.842 -5.926 6.113 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.195 -5.581 5.506 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -13.953 -6.506 5.152 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.507 -4.379 5.372 1.00 0.00 O ATOM 0 H ASP A 107 -9.822 -6.092 7.568 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.626 -5.574 8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.161 -5.088 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.419 -6.778 5.580 1.00 0.00 H new