USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 860 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 24 THR OG1 : rot -116:sc= 0.667 USER MOD Set 1.2: A 27 ASN : amide:sc= -7.57! C(o=-8!,f=-15!) USER MOD Set 1.3: A 106 TYR OH : rot 180:sc= -1.12! USER MOD Set 2.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 96 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.887 K(o=1.7,f=-17!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 154:sc= 0.826 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00546 USER MOD Single : A 3 SER OG : rot 53:sc= 0.114 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 50:sc= 0.219 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.907 F(o=-1.4,f=-0.91) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 22 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.79) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.9!) USER MOD Single : A 35 TYR OH : rot 0:sc= -3.12! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.295 K(o=-0.3,f=-1.5!) USER MOD Single : A 45 TYR OH : rot -2:sc= -2.73 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0.112 (180deg=0.1) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -1.49 F(o=-2.2,f=-1.5) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -4.87 F(o=-6.6!,f=-4.9) USER MOD Single : A 55 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -172:sc= -3.37 (180deg=-4.13) USER MOD Single : A 63 THR OG1 : rot -87:sc= 0.284 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.012 K(o=-0.012,f=-0.65) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.00987 X(o=-0.0099,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -5.69! C(o=-5.7!,f=-12!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 70:sc= -5.06 USER MOD Single : A 98 TYR OH : rot 87:sc= 0.674 USER MOD Single : A 99 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-7.4!) USER MOD Single : A 107 SER OG : rot -108:sc= 0.702 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.157 -0.427 -18.740 1.00 0.00 N ATOM 2 CA GLY A 1 -28.099 -1.522 -18.584 1.00 0.00 C ATOM 3 C GLY A 1 -27.368 -2.854 -18.404 1.00 0.00 C ATOM 4 O GLY A 1 -26.518 -3.214 -19.217 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.678 0.465 -18.860 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.554 -0.364 -17.895 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.563 -0.596 -19.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.739 -1.335 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.748 -1.575 -19.458 1.00 0.00 H new ATOM 8 N SER A 2 -27.725 -3.549 -17.334 1.00 0.00 N ATOM 9 CA SER A 2 -27.114 -4.833 -17.037 1.00 0.00 C ATOM 10 C SER A 2 -27.813 -5.482 -15.842 1.00 0.00 C ATOM 11 O SER A 2 -28.573 -4.826 -15.131 1.00 0.00 O ATOM 12 CB SER A 2 -25.617 -4.679 -16.757 1.00 0.00 C ATOM 13 OG SER A 2 -24.944 -5.935 -16.746 1.00 0.00 O ATOM 0 H SER A 2 -28.430 -3.247 -16.662 1.00 0.00 H new ATOM 0 HA SER A 2 -27.229 -5.476 -17.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.171 -4.035 -17.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.477 -4.184 -15.796 1.00 0.00 H new ATOM 0 HG SER A 2 -23.991 -5.794 -16.566 1.00 0.00 H new ATOM 19 N SER A 3 -27.533 -6.764 -15.656 1.00 0.00 N ATOM 20 CA SER A 3 -28.126 -7.509 -14.559 1.00 0.00 C ATOM 21 C SER A 3 -27.128 -8.539 -14.026 1.00 0.00 C ATOM 22 O SER A 3 -27.192 -9.714 -14.384 1.00 0.00 O ATOM 23 CB SER A 3 -29.418 -8.200 -14.997 1.00 0.00 C ATOM 24 OG SER A 3 -29.259 -8.898 -16.229 1.00 0.00 O ATOM 0 H SER A 3 -26.903 -7.306 -16.247 1.00 0.00 H new ATOM 0 HA SER A 3 -28.374 -6.806 -13.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.736 -8.899 -14.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.209 -7.457 -15.101 1.00 0.00 H new ATOM 0 HG SER A 3 -28.493 -9.506 -16.164 1.00 0.00 H new ATOM 30 N GLY A 4 -26.228 -8.061 -13.178 1.00 0.00 N ATOM 31 CA GLY A 4 -25.218 -8.925 -12.593 1.00 0.00 C ATOM 32 C GLY A 4 -24.696 -9.932 -13.619 1.00 0.00 C ATOM 33 O GLY A 4 -24.765 -9.689 -14.823 1.00 0.00 O ATOM 0 H GLY A 4 -26.178 -7.086 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.392 -8.322 -12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.639 -9.456 -11.739 1.00 0.00 H new ATOM 37 N SER A 5 -24.186 -11.042 -13.106 1.00 0.00 N ATOM 38 CA SER A 5 -23.653 -12.087 -13.963 1.00 0.00 C ATOM 39 C SER A 5 -23.614 -13.416 -13.206 1.00 0.00 C ATOM 40 O SER A 5 -23.967 -13.475 -12.029 1.00 0.00 O ATOM 41 CB SER A 5 -22.255 -11.724 -14.470 1.00 0.00 C ATOM 42 OG SER A 5 -21.263 -11.883 -13.460 1.00 0.00 O ATOM 0 H SER A 5 -24.131 -11.240 -12.107 1.00 0.00 H new ATOM 0 HA SER A 5 -24.309 -12.188 -14.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.005 -12.352 -15.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.253 -10.692 -14.821 1.00 0.00 H new ATOM 0 HG SER A 5 -20.385 -11.643 -13.823 1.00 0.00 H new ATOM 48 N SER A 6 -23.182 -14.451 -13.912 1.00 0.00 N ATOM 49 CA SER A 6 -23.093 -15.775 -13.322 1.00 0.00 C ATOM 50 C SER A 6 -21.880 -16.519 -13.885 1.00 0.00 C ATOM 51 O SER A 6 -21.252 -16.057 -14.837 1.00 0.00 O ATOM 52 CB SER A 6 -24.371 -16.578 -13.573 1.00 0.00 C ATOM 53 OG SER A 6 -24.498 -16.966 -14.938 1.00 0.00 O ATOM 0 H SER A 6 -22.890 -14.399 -14.888 1.00 0.00 H new ATOM 0 HA SER A 6 -22.974 -15.661 -12.245 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.371 -17.467 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.236 -15.982 -13.283 1.00 0.00 H new ATOM 0 HG SER A 6 -25.325 -17.478 -15.057 1.00 0.00 H new ATOM 59 N GLY A 7 -21.587 -17.657 -13.274 1.00 0.00 N ATOM 60 CA GLY A 7 -20.461 -18.469 -13.702 1.00 0.00 C ATOM 61 C GLY A 7 -19.157 -17.972 -13.076 1.00 0.00 C ATOM 62 O GLY A 7 -18.177 -17.734 -13.780 1.00 0.00 O ATOM 0 H GLY A 7 -22.110 -18.036 -12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.630 -19.509 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.380 -18.441 -14.789 1.00 0.00 H new ATOM 66 N LEU A 8 -19.187 -17.829 -11.759 1.00 0.00 N ATOM 67 CA LEU A 8 -18.019 -17.365 -11.029 1.00 0.00 C ATOM 68 C LEU A 8 -17.635 -18.405 -9.975 1.00 0.00 C ATOM 69 O LEU A 8 -17.648 -18.117 -8.780 1.00 0.00 O ATOM 70 CB LEU A 8 -18.268 -15.969 -10.454 1.00 0.00 C ATOM 71 CG LEU A 8 -17.901 -14.794 -11.363 1.00 0.00 C ATOM 72 CD1 LEU A 8 -18.782 -13.578 -11.068 1.00 0.00 C ATOM 73 CD2 LEU A 8 -16.412 -14.462 -11.257 1.00 0.00 C ATOM 0 H LEU A 8 -20.002 -18.026 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.166 -17.261 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -19.324 -15.887 -10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.705 -15.874 -9.526 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.092 -15.088 -12.395 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.501 -12.757 -11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -19.827 -13.837 -11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.646 -13.273 -10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.179 -13.624 -11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.171 -14.196 -10.228 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.824 -15.330 -11.554 1.00 0.00 H new ATOM 85 N GLU A 9 -17.301 -19.593 -10.457 1.00 0.00 N ATOM 86 CA GLU A 9 -16.913 -20.678 -9.571 1.00 0.00 C ATOM 87 C GLU A 9 -15.450 -20.523 -9.152 1.00 0.00 C ATOM 88 O GLU A 9 -14.646 -21.435 -9.340 1.00 0.00 O ATOM 89 CB GLU A 9 -17.153 -22.037 -10.231 1.00 0.00 C ATOM 90 CG GLU A 9 -16.238 -22.228 -11.443 1.00 0.00 C ATOM 91 CD GLU A 9 -16.841 -23.226 -12.433 1.00 0.00 C ATOM 92 OE1 GLU A 9 -18.013 -23.013 -12.812 1.00 0.00 O ATOM 93 OE2 GLU A 9 -16.116 -24.180 -12.790 1.00 0.00 O ATOM 0 H GLU A 9 -17.291 -19.828 -11.449 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.534 -20.631 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -16.975 -22.833 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.195 -22.115 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.079 -21.270 -11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.261 -22.582 -11.114 1.00 0.00 H new ATOM 100 N SER A 10 -15.149 -19.361 -8.590 1.00 0.00 N ATOM 101 CA SER A 10 -13.796 -19.075 -8.141 1.00 0.00 C ATOM 102 C SER A 10 -13.415 -20.015 -6.996 1.00 0.00 C ATOM 103 O SER A 10 -13.542 -19.657 -5.826 1.00 0.00 O ATOM 104 CB SER A 10 -13.659 -17.617 -7.699 1.00 0.00 C ATOM 105 OG SER A 10 -14.685 -17.238 -6.786 1.00 0.00 O ATOM 0 H SER A 10 -15.818 -18.607 -8.435 1.00 0.00 H new ATOM 0 HA SER A 10 -13.116 -19.238 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.685 -17.470 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.694 -16.968 -8.574 1.00 0.00 H new ATOM 0 HG SER A 10 -14.741 -17.899 -6.064 1.00 0.00 H new ATOM 111 N GLU A 11 -12.955 -21.199 -7.373 1.00 0.00 N ATOM 112 CA GLU A 11 -12.554 -22.193 -6.392 1.00 0.00 C ATOM 113 C GLU A 11 -11.127 -21.920 -5.912 1.00 0.00 C ATOM 114 O GLU A 11 -10.245 -22.763 -6.066 1.00 0.00 O ATOM 115 CB GLU A 11 -12.680 -23.608 -6.961 1.00 0.00 C ATOM 116 CG GLU A 11 -11.699 -23.823 -8.116 1.00 0.00 C ATOM 117 CD GLU A 11 -10.809 -25.040 -7.860 1.00 0.00 C ATOM 118 OE1 GLU A 11 -11.377 -26.150 -7.770 1.00 0.00 O ATOM 119 OE2 GLU A 11 -9.580 -24.834 -7.759 1.00 0.00 O ATOM 0 H GLU A 11 -12.851 -21.492 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.225 -22.120 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.488 -24.338 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.699 -23.775 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.251 -23.961 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.080 -22.935 -8.242 1.00 0.00 H new ATOM 126 N GLU A 12 -10.946 -20.739 -5.339 1.00 0.00 N ATOM 127 CA GLU A 12 -9.641 -20.345 -4.835 1.00 0.00 C ATOM 128 C GLU A 12 -9.780 -19.678 -3.465 1.00 0.00 C ATOM 129 O GLU A 12 -10.010 -18.473 -3.377 1.00 0.00 O ATOM 130 CB GLU A 12 -8.928 -19.420 -5.824 1.00 0.00 C ATOM 131 CG GLU A 12 -7.423 -19.695 -5.845 1.00 0.00 C ATOM 132 CD GLU A 12 -7.027 -20.486 -7.093 1.00 0.00 C ATOM 133 OE1 GLU A 12 -7.383 -20.020 -8.197 1.00 0.00 O ATOM 134 OE2 GLU A 12 -6.378 -21.539 -6.915 1.00 0.00 O ATOM 0 H GLU A 12 -11.681 -20.043 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.032 -21.242 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.341 -19.562 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.108 -18.381 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.877 -18.752 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.139 -20.252 -4.952 1.00 0.00 H new ATOM 141 N VAL A 13 -9.635 -20.492 -2.430 1.00 0.00 N ATOM 142 CA VAL A 13 -9.742 -19.997 -1.068 1.00 0.00 C ATOM 143 C VAL A 13 -8.571 -20.533 -0.241 1.00 0.00 C ATOM 144 O VAL A 13 -8.054 -21.614 -0.520 1.00 0.00 O ATOM 145 CB VAL A 13 -11.106 -20.367 -0.482 1.00 0.00 C ATOM 146 CG1 VAL A 13 -11.135 -20.134 1.030 1.00 0.00 C ATOM 147 CG2 VAL A 13 -12.229 -19.594 -1.177 1.00 0.00 C ATOM 0 H VAL A 13 -9.444 -21.491 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.680 -18.909 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.270 -21.430 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.116 -20.405 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.372 -20.748 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.938 -19.083 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.188 -19.875 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.070 -18.524 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.230 -19.831 -2.241 1.00 0.00 H new ATOM 157 N ASP A 14 -8.188 -19.753 0.758 1.00 0.00 N ATOM 158 CA ASP A 14 -7.088 -20.136 1.627 1.00 0.00 C ATOM 159 C ASP A 14 -7.608 -20.311 3.055 1.00 0.00 C ATOM 160 O ASP A 14 -8.627 -19.728 3.424 1.00 0.00 O ATOM 161 CB ASP A 14 -6.002 -19.059 1.649 1.00 0.00 C ATOM 162 CG ASP A 14 -6.516 -17.625 1.793 1.00 0.00 C ATOM 163 OD1 ASP A 14 -7.595 -17.468 2.404 1.00 0.00 O ATOM 164 OD2 ASP A 14 -5.819 -16.718 1.289 1.00 0.00 O ATOM 0 H ASP A 14 -8.619 -18.857 0.986 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.666 -21.066 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.320 -19.269 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.422 -19.130 0.729 1.00 0.00 H new ATOM 169 N LEU A 15 -6.886 -21.117 3.820 1.00 0.00 N ATOM 170 CA LEU A 15 -7.262 -21.376 5.199 1.00 0.00 C ATOM 171 C LEU A 15 -6.384 -20.537 6.129 1.00 0.00 C ATOM 172 O LEU A 15 -6.836 -19.532 6.676 1.00 0.00 O ATOM 173 CB LEU A 15 -7.213 -22.876 5.495 1.00 0.00 C ATOM 174 CG LEU A 15 -8.541 -23.525 5.891 1.00 0.00 C ATOM 175 CD1 LEU A 15 -8.612 -24.972 5.400 1.00 0.00 C ATOM 176 CD2 LEU A 15 -8.774 -23.420 7.400 1.00 0.00 C ATOM 0 H LEU A 15 -6.042 -21.599 3.510 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.294 -21.073 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.830 -23.388 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.495 -23.045 6.298 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.347 -22.979 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.566 -25.410 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.524 -24.992 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.797 -25.546 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.724 -23.889 7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.966 -23.926 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.797 -22.370 7.692 1.00 0.00 H new ATOM 188 N ASN A 16 -5.144 -20.980 6.279 1.00 0.00 N ATOM 189 CA ASN A 16 -4.199 -20.282 7.134 1.00 0.00 C ATOM 190 C ASN A 16 -3.642 -19.068 6.387 1.00 0.00 C ATOM 191 O ASN A 16 -3.441 -18.009 6.978 1.00 0.00 O ATOM 192 CB ASN A 16 -3.023 -21.187 7.508 1.00 0.00 C ATOM 193 CG ASN A 16 -2.396 -21.815 6.262 1.00 0.00 C ATOM 194 OD1 ASN A 16 -2.934 -22.980 5.914 1.00 0.00 O flip ATOM 195 ND2 ASN A 16 -1.484 -21.276 5.656 1.00 0.00 N flip ATOM 0 H ASN A 16 -4.772 -21.813 5.823 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.724 -19.979 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.271 -20.609 8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.364 -21.972 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.117 -20.380 5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.089 -21.721 4.828 1.00 0.00 H new ATOM 202 N ALA A 17 -3.409 -19.263 5.097 1.00 0.00 N ATOM 203 CA ALA A 17 -2.880 -18.198 4.263 1.00 0.00 C ATOM 204 C ALA A 17 -3.827 -16.997 4.315 1.00 0.00 C ATOM 205 O ALA A 17 -3.418 -15.868 4.048 1.00 0.00 O ATOM 206 CB ALA A 17 -2.676 -18.718 2.838 1.00 0.00 C ATOM 0 H ALA A 17 -3.577 -20.143 4.609 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.909 -17.869 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.279 -17.919 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.973 -19.551 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.630 -19.055 2.434 1.00 0.00 H new ATOM 212 N GLY A 18 -5.074 -17.282 4.660 1.00 0.00 N ATOM 213 CA GLY A 18 -6.082 -16.239 4.750 1.00 0.00 C ATOM 214 C GLY A 18 -5.862 -15.371 5.991 1.00 0.00 C ATOM 215 O GLY A 18 -5.933 -14.145 5.915 1.00 0.00 O ATOM 0 H GLY A 18 -5.409 -18.220 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.048 -15.617 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.074 -16.689 4.788 1.00 0.00 H new ATOM 219 N LEU A 19 -5.601 -16.040 7.104 1.00 0.00 N ATOM 220 CA LEU A 19 -5.371 -15.345 8.359 1.00 0.00 C ATOM 221 C LEU A 19 -4.224 -14.348 8.182 1.00 0.00 C ATOM 222 O LEU A 19 -4.334 -13.192 8.588 1.00 0.00 O ATOM 223 CB LEU A 19 -5.145 -16.347 9.493 1.00 0.00 C ATOM 224 CG LEU A 19 -6.312 -17.289 9.798 1.00 0.00 C ATOM 225 CD1 LEU A 19 -5.850 -18.476 10.646 1.00 0.00 C ATOM 226 CD2 LEU A 19 -7.470 -16.533 10.452 1.00 0.00 C ATOM 0 H LEU A 19 -5.544 -17.057 7.163 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.253 -14.771 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.271 -16.951 9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.906 -15.792 10.400 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.683 -17.691 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.698 -19.130 10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.084 -19.032 10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.439 -18.112 11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.286 -17.225 10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.130 -16.084 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.820 -15.750 9.779 1.00 0.00 H new ATOM 238 N HIS A 20 -3.151 -14.831 7.575 1.00 0.00 N ATOM 239 CA HIS A 20 -1.985 -13.997 7.339 1.00 0.00 C ATOM 240 C HIS A 20 -2.369 -12.820 6.440 1.00 0.00 C ATOM 241 O HIS A 20 -2.375 -11.672 6.882 1.00 0.00 O ATOM 242 CB HIS A 20 -0.830 -14.824 6.771 1.00 0.00 C ATOM 243 CG HIS A 20 -0.121 -15.675 7.797 1.00 0.00 C ATOM 244 ND1 HIS A 20 1.194 -15.458 8.170 1.00 0.00 N ATOM 245 CD2 HIS A 20 -0.557 -16.743 8.525 1.00 0.00 C ATOM 246 CE1 HIS A 20 1.525 -16.362 9.081 1.00 0.00 C ATOM 247 NE2 HIS A 20 0.438 -17.157 9.300 1.00 0.00 N ATOM 0 H HIS A 20 -3.064 -15.790 7.239 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.630 -13.587 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.213 -15.470 5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.107 -14.151 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.544 -17.178 8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.486 -16.453 9.565 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.397 -17.940 9.952 1.00 0.00 H new ATOM 255 N GLY A 21 -2.682 -13.146 5.194 1.00 0.00 N ATOM 256 CA GLY A 21 -3.067 -12.130 4.229 1.00 0.00 C ATOM 257 C GLY A 21 -1.997 -11.968 3.147 1.00 0.00 C ATOM 258 O GLY A 21 -0.957 -11.354 3.384 1.00 0.00 O ATOM 0 H GLY A 21 -2.677 -14.099 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.017 -12.402 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.221 -11.179 4.739 1.00 0.00 H new ATOM 262 N ASN A 22 -2.288 -12.530 1.983 1.00 0.00 N ATOM 263 CA ASN A 22 -1.363 -12.455 0.864 1.00 0.00 C ATOM 264 C ASN A 22 -1.610 -11.159 0.090 1.00 0.00 C ATOM 265 O ASN A 22 -1.694 -11.171 -1.137 1.00 0.00 O ATOM 266 CB ASN A 22 -1.568 -13.627 -0.098 1.00 0.00 C ATOM 267 CG ASN A 22 -0.256 -14.376 -0.337 1.00 0.00 C ATOM 268 OD1 ASN A 22 0.826 -13.813 -0.305 1.00 0.00 O ATOM 269 ND2 ASN A 22 -0.411 -15.675 -0.578 1.00 0.00 N ATOM 0 H ASN A 22 -3.151 -13.039 1.790 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.349 -12.487 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.312 -14.311 0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.959 -13.259 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.405 -16.263 -0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.346 -16.083 -0.591 1.00 0.00 H new ATOM 276 N TRP A 23 -1.718 -10.071 0.840 1.00 0.00 N ATOM 277 CA TRP A 23 -1.953 -8.769 0.239 1.00 0.00 C ATOM 278 C TRP A 23 -0.599 -8.184 -0.166 1.00 0.00 C ATOM 279 O TRP A 23 0.175 -7.753 0.687 1.00 0.00 O ATOM 280 CB TRP A 23 -2.737 -7.861 1.189 1.00 0.00 C ATOM 281 CG TRP A 23 -4.248 -8.099 1.173 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.044 -8.421 2.202 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.119 -8.021 0.024 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.358 -8.556 1.803 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.405 -8.305 0.436 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.829 -7.721 -1.318 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.503 -8.316 -0.432 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.937 -7.737 -2.174 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.238 -8.020 -1.774 1.00 0.00 C ATOM 0 H TRP A 23 -1.647 -10.065 1.858 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.573 -8.862 -0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.367 -8.009 2.204 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.541 -6.822 0.926 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.700 -8.558 3.217 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.149 -8.796 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.830 -7.496 -1.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.501 -8.541 -0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.769 -7.514 -3.217 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.041 -8.011 -2.496 1.00 0.00 H new ATOM 300 N THR A 24 -0.354 -8.188 -1.468 1.00 0.00 N ATOM 301 CA THR A 24 0.893 -7.663 -1.997 1.00 0.00 C ATOM 302 C THR A 24 0.695 -6.237 -2.515 1.00 0.00 C ATOM 303 O THR A 24 -0.400 -5.875 -2.943 1.00 0.00 O ATOM 304 CB THR A 24 1.399 -8.633 -3.067 1.00 0.00 C ATOM 305 OG1 THR A 24 0.600 -8.337 -4.209 1.00 0.00 O ATOM 306 CG2 THR A 24 1.061 -10.090 -2.743 1.00 0.00 C ATOM 0 H THR A 24 -0.998 -8.547 -2.173 1.00 0.00 H new ATOM 0 HA THR A 24 1.652 -7.590 -1.219 1.00 0.00 H new ATOM 0 HB THR A 24 2.479 -8.526 -3.173 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.056 -9.119 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.442 -10.736 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.520 -10.368 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.020 -10.205 -2.670 1.00 0.00 H new ATOM 314 N LEU A 25 1.770 -5.466 -2.459 1.00 0.00 N ATOM 315 CA LEU A 25 1.728 -4.088 -2.917 1.00 0.00 C ATOM 316 C LEU A 25 0.837 -3.994 -4.157 1.00 0.00 C ATOM 317 O LEU A 25 -0.059 -3.155 -4.219 1.00 0.00 O ATOM 318 CB LEU A 25 3.145 -3.552 -3.135 1.00 0.00 C ATOM 319 CG LEU A 25 3.757 -2.777 -1.967 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.187 -2.339 -2.288 1.00 0.00 C ATOM 321 CD2 LEU A 25 2.871 -1.595 -1.569 1.00 0.00 C ATOM 0 H LEU A 25 2.676 -5.769 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 25 1.284 -3.447 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.798 -4.393 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.136 -2.903 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 25 3.811 -3.443 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.598 -1.790 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.801 -3.218 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.182 -1.696 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.329 -1.061 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.763 -0.920 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.889 -1.961 -1.269 1.00 0.00 H new ATOM 333 N GLU A 26 1.115 -4.868 -5.113 1.00 0.00 N ATOM 334 CA GLU A 26 0.350 -4.894 -6.348 1.00 0.00 C ATOM 335 C GLU A 26 -1.136 -5.098 -6.047 1.00 0.00 C ATOM 336 O GLU A 26 -1.968 -4.275 -6.427 1.00 0.00 O ATOM 337 CB GLU A 26 0.871 -5.979 -7.293 1.00 0.00 C ATOM 338 CG GLU A 26 1.208 -5.394 -8.666 1.00 0.00 C ATOM 339 CD GLU A 26 0.094 -5.683 -9.674 1.00 0.00 C ATOM 340 OE1 GLU A 26 -0.382 -6.839 -9.677 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.256 -4.743 -10.419 1.00 0.00 O ATOM 0 H GLU A 26 1.859 -5.563 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 26 0.472 -3.933 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.758 -6.444 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.121 -6.763 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.355 -4.317 -8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.147 -5.817 -9.025 1.00 0.00 H new ATOM 348 N ASN A 27 -1.425 -6.198 -5.368 1.00 0.00 N ATOM 349 CA ASN A 27 -2.796 -6.520 -5.012 1.00 0.00 C ATOM 350 C ASN A 27 -3.439 -5.311 -4.330 1.00 0.00 C ATOM 351 O ASN A 27 -4.381 -4.723 -4.858 1.00 0.00 O ATOM 352 CB ASN A 27 -2.850 -7.698 -4.037 1.00 0.00 C ATOM 353 CG ASN A 27 -2.259 -8.960 -4.668 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.391 -9.614 -4.113 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.775 -9.264 -5.855 1.00 0.00 N ATOM 0 H ASN A 27 -0.732 -6.878 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.328 -6.784 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.300 -7.449 -3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.883 -7.884 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.446 -10.088 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.500 -8.673 -6.263 1.00 0.00 H new ATOM 362 N ALA A 28 -2.902 -4.975 -3.165 1.00 0.00 N ATOM 363 CA ALA A 28 -3.411 -3.846 -2.405 1.00 0.00 C ATOM 364 C ALA A 28 -3.779 -2.713 -3.366 1.00 0.00 C ATOM 365 O ALA A 28 -4.957 -2.456 -3.606 1.00 0.00 O ATOM 366 CB ALA A 28 -2.371 -3.417 -1.369 1.00 0.00 C ATOM 0 H ALA A 28 -2.120 -5.465 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.315 -4.125 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.753 -2.570 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.167 -4.247 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.450 -3.128 -1.876 1.00 0.00 H new ATOM 372 N LYS A 29 -2.747 -2.067 -3.889 1.00 0.00 N ATOM 373 CA LYS A 29 -2.947 -0.967 -4.818 1.00 0.00 C ATOM 374 C LYS A 29 -4.082 -1.319 -5.782 1.00 0.00 C ATOM 375 O LYS A 29 -5.170 -0.752 -5.699 1.00 0.00 O ATOM 376 CB LYS A 29 -1.633 -0.612 -5.518 1.00 0.00 C ATOM 377 CG LYS A 29 -1.331 0.882 -5.390 1.00 0.00 C ATOM 378 CD LYS A 29 -0.521 1.382 -6.588 1.00 0.00 C ATOM 379 CE LYS A 29 -1.253 2.514 -7.311 1.00 0.00 C ATOM 380 NZ LYS A 29 -2.228 1.966 -8.279 1.00 0.00 N ATOM 0 H LYS A 29 -1.771 -2.284 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.250 -0.067 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.817 -1.190 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.692 -0.886 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.264 1.441 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.778 1.067 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.455 1.732 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.343 0.559 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.767 3.144 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.533 3.147 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.716 2.748 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.730 1.384 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.925 1.381 -7.776 1.00 0.00 H new ATOM 394 N ALA A 30 -3.788 -2.253 -6.674 1.00 0.00 N ATOM 395 CA ALA A 30 -4.770 -2.688 -7.653 1.00 0.00 C ATOM 396 C ALA A 30 -6.163 -2.655 -7.021 1.00 0.00 C ATOM 397 O ALA A 30 -7.011 -1.857 -7.419 1.00 0.00 O ATOM 398 CB ALA A 30 -4.397 -4.079 -8.169 1.00 0.00 C ATOM 0 H ALA A 30 -2.884 -2.721 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.780 -2.015 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.134 -4.404 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.412 -4.042 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.378 -4.783 -7.337 1.00 0.00 H new ATOM 404 N ARG A 31 -6.357 -3.531 -6.046 1.00 0.00 N ATOM 405 CA ARG A 31 -7.632 -3.612 -5.355 1.00 0.00 C ATOM 406 C ARG A 31 -8.150 -2.209 -5.030 1.00 0.00 C ATOM 407 O ARG A 31 -9.287 -1.872 -5.357 1.00 0.00 O ATOM 408 CB ARG A 31 -7.506 -4.414 -4.058 1.00 0.00 C ATOM 409 CG ARG A 31 -7.905 -5.875 -4.276 1.00 0.00 C ATOM 410 CD ARG A 31 -9.416 -6.058 -4.129 1.00 0.00 C ATOM 411 NE ARG A 31 -9.771 -6.218 -2.701 1.00 0.00 N ATOM 412 CZ ARG A 31 -10.958 -6.663 -2.267 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.912 -6.996 -3.148 1.00 0.00 N ATOM 414 NH2 ARG A 31 -11.191 -6.775 -0.952 1.00 0.00 N ATOM 0 H ARG A 31 -5.652 -4.191 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.335 -4.119 -6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.480 -4.364 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.139 -3.971 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.591 -6.197 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.387 -6.509 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.937 -5.197 -4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.741 -6.932 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.068 -5.974 -2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.734 -6.911 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.816 -7.335 -2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.465 -6.522 -0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.094 -7.114 -0.621 1.00 0.00 H new ATOM 428 N LEU A 32 -7.291 -1.428 -4.392 1.00 0.00 N ATOM 429 CA LEU A 32 -7.647 -0.070 -4.020 1.00 0.00 C ATOM 430 C LEU A 32 -8.440 0.575 -5.159 1.00 0.00 C ATOM 431 O LEU A 32 -9.533 1.095 -4.942 1.00 0.00 O ATOM 432 CB LEU A 32 -6.401 0.719 -3.614 1.00 0.00 C ATOM 433 CG LEU A 32 -6.650 2.024 -2.855 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.392 1.761 -1.543 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.343 2.787 -2.632 1.00 0.00 C ATOM 0 H LEU A 32 -6.348 -1.710 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.294 -0.073 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.774 0.076 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.832 0.949 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.292 2.658 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.557 2.705 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.352 1.292 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.796 1.099 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.549 3.710 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.657 2.171 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.891 3.024 -3.595 1.00 0.00 H new ATOM 447 N ASN A 33 -7.857 0.520 -6.347 1.00 0.00 N ATOM 448 CA ASN A 33 -8.495 1.092 -7.521 1.00 0.00 C ATOM 449 C ASN A 33 -9.883 0.471 -7.695 1.00 0.00 C ATOM 450 O ASN A 33 -10.853 1.177 -7.964 1.00 0.00 O ATOM 451 CB ASN A 33 -7.685 0.802 -8.785 1.00 0.00 C ATOM 452 CG ASN A 33 -6.868 2.025 -9.206 1.00 0.00 C ATOM 453 OD1 ASN A 33 -7.047 3.124 -8.708 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.966 1.774 -10.150 1.00 0.00 N ATOM 0 H ASN A 33 -6.950 0.088 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.562 2.170 -7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.018 -0.042 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.357 0.513 -9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.372 2.525 -10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.868 0.830 -10.524 1.00 0.00 H new ATOM 461 N GLN A 34 -9.932 -0.843 -7.535 1.00 0.00 N ATOM 462 CA GLN A 34 -11.184 -1.567 -7.672 1.00 0.00 C ATOM 463 C GLN A 34 -12.197 -1.077 -6.635 1.00 0.00 C ATOM 464 O GLN A 34 -13.356 -0.828 -6.963 1.00 0.00 O ATOM 465 CB GLN A 34 -10.962 -3.076 -7.549 1.00 0.00 C ATOM 466 CG GLN A 34 -10.526 -3.676 -8.888 1.00 0.00 C ATOM 467 CD GLN A 34 -11.701 -4.359 -9.590 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.841 -4.285 -9.164 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.360 -5.028 -10.688 1.00 0.00 N ATOM 0 H GLN A 34 -9.125 -1.425 -7.312 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.586 -1.372 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.203 -3.275 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.881 -3.556 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.121 -2.892 -9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.726 -4.398 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.386 -5.050 -10.990 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.073 -5.519 -11.228 1.00 0.00 H new ATOM 478 N TYR A 35 -11.722 -0.952 -5.404 1.00 0.00 N ATOM 479 CA TYR A 35 -12.571 -0.495 -4.317 1.00 0.00 C ATOM 480 C TYR A 35 -13.167 0.880 -4.626 1.00 0.00 C ATOM 481 O TYR A 35 -14.308 1.162 -4.265 1.00 0.00 O ATOM 482 CB TYR A 35 -11.663 -0.381 -3.091 1.00 0.00 C ATOM 483 CG TYR A 35 -12.361 0.177 -1.849 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.266 -0.602 -1.158 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.084 1.459 -1.420 1.00 0.00 C ATOM 486 CE1 TYR A 35 -13.923 -0.077 0.011 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.741 1.985 -0.251 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.628 1.190 0.407 1.00 0.00 C ATOM 489 OH TYR A 35 -14.248 1.686 1.511 1.00 0.00 O ATOM 0 H TYR A 35 -10.760 -1.159 -5.136 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.399 -1.187 -4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.260 -1.367 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.816 0.259 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.482 -1.606 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.375 2.068 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.634 -0.676 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.534 2.987 0.095 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.855 1.009 1.877 1.00 0.00 H new ATOM 499 N PHE A 36 -12.367 1.699 -5.293 1.00 0.00 N ATOM 500 CA PHE A 36 -12.800 3.038 -5.655 1.00 0.00 C ATOM 501 C PHE A 36 -13.693 3.008 -6.897 1.00 0.00 C ATOM 502 O PHE A 36 -14.427 3.959 -7.161 1.00 0.00 O ATOM 503 CB PHE A 36 -11.540 3.847 -5.967 1.00 0.00 C ATOM 504 CG PHE A 36 -10.698 4.188 -4.736 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.128 3.827 -3.497 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.520 4.852 -4.880 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.347 4.144 -2.354 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.739 5.169 -3.737 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.169 4.808 -2.498 1.00 0.00 C ATOM 0 H PHE A 36 -11.421 1.461 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.373 3.477 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.925 3.286 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.829 4.773 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.063 3.299 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.178 5.138 -5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.689 3.858 -1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.804 5.697 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.575 5.049 -1.629 1.00 0.00 H new ATOM 519 N GLN A 37 -13.602 1.905 -7.625 1.00 0.00 N ATOM 520 CA GLN A 37 -14.393 1.738 -8.833 1.00 0.00 C ATOM 521 C GLN A 37 -15.769 1.164 -8.491 1.00 0.00 C ATOM 522 O GLN A 37 -16.791 1.684 -8.938 1.00 0.00 O ATOM 523 CB GLN A 37 -13.666 0.852 -9.847 1.00 0.00 C ATOM 524 CG GLN A 37 -12.708 1.678 -10.709 1.00 0.00 C ATOM 525 CD GLN A 37 -13.003 1.481 -12.198 1.00 0.00 C ATOM 526 OE1 GLN A 37 -12.425 0.639 -12.865 1.00 0.00 O ATOM 527 NE2 GLN A 37 -13.932 2.302 -12.679 1.00 0.00 N ATOM 0 H GLN A 37 -12.993 1.118 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.533 2.717 -9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.111 0.074 -9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.394 0.350 -10.485 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.800 2.733 -10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.679 1.387 -10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.377 2.984 -12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.200 2.249 -13.662 1.00 0.00 H new ATOM 536 N LYS A 38 -15.752 0.100 -7.702 1.00 0.00 N ATOM 537 CA LYS A 38 -16.986 -0.550 -7.295 1.00 0.00 C ATOM 538 C LYS A 38 -17.836 0.436 -6.492 1.00 0.00 C ATOM 539 O LYS A 38 -18.974 0.724 -6.860 1.00 0.00 O ATOM 540 CB LYS A 38 -16.685 -1.852 -6.550 1.00 0.00 C ATOM 541 CG LYS A 38 -16.964 -3.068 -7.436 1.00 0.00 C ATOM 542 CD LYS A 38 -15.660 -3.696 -7.931 1.00 0.00 C ATOM 543 CE LYS A 38 -15.810 -5.209 -8.101 1.00 0.00 C ATOM 544 NZ LYS A 38 -14.905 -5.704 -9.163 1.00 0.00 N ATOM 0 H LYS A 38 -14.903 -0.328 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.571 -0.838 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.642 -1.861 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.294 -1.908 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.538 -3.806 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.574 -2.769 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.374 -3.246 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.858 -3.484 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.585 -5.711 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.842 -5.452 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.678 -6.704 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.372 -5.612 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.028 -5.145 -9.161 1.00 0.00 H new ATOM 558 N GLU A 39 -17.251 0.928 -5.410 1.00 0.00 N ATOM 559 CA GLU A 39 -17.940 1.876 -4.551 1.00 0.00 C ATOM 560 C GLU A 39 -18.095 3.222 -5.263 1.00 0.00 C ATOM 561 O GLU A 39 -18.870 4.072 -4.829 1.00 0.00 O ATOM 562 CB GLU A 39 -17.209 2.042 -3.218 1.00 0.00 C ATOM 563 CG GLU A 39 -17.639 0.966 -2.219 1.00 0.00 C ATOM 564 CD GLU A 39 -18.808 1.451 -1.360 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.820 1.869 -1.962 1.00 0.00 O ATOM 566 OE2 GLU A 39 -18.663 1.394 -0.120 1.00 0.00 O ATOM 0 H GLU A 39 -16.307 0.688 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.934 1.484 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.133 1.984 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.416 3.030 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.928 0.062 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.797 0.702 -1.579 1.00 0.00 H new ATOM 573 N LYS A 40 -17.343 3.373 -6.344 1.00 0.00 N ATOM 574 CA LYS A 40 -17.387 4.601 -7.120 1.00 0.00 C ATOM 575 C LYS A 40 -16.750 5.733 -6.311 1.00 0.00 C ATOM 576 O LYS A 40 -17.081 6.902 -6.505 1.00 0.00 O ATOM 577 CB LYS A 40 -18.817 4.898 -7.573 1.00 0.00 C ATOM 578 CG LYS A 40 -18.978 4.658 -9.075 1.00 0.00 C ATOM 579 CD LYS A 40 -18.383 5.813 -9.882 1.00 0.00 C ATOM 580 CE LYS A 40 -19.480 6.608 -10.593 1.00 0.00 C ATOM 581 NZ LYS A 40 -19.183 6.724 -12.038 1.00 0.00 N ATOM 0 H LYS A 40 -16.700 2.666 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.804 4.495 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.515 4.266 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.069 5.932 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.487 3.725 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.035 4.547 -9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.822 6.473 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.678 5.423 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.443 6.117 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.561 7.601 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.938 7.266 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.274 7.213 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.128 5.774 -12.458 1.00 0.00 H new ATOM 595 N ILE A 41 -15.848 5.346 -5.421 1.00 0.00 N ATOM 596 CA ILE A 41 -15.162 6.314 -4.582 1.00 0.00 C ATOM 597 C ILE A 41 -14.013 6.944 -5.372 1.00 0.00 C ATOM 598 O ILE A 41 -13.613 6.425 -6.413 1.00 0.00 O ATOM 599 CB ILE A 41 -14.722 5.667 -3.267 1.00 0.00 C ATOM 600 CG1 ILE A 41 -15.931 5.213 -2.447 1.00 0.00 C ATOM 601 CG2 ILE A 41 -13.810 6.605 -2.473 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.565 4.043 -1.532 1.00 0.00 C ATOM 0 H ILE A 41 -15.576 4.376 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.838 7.122 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.141 4.776 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.302 6.045 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.739 4.917 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.512 6.121 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.923 6.836 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.345 7.527 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.442 3.740 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.217 3.204 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.774 4.350 -0.847 1.00 0.00 H new ATOM 614 N GLN A 42 -13.516 8.055 -4.847 1.00 0.00 N ATOM 615 CA GLN A 42 -12.421 8.761 -5.491 1.00 0.00 C ATOM 616 C GLN A 42 -11.326 9.084 -4.472 1.00 0.00 C ATOM 617 O GLN A 42 -11.609 9.614 -3.398 1.00 0.00 O ATOM 618 CB GLN A 42 -12.919 10.032 -6.182 1.00 0.00 C ATOM 619 CG GLN A 42 -13.766 9.692 -7.410 1.00 0.00 C ATOM 620 CD GLN A 42 -15.057 10.514 -7.431 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.588 10.909 -6.407 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.529 10.747 -8.652 1.00 0.00 N ATOM 0 H GLN A 42 -13.851 8.483 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.997 8.112 -6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.508 10.624 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.069 10.645 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.193 9.886 -8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.008 8.629 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.034 10.386 -9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.386 11.286 -8.773 1.00 0.00 H new ATOM 631 N GLY A 43 -10.099 8.753 -4.845 1.00 0.00 N ATOM 632 CA GLY A 43 -8.960 9.001 -3.976 1.00 0.00 C ATOM 633 C GLY A 43 -7.646 8.889 -4.751 1.00 0.00 C ATOM 634 O GLY A 43 -7.408 7.895 -5.436 1.00 0.00 O ATOM 0 H GLY A 43 -9.868 8.315 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.043 9.995 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.963 8.286 -3.153 1.00 0.00 H new ATOM 638 N GLU A 44 -6.826 9.921 -4.616 1.00 0.00 N ATOM 639 CA GLU A 44 -5.542 9.951 -5.295 1.00 0.00 C ATOM 640 C GLU A 44 -4.402 9.914 -4.275 1.00 0.00 C ATOM 641 O GLU A 44 -4.641 9.783 -3.075 1.00 0.00 O ATOM 642 CB GLU A 44 -5.428 11.179 -6.200 1.00 0.00 C ATOM 643 CG GLU A 44 -6.242 12.348 -5.642 1.00 0.00 C ATOM 644 CD GLU A 44 -6.158 13.565 -6.567 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.042 14.117 -6.678 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.211 13.915 -7.141 1.00 0.00 O ATOM 0 H GLU A 44 -7.026 10.743 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.467 9.067 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.382 11.471 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.780 10.931 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.283 12.047 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.873 12.613 -4.651 1.00 0.00 H new ATOM 653 N TYR A 45 -3.186 10.031 -4.789 1.00 0.00 N ATOM 654 CA TYR A 45 -2.009 10.012 -3.938 1.00 0.00 C ATOM 655 C TYR A 45 -1.325 11.381 -3.919 1.00 0.00 C ATOM 656 O TYR A 45 -1.110 11.986 -4.968 1.00 0.00 O ATOM 657 CB TYR A 45 -1.056 8.988 -4.558 1.00 0.00 C ATOM 658 CG TYR A 45 -1.572 7.549 -4.509 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.411 7.082 -5.501 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.200 6.717 -3.472 1.00 0.00 C ATOM 661 CE1 TYR A 45 -2.896 5.727 -5.454 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.686 5.363 -3.426 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.510 4.934 -4.419 1.00 0.00 C ATOM 664 OH TYR A 45 -2.969 3.655 -4.375 1.00 0.00 O ATOM 0 H TYR A 45 -2.991 10.139 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.281 9.762 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.871 9.262 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.098 9.038 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.703 7.733 -6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.544 7.082 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.552 5.349 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.402 4.702 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.573 3.498 -5.130 1.00 0.00 H new ATOM 674 N LYS A 46 -1.002 11.828 -2.714 1.00 0.00 N ATOM 675 CA LYS A 46 -0.346 13.114 -2.544 1.00 0.00 C ATOM 676 C LYS A 46 1.149 12.892 -2.308 1.00 0.00 C ATOM 677 O LYS A 46 1.556 12.482 -1.222 1.00 0.00 O ATOM 678 CB LYS A 46 -1.030 13.922 -1.440 1.00 0.00 C ATOM 679 CG LYS A 46 -1.276 15.364 -1.887 1.00 0.00 C ATOM 680 CD LYS A 46 -2.409 15.435 -2.913 1.00 0.00 C ATOM 681 CE LYS A 46 -1.907 15.990 -4.247 1.00 0.00 C ATOM 682 NZ LYS A 46 -2.180 15.032 -5.343 1.00 0.00 N ATOM 0 H LYS A 46 -1.182 11.323 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.440 13.713 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.978 13.453 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.410 13.916 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.525 15.979 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.364 15.775 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.830 14.441 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.211 16.067 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.394 16.942 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.837 16.187 -4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.730 15.368 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.796 14.099 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.207 14.955 -5.489 1.00 0.00 H new ATOM 696 N TYR A 47 1.927 13.173 -3.344 1.00 0.00 N ATOM 697 CA TYR A 47 3.368 13.010 -3.263 1.00 0.00 C ATOM 698 C TYR A 47 4.040 14.296 -2.776 1.00 0.00 C ATOM 699 O TYR A 47 3.884 15.351 -3.388 1.00 0.00 O ATOM 700 CB TYR A 47 3.839 12.710 -4.687 1.00 0.00 C ATOM 701 CG TYR A 47 3.179 11.482 -5.316 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.626 10.217 -4.994 1.00 0.00 C ATOM 703 CD2 TYR A 47 2.135 11.639 -6.204 1.00 0.00 C ATOM 704 CE1 TYR A 47 3.004 9.060 -5.585 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.513 10.483 -6.796 1.00 0.00 C ATOM 706 CZ TYR A 47 1.978 9.251 -6.457 1.00 0.00 C ATOM 707 OH TYR A 47 1.391 8.159 -7.016 1.00 0.00 O ATOM 0 H TYR A 47 1.586 13.512 -4.243 1.00 0.00 H new ATOM 0 HA TYR A 47 3.625 12.216 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.640 13.578 -5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.919 12.564 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.443 10.094 -4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.784 12.629 -6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.344 8.064 -5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.696 10.592 -7.493 1.00 0.00 H new ATOM 0 HH TYR A 47 0.672 8.446 -7.618 1.00 0.00 H new ATOM 717 N THR A 48 4.772 14.165 -1.679 1.00 0.00 N ATOM 718 CA THR A 48 5.467 15.303 -1.104 1.00 0.00 C ATOM 719 C THR A 48 6.981 15.119 -1.224 1.00 0.00 C ATOM 720 O THR A 48 7.540 14.170 -0.677 1.00 0.00 O ATOM 721 CB THR A 48 4.988 15.469 0.340 1.00 0.00 C ATOM 722 OG1 THR A 48 3.671 15.999 0.209 1.00 0.00 O ATOM 723 CG2 THR A 48 5.756 16.560 1.090 1.00 0.00 C ATOM 0 H THR A 48 4.898 13.288 -1.174 1.00 0.00 H new ATOM 0 HA THR A 48 5.238 16.221 -1.645 1.00 0.00 H new ATOM 0 HB THR A 48 5.094 14.522 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.284 16.136 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.377 16.637 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.816 16.307 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.623 17.514 0.581 1.00 0.00 H new ATOM 731 N GLN A 49 7.602 16.043 -1.943 1.00 0.00 N ATOM 732 CA GLN A 49 9.041 15.995 -2.141 1.00 0.00 C ATOM 733 C GLN A 49 9.765 16.564 -0.920 1.00 0.00 C ATOM 734 O GLN A 49 9.600 17.737 -0.587 1.00 0.00 O ATOM 735 CB GLN A 49 9.444 16.741 -3.415 1.00 0.00 C ATOM 736 CG GLN A 49 10.780 16.225 -3.953 1.00 0.00 C ATOM 737 CD GLN A 49 11.466 17.282 -4.821 1.00 0.00 C ATOM 738 OE1 GLN A 49 12.568 17.793 -4.280 1.00 0.00 O flip ATOM 739 NE2 GLN A 49 11.024 17.611 -5.909 1.00 0.00 N flip ATOM 0 H GLN A 49 7.135 16.829 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 49 9.337 14.953 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.671 16.618 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.519 17.808 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.431 15.954 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.616 15.320 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.172 17.178 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.506 18.319 -6.462 1.00 0.00 H new ATOM 748 N VAL A 50 10.551 15.708 -0.285 1.00 0.00 N ATOM 749 CA VAL A 50 11.301 16.111 0.893 1.00 0.00 C ATOM 750 C VAL A 50 12.798 15.977 0.609 1.00 0.00 C ATOM 751 O VAL A 50 13.193 15.582 -0.487 1.00 0.00 O ATOM 752 CB VAL A 50 10.847 15.298 2.106 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.432 15.695 2.534 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.933 13.797 1.824 1.00 0.00 C ATOM 0 H VAL A 50 10.685 14.736 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 50 11.108 17.157 1.130 1.00 0.00 H new ATOM 0 HB VAL A 50 11.523 15.523 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.133 15.102 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.415 16.753 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.739 15.513 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.604 13.242 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.293 13.549 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.963 13.529 1.590 1.00 0.00 H new ATOM 764 N GLY A 51 13.591 16.312 1.616 1.00 0.00 N ATOM 765 CA GLY A 51 15.036 16.234 1.489 1.00 0.00 C ATOM 766 C GLY A 51 15.520 16.990 0.250 1.00 0.00 C ATOM 767 O GLY A 51 14.717 17.565 -0.483 1.00 0.00 O ATOM 0 H GLY A 51 13.260 16.638 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.506 16.651 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.343 15.190 1.425 1.00 0.00 H new ATOM 771 N PRO A 52 16.865 16.965 0.049 1.00 0.00 N ATOM 772 CA PRO A 52 17.464 17.641 -1.089 1.00 0.00 C ATOM 773 C PRO A 52 17.221 16.859 -2.381 1.00 0.00 C ATOM 774 O PRO A 52 17.007 15.648 -2.348 1.00 0.00 O ATOM 775 CB PRO A 52 18.938 17.767 -0.739 1.00 0.00 C ATOM 776 CG PRO A 52 19.194 16.752 0.363 1.00 0.00 C ATOM 777 CD PRO A 52 17.846 16.294 0.897 1.00 0.00 C ATOM 0 HA PRO A 52 17.027 18.622 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.564 17.566 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.174 18.776 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.760 15.904 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.790 17.196 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.744 15.210 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.720 16.570 1.944 1.00 0.00 H new ATOM 785 N ASP A 53 17.263 17.584 -3.490 1.00 0.00 N ATOM 786 CA ASP A 53 17.050 16.973 -4.791 1.00 0.00 C ATOM 787 C ASP A 53 18.035 15.816 -4.974 1.00 0.00 C ATOM 788 O ASP A 53 17.631 14.696 -5.282 1.00 0.00 O ATOM 789 CB ASP A 53 17.290 17.980 -5.918 1.00 0.00 C ATOM 790 CG ASP A 53 16.338 19.178 -5.927 1.00 0.00 C ATOM 791 OD1 ASP A 53 15.955 19.607 -4.817 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.016 19.639 -7.044 1.00 0.00 O ATOM 0 H ASP A 53 17.441 18.588 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 53 16.019 16.622 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.313 18.348 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.206 17.461 -6.873 1.00 0.00 H new ATOM 797 N HIS A 54 19.307 16.127 -4.777 1.00 0.00 N ATOM 798 CA HIS A 54 20.352 15.127 -4.917 1.00 0.00 C ATOM 799 C HIS A 54 19.913 13.828 -4.239 1.00 0.00 C ATOM 800 O HIS A 54 20.155 12.740 -4.759 1.00 0.00 O ATOM 801 CB HIS A 54 21.684 15.655 -4.381 1.00 0.00 C ATOM 802 CG HIS A 54 21.898 15.400 -2.908 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.280 14.270 -2.245 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.716 16.375 -1.943 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.329 14.541 -0.947 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 21.979 15.846 -0.758 1.00 0.00 N flip ATOM 0 H HIS A 54 19.638 17.057 -4.522 1.00 0.00 H new ATOM 0 HA HIS A 54 20.513 14.909 -5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.498 15.194 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.738 16.728 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.411 17.395 -2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.601 13.844 -0.169 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.929 16.329 0.139 1.00 0.00 H new ATOM 814 N ASN A 55 19.276 13.985 -3.088 1.00 0.00 N ATOM 815 CA ASN A 55 18.801 12.838 -2.333 1.00 0.00 C ATOM 816 C ASN A 55 17.473 13.191 -1.659 1.00 0.00 C ATOM 817 O ASN A 55 17.450 13.584 -0.494 1.00 0.00 O ATOM 818 CB ASN A 55 19.797 12.447 -1.240 1.00 0.00 C ATOM 819 CG ASN A 55 19.574 11.003 -0.786 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.103 10.735 0.307 1.00 0.00 O ATOM 821 ND2 ASN A 55 19.938 10.092 -1.683 1.00 0.00 N ATOM 0 H ASN A 55 19.078 14.889 -2.660 1.00 0.00 H new ATOM 0 HA ASN A 55 18.681 12.005 -3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.815 12.562 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.691 13.120 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.829 9.099 -1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.326 10.386 -2.580 1.00 0.00 H new ATOM 828 N ARG A 56 16.400 13.037 -2.421 1.00 0.00 N ATOM 829 CA ARG A 56 15.072 13.334 -1.912 1.00 0.00 C ATOM 830 C ARG A 56 14.196 12.080 -1.949 1.00 0.00 C ATOM 831 O ARG A 56 14.669 10.998 -2.296 1.00 0.00 O ATOM 832 CB ARG A 56 14.403 14.439 -2.731 1.00 0.00 C ATOM 833 CG ARG A 56 14.631 14.226 -4.229 1.00 0.00 C ATOM 834 CD ARG A 56 13.483 14.819 -5.048 1.00 0.00 C ATOM 835 NE ARG A 56 13.449 14.203 -6.394 1.00 0.00 N ATOM 836 CZ ARG A 56 14.173 14.635 -7.436 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.989 15.688 -7.294 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.079 14.014 -8.620 1.00 0.00 N ATOM 0 H ARG A 56 16.423 12.710 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 56 15.180 13.675 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.334 14.455 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.801 15.409 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.572 14.689 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.720 13.160 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.535 14.649 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.608 15.898 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 56 12.837 13.400 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.059 16.161 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.540 16.017 -8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.457 13.213 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.630 14.342 -9.413 1.00 0.00 H new ATOM 852 N SER A 57 12.935 12.266 -1.588 1.00 0.00 N ATOM 853 CA SER A 57 11.989 11.164 -1.576 1.00 0.00 C ATOM 854 C SER A 57 10.558 11.703 -1.558 1.00 0.00 C ATOM 855 O SER A 57 10.174 12.426 -0.640 1.00 0.00 O ATOM 856 CB SER A 57 12.227 10.247 -0.374 1.00 0.00 C ATOM 857 OG SER A 57 12.975 10.895 0.652 1.00 0.00 O ATOM 0 H SER A 57 12.546 13.164 -1.301 1.00 0.00 H new ATOM 0 HA SER A 57 12.137 10.576 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.268 9.920 0.028 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.758 9.353 -0.700 1.00 0.00 H new ATOM 0 HG SER A 57 13.104 10.278 1.402 1.00 0.00 H new ATOM 863 N PHE A 58 9.806 11.329 -2.583 1.00 0.00 N ATOM 864 CA PHE A 58 8.425 11.766 -2.696 1.00 0.00 C ATOM 865 C PHE A 58 7.528 11.009 -1.714 1.00 0.00 C ATOM 866 O PHE A 58 7.283 9.816 -1.885 1.00 0.00 O ATOM 867 CB PHE A 58 7.973 11.455 -4.125 1.00 0.00 C ATOM 868 CG PHE A 58 8.723 12.244 -5.200 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.891 11.764 -5.706 1.00 0.00 C ATOM 870 CD2 PHE A 58 8.223 13.426 -5.649 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.587 12.496 -6.703 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.919 14.158 -6.647 1.00 0.00 C ATOM 873 CZ PHE A 58 10.086 13.678 -7.153 1.00 0.00 C ATOM 0 H PHE A 58 10.127 10.728 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 58 8.351 12.829 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.104 10.389 -4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.907 11.665 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.289 10.826 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.296 13.808 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.514 12.115 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.521 15.096 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.615 14.235 -7.912 1.00 0.00 H new ATOM 883 N ILE A 59 7.062 11.734 -0.708 1.00 0.00 N ATOM 884 CA ILE A 59 6.198 11.146 0.301 1.00 0.00 C ATOM 885 C ILE A 59 4.777 11.028 -0.256 1.00 0.00 C ATOM 886 O ILE A 59 4.061 12.023 -0.354 1.00 0.00 O ATOM 887 CB ILE A 59 6.282 11.939 1.607 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.518 11.537 2.413 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.994 11.793 2.421 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.920 12.644 3.390 1.00 0.00 C ATOM 0 H ILE A 59 7.267 12.724 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 59 6.530 10.137 0.545 1.00 0.00 H new ATOM 0 HB ILE A 59 6.388 12.995 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.315 10.618 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.346 11.327 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.080 12.366 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.151 12.167 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.832 10.742 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.801 12.332 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.146 13.555 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.099 12.835 4.081 1.00 0.00 H new ATOM 902 N ALA A 60 4.413 9.803 -0.607 1.00 0.00 N ATOM 903 CA ALA A 60 3.092 9.542 -1.151 1.00 0.00 C ATOM 904 C ALA A 60 2.123 9.241 -0.006 1.00 0.00 C ATOM 905 O ALA A 60 2.221 8.197 0.636 1.00 0.00 O ATOM 906 CB ALA A 60 3.173 8.397 -2.162 1.00 0.00 C ATOM 0 H ALA A 60 5.011 8.980 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 60 2.715 10.418 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.181 8.201 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.850 8.673 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.545 7.500 -1.667 1.00 0.00 H new ATOM 912 N GLU A 61 1.210 10.175 0.215 1.00 0.00 N ATOM 913 CA GLU A 61 0.224 10.023 1.271 1.00 0.00 C ATOM 914 C GLU A 61 -1.184 9.954 0.678 1.00 0.00 C ATOM 915 O GLU A 61 -1.487 10.644 -0.295 1.00 0.00 O ATOM 916 CB GLU A 61 0.334 11.158 2.291 1.00 0.00 C ATOM 917 CG GLU A 61 -0.028 12.503 1.656 1.00 0.00 C ATOM 918 CD GLU A 61 0.437 13.666 2.535 1.00 0.00 C ATOM 919 OE1 GLU A 61 0.018 13.691 3.712 1.00 0.00 O ATOM 920 OE2 GLU A 61 1.200 14.505 2.009 1.00 0.00 O ATOM 0 H GLU A 61 1.132 11.040 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 61 0.423 9.087 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.328 10.960 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.349 11.200 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.432 12.580 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.106 12.562 1.509 1.00 0.00 H new ATOM 927 N MET A 62 -2.008 9.114 1.287 1.00 0.00 N ATOM 928 CA MET A 62 -3.378 8.946 0.831 1.00 0.00 C ATOM 929 C MET A 62 -4.335 8.791 2.015 1.00 0.00 C ATOM 930 O MET A 62 -3.954 8.271 3.062 1.00 0.00 O ATOM 931 CB MET A 62 -3.469 7.708 -0.064 1.00 0.00 C ATOM 932 CG MET A 62 -4.921 7.410 -0.441 1.00 0.00 C ATOM 933 SD MET A 62 -4.982 6.091 -1.642 1.00 0.00 S ATOM 934 CE MET A 62 -5.006 7.045 -3.150 1.00 0.00 C ATOM 0 H MET A 62 -1.754 8.542 2.092 1.00 0.00 H new ATOM 0 HA MET A 62 -3.666 9.834 0.269 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.880 7.864 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.040 6.849 0.452 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.486 7.130 0.448 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.391 8.305 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.187 6.383 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.799 7.790 -3.096 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.046 7.545 -3.279 1.00 0.00 H new ATOM 944 N THR A 63 -5.560 9.252 1.808 1.00 0.00 N ATOM 945 CA THR A 63 -6.574 9.172 2.845 1.00 0.00 C ATOM 946 C THR A 63 -7.926 8.788 2.240 1.00 0.00 C ATOM 947 O THR A 63 -8.306 9.297 1.187 1.00 0.00 O ATOM 948 CB THR A 63 -6.599 10.509 3.587 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.229 10.768 3.883 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.264 10.405 4.961 1.00 0.00 C ATOM 0 H THR A 63 -5.873 9.682 0.938 1.00 0.00 H new ATOM 0 HA THR A 63 -6.341 8.388 3.566 1.00 0.00 H new ATOM 0 HB THR A 63 -7.127 11.248 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.990 10.338 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.255 11.382 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.294 10.068 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.718 9.690 5.577 1.00 0.00 H new ATOM 958 N ILE A 64 -8.615 7.892 2.931 1.00 0.00 N ATOM 959 CA ILE A 64 -9.916 7.434 2.475 1.00 0.00 C ATOM 960 C ILE A 64 -10.864 7.331 3.672 1.00 0.00 C ATOM 961 O ILE A 64 -10.420 7.165 4.807 1.00 0.00 O ATOM 962 CB ILE A 64 -9.779 6.130 1.686 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.731 5.213 2.320 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.478 6.411 0.212 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.876 3.779 1.807 1.00 0.00 C ATOM 0 H ILE A 64 -8.297 7.471 3.804 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.352 8.154 1.783 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.733 5.604 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.732 5.585 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.838 5.228 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.385 5.468 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.289 6.997 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.545 6.968 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.119 3.148 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.868 3.402 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.744 3.765 0.725 1.00 0.00 H new ATOM 977 N TYR A 65 -12.152 7.433 3.377 1.00 0.00 N ATOM 978 CA TYR A 65 -13.166 7.353 4.414 1.00 0.00 C ATOM 979 C TYR A 65 -14.085 6.150 4.192 1.00 0.00 C ATOM 980 O TYR A 65 -14.480 5.867 3.062 1.00 0.00 O ATOM 981 CB TYR A 65 -13.989 8.637 4.298 1.00 0.00 C ATOM 982 CG TYR A 65 -15.258 8.642 5.153 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.372 7.942 4.738 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.288 9.347 6.339 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.567 7.946 5.543 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.482 9.352 7.144 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.563 8.651 6.706 1.00 0.00 C ATOM 988 OH TYR A 65 -18.691 8.656 7.466 1.00 0.00 O ATOM 0 H TYR A 65 -12.516 7.570 2.434 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.704 7.239 5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.366 9.483 4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.266 8.786 3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.348 7.391 3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.416 9.895 6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.446 7.402 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.519 9.900 8.074 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.543 9.199 8.268 1.00 0.00 H new ATOM 998 N ILE A 66 -14.398 5.475 5.288 1.00 0.00 N ATOM 999 CA ILE A 66 -15.263 4.309 5.226 1.00 0.00 C ATOM 1000 C ILE A 66 -16.583 4.621 5.934 1.00 0.00 C ATOM 1001 O ILE A 66 -16.596 4.926 7.126 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.544 3.078 5.782 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.118 2.984 5.235 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.347 1.805 5.510 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.120 2.913 3.707 1.00 0.00 C ATOM 0 H ILE A 66 -14.068 5.713 6.224 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.504 4.068 4.191 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.468 3.185 6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.542 3.850 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.626 2.101 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.814 0.945 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.325 1.883 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.475 1.679 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.094 2.847 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.676 2.033 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.591 3.809 3.302 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.662 4.534 5.170 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.985 4.803 5.709 1.00 0.00 C ATOM 1019 C LYS A 67 -19.459 3.591 6.514 1.00 0.00 C ATOM 1020 O LYS A 67 -20.100 3.744 7.553 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.946 5.213 4.592 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.976 4.161 3.481 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.660 4.788 2.122 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.594 4.248 1.038 1.00 0.00 C ATOM 1025 NZ LYS A 67 -21.283 5.360 0.346 1.00 0.00 N ATOM 0 H LYS A 67 -17.647 4.281 4.182 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.952 5.649 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.948 5.345 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.641 6.174 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.253 3.375 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.958 3.690 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.759 5.872 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.625 4.578 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.024 3.661 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.329 3.578 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.913 4.976 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -21.843 5.903 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.578 5.984 -0.096 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.125 2.415 6.005 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.508 1.178 6.664 1.00 0.00 C ATOM 1041 C GLN A 68 -18.858 1.089 8.046 1.00 0.00 C ATOM 1042 O GLN A 68 -19.292 0.307 8.891 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.143 -0.036 5.807 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.645 -0.056 5.496 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.255 -1.340 4.760 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.129 -2.405 5.341 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.072 -1.179 3.452 1.00 0.00 N ATOM 0 H GLN A 68 -18.593 2.292 5.143 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.590 1.178 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.422 -0.951 6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.711 -0.013 4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.385 0.810 4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.076 0.023 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.194 -0.259 3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.810 -1.976 2.872 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.828 1.901 8.234 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.114 1.924 9.499 1.00 0.00 C ATOM 1058 C LEU A 69 -17.526 3.168 10.290 1.00 0.00 C ATOM 1059 O LEU A 69 -17.665 3.113 11.511 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.606 1.815 9.265 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.117 0.508 8.639 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.637 0.272 8.948 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -15.989 -0.670 9.078 1.00 0.00 C ATOM 0 H LEU A 69 -17.471 2.548 7.531 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.383 1.058 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.298 2.640 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.100 1.949 10.221 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.210 0.592 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.315 -0.664 8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.046 1.095 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.495 0.217 10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.620 -1.587 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.951 -0.767 10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.019 -0.497 8.765 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.709 4.259 9.561 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.102 5.514 10.179 1.00 0.00 C ATOM 1077 C GLY A 70 -16.882 6.393 10.459 1.00 0.00 C ATOM 1078 O GLY A 70 -16.987 7.405 11.151 1.00 0.00 O ATOM 0 H GLY A 70 -17.592 4.300 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.794 6.044 9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.632 5.315 11.110 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.752 5.975 9.908 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.513 6.711 10.090 1.00 0.00 C ATOM 1084 C ARG A 71 -13.701 6.713 8.793 1.00 0.00 C ATOM 1085 O ARG A 71 -14.186 6.271 7.752 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.669 6.101 11.211 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.295 4.653 10.889 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.858 4.560 10.371 1.00 0.00 C ATOM 1089 NE ARG A 71 -11.051 3.703 11.267 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.473 4.132 12.397 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.610 5.410 12.776 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.758 3.283 13.149 1.00 0.00 N ATOM 0 H ARG A 71 -15.669 5.135 9.335 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.772 7.734 10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.764 6.691 11.352 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.223 6.137 12.149 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.404 4.038 11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.981 4.254 10.142 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.853 4.151 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.418 5.556 10.314 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.927 2.724 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.154 6.056 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.170 5.737 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.654 2.310 12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.318 3.610 14.009 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.480 7.215 8.898 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.596 7.280 7.746 1.00 0.00 C ATOM 1108 C ARG A 72 -10.160 6.949 8.159 1.00 0.00 C ATOM 1109 O ARG A 72 -9.758 7.219 9.289 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.627 8.669 7.105 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.518 9.765 8.167 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.287 10.641 7.926 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.650 12.071 8.053 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.355 12.751 7.139 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.777 12.137 6.025 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.638 14.045 7.339 1.00 0.00 N ATOM 0 H ARG A 72 -12.081 7.581 9.763 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.947 6.548 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.806 8.764 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.552 8.793 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.416 10.382 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.459 9.313 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.506 10.390 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.881 10.447 6.933 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.344 12.569 8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.561 11.152 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.314 12.655 5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.317 14.512 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.175 14.563 6.643 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.427 6.368 7.220 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.046 5.997 7.472 1.00 0.00 C ATOM 1132 C ILE A 73 -7.124 6.864 6.612 1.00 0.00 C ATOM 1133 O ILE A 73 -7.531 7.353 5.559 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.848 4.494 7.264 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.410 4.049 5.912 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.446 3.696 8.424 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -8.067 2.585 5.631 1.00 0.00 C ATOM 0 H ILE A 73 -9.764 6.145 6.284 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.784 6.188 8.513 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.777 4.289 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.492 4.181 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.005 4.680 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.291 2.631 8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.959 3.987 9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.514 3.901 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.478 2.294 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.984 2.461 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.494 1.955 6.411 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.900 7.028 7.092 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.918 7.827 6.379 1.00 0.00 C ATOM 1151 C PHE A 74 -3.578 7.093 6.286 1.00 0.00 C ATOM 1152 O PHE A 74 -3.251 6.279 7.148 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.725 9.116 7.180 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.428 9.861 6.857 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.233 9.349 7.258 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.469 11.034 6.170 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.029 10.040 6.959 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.266 11.725 5.871 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.071 11.213 6.272 1.00 0.00 C ATOM 0 H PHE A 74 -5.566 6.621 7.966 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.264 8.026 5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.569 9.779 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.739 8.877 8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.200 8.417 7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.418 11.440 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.080 9.634 7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.299 12.657 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.155 11.738 6.045 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.839 7.409 5.233 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.542 6.791 5.016 1.00 0.00 C ATOM 1171 C ALA A 75 -0.542 7.858 4.567 1.00 0.00 C ATOM 1172 O ALA A 75 -0.934 8.909 4.064 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.681 5.657 3.997 1.00 0.00 C ATOM 0 H ALA A 75 -3.114 8.085 4.520 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.165 6.355 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.708 5.193 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.380 4.911 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.054 6.058 3.055 1.00 0.00 H new ATOM 1179 N ARG A 76 0.732 7.550 4.767 1.00 0.00 N ATOM 1180 CA ARG A 76 1.791 8.470 4.389 1.00 0.00 C ATOM 1181 C ARG A 76 3.155 7.788 4.513 1.00 0.00 C ATOM 1182 O ARG A 76 3.706 7.688 5.609 1.00 0.00 O ATOM 1183 CB ARG A 76 1.773 9.722 5.268 1.00 0.00 C ATOM 1184 CG ARG A 76 2.768 10.765 4.757 1.00 0.00 C ATOM 1185 CD ARG A 76 3.766 11.153 5.850 1.00 0.00 C ATOM 1186 NE ARG A 76 3.272 12.336 6.590 1.00 0.00 N ATOM 1187 CZ ARG A 76 3.834 12.809 7.710 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.911 12.204 8.227 1.00 0.00 N ATOM 1189 NH2 ARG A 76 3.317 13.888 8.315 1.00 0.00 N ATOM 0 H ARG A 76 1.054 6.677 5.185 1.00 0.00 H new ATOM 0 HA ARG A 76 1.620 8.765 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.769 10.147 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.018 9.453 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.304 10.369 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.230 11.651 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.909 10.318 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.737 11.371 5.406 1.00 0.00 H new ATOM 0 HE ARG A 76 2.453 12.821 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.304 11.382 7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.338 12.565 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.496 14.348 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.745 14.248 9.168 1.00 0.00 H new ATOM 1203 N GLU A 77 3.661 7.335 3.375 1.00 0.00 N ATOM 1204 CA GLU A 77 4.950 6.665 3.343 1.00 0.00 C ATOM 1205 C GLU A 77 5.974 7.521 2.595 1.00 0.00 C ATOM 1206 O GLU A 77 5.649 8.604 2.111 1.00 0.00 O ATOM 1207 CB GLU A 77 4.830 5.276 2.712 1.00 0.00 C ATOM 1208 CG GLU A 77 4.049 4.326 3.622 1.00 0.00 C ATOM 1209 CD GLU A 77 4.994 3.539 4.533 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.666 2.629 4.002 1.00 0.00 O ATOM 1211 OE2 GLU A 77 5.022 3.866 5.739 1.00 0.00 O ATOM 0 H GLU A 77 3.201 7.419 2.468 1.00 0.00 H new ATOM 0 HA GLU A 77 5.295 6.533 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.330 5.353 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.824 4.871 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.344 4.895 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.463 3.635 3.016 1.00 0.00 H new ATOM 1218 N HIS A 78 7.191 7.003 2.524 1.00 0.00 N ATOM 1219 CA HIS A 78 8.265 7.706 1.843 1.00 0.00 C ATOM 1220 C HIS A 78 8.987 6.746 0.895 1.00 0.00 C ATOM 1221 O HIS A 78 10.158 6.428 1.100 1.00 0.00 O ATOM 1222 CB HIS A 78 9.209 8.364 2.852 1.00 0.00 C ATOM 1223 CG HIS A 78 9.317 7.625 4.164 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.532 6.260 4.241 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.238 8.075 5.450 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.578 5.915 5.519 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.395 7.041 6.267 1.00 0.00 N ATOM 0 H HIS A 78 7.457 6.105 2.927 1.00 0.00 H new ATOM 0 HA HIS A 78 7.850 8.514 1.240 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.201 8.442 2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.866 9.380 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.075 9.099 5.752 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.733 4.917 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.381 7.082 7.286 1.00 0.00 H new ATOM 1235 N GLY A 79 8.259 6.310 -0.122 1.00 0.00 N ATOM 1236 CA GLY A 79 8.815 5.393 -1.102 1.00 0.00 C ATOM 1237 C GLY A 79 9.931 6.062 -1.908 1.00 0.00 C ATOM 1238 O GLY A 79 10.284 7.212 -1.650 1.00 0.00 O ATOM 0 H GLY A 79 7.288 6.575 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.205 4.509 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.028 5.054 -1.776 1.00 0.00 H new ATOM 1242 N SER A 80 10.456 5.313 -2.866 1.00 0.00 N ATOM 1243 CA SER A 80 11.524 5.818 -3.711 1.00 0.00 C ATOM 1244 C SER A 80 10.937 6.607 -4.883 1.00 0.00 C ATOM 1245 O SER A 80 11.181 7.805 -5.014 1.00 0.00 O ATOM 1246 CB SER A 80 12.405 4.678 -4.226 1.00 0.00 C ATOM 1247 OG SER A 80 13.561 4.488 -3.415 1.00 0.00 O ATOM 0 H SER A 80 10.161 4.359 -3.076 1.00 0.00 H new ATOM 0 HA SER A 80 12.148 6.481 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.825 3.755 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.712 4.891 -5.250 1.00 0.00 H new ATOM 0 HG SER A 80 14.096 3.751 -3.776 1.00 0.00 H new ATOM 1253 N ASN A 81 10.174 5.902 -5.705 1.00 0.00 N ATOM 1254 CA ASN A 81 9.549 6.521 -6.862 1.00 0.00 C ATOM 1255 C ASN A 81 8.057 6.719 -6.586 1.00 0.00 C ATOM 1256 O ASN A 81 7.499 6.088 -5.690 1.00 0.00 O ATOM 1257 CB ASN A 81 9.688 5.636 -8.102 1.00 0.00 C ATOM 1258 CG ASN A 81 11.137 5.186 -8.295 1.00 0.00 C ATOM 1259 OD1 ASN A 81 12.052 5.984 -8.410 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.294 3.865 -8.324 1.00 0.00 N ATOM 0 H ASN A 81 9.974 4.908 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 81 10.044 7.475 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.042 4.763 -8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.353 6.183 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.224 3.465 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.485 3.253 -8.222 1.00 0.00 H new ATOM 1267 N LYS A 82 7.454 7.597 -7.373 1.00 0.00 N ATOM 1268 CA LYS A 82 6.037 7.886 -7.225 1.00 0.00 C ATOM 1269 C LYS A 82 5.268 6.573 -7.063 1.00 0.00 C ATOM 1270 O LYS A 82 4.558 6.383 -6.077 1.00 0.00 O ATOM 1271 CB LYS A 82 5.542 8.749 -8.387 1.00 0.00 C ATOM 1272 CG LYS A 82 5.757 10.236 -8.095 1.00 0.00 C ATOM 1273 CD LYS A 82 5.110 11.106 -9.175 1.00 0.00 C ATOM 1274 CE LYS A 82 5.029 12.566 -8.727 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.974 13.400 -9.503 1.00 0.00 N ATOM 0 H LYS A 82 7.920 8.118 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 82 5.860 8.473 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.070 8.474 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.483 8.558 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.334 10.484 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.825 10.449 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.687 11.036 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.110 10.734 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.013 12.938 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.258 12.640 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.906 14.388 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.944 13.055 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.737 13.344 -10.514 1.00 0.00 H new ATOM 1289 N LYS A 83 5.436 5.701 -8.047 1.00 0.00 N ATOM 1290 CA LYS A 83 4.767 4.411 -8.026 1.00 0.00 C ATOM 1291 C LYS A 83 4.927 3.781 -6.641 1.00 0.00 C ATOM 1292 O LYS A 83 3.955 3.647 -5.899 1.00 0.00 O ATOM 1293 CB LYS A 83 5.272 3.526 -9.167 1.00 0.00 C ATOM 1294 CG LYS A 83 4.121 3.095 -10.077 1.00 0.00 C ATOM 1295 CD LYS A 83 3.619 4.269 -10.920 1.00 0.00 C ATOM 1296 CE LYS A 83 2.156 4.071 -11.321 1.00 0.00 C ATOM 1297 NZ LYS A 83 1.824 4.900 -12.501 1.00 0.00 N ATOM 0 H LYS A 83 6.026 5.863 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 83 3.698 4.534 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.017 4.067 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.766 2.645 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.452 2.289 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.304 2.700 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.723 5.196 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.234 4.369 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.973 3.020 -11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.505 4.337 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.827 4.753 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.979 5.903 -12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.432 4.627 -13.299 1.00 0.00 H new ATOM 1311 N LEU A 84 6.161 3.409 -6.334 1.00 0.00 N ATOM 1312 CA LEU A 84 6.462 2.796 -5.052 1.00 0.00 C ATOM 1313 C LEU A 84 5.721 3.550 -3.945 1.00 0.00 C ATOM 1314 O LEU A 84 4.792 3.017 -3.341 1.00 0.00 O ATOM 1315 CB LEU A 84 7.974 2.717 -4.837 1.00 0.00 C ATOM 1316 CG LEU A 84 8.689 1.550 -5.521 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.187 1.567 -5.211 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.042 0.215 -5.148 1.00 0.00 C ATOM 0 H LEU A 84 6.965 3.521 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 84 6.107 1.766 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.420 3.647 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.166 2.657 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 84 8.582 1.669 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.671 0.727 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.622 2.501 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.337 1.485 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.570 -0.597 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.097 0.073 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.998 0.216 -5.461 1.00 0.00 H new ATOM 1330 N ALA A 85 6.162 4.778 -3.713 1.00 0.00 N ATOM 1331 CA ALA A 85 5.553 5.610 -2.690 1.00 0.00 C ATOM 1332 C ALA A 85 4.042 5.365 -2.672 1.00 0.00 C ATOM 1333 O ALA A 85 3.441 5.253 -1.605 1.00 0.00 O ATOM 1334 CB ALA A 85 5.903 7.077 -2.949 1.00 0.00 C ATOM 0 H ALA A 85 6.934 5.216 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 85 5.941 5.352 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.446 7.701 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.985 7.203 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.527 7.373 -3.928 1.00 0.00 H new ATOM 1340 N ALA A 86 3.473 5.290 -3.866 1.00 0.00 N ATOM 1341 CA ALA A 86 2.044 5.061 -4.000 1.00 0.00 C ATOM 1342 C ALA A 86 1.704 3.667 -3.469 1.00 0.00 C ATOM 1343 O ALA A 86 0.875 3.527 -2.570 1.00 0.00 O ATOM 1344 CB ALA A 86 1.633 5.244 -5.463 1.00 0.00 C ATOM 0 H ALA A 86 3.975 5.384 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 86 1.482 5.785 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.561 5.072 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.870 6.259 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.175 4.531 -6.085 1.00 0.00 H new ATOM 1350 N GLN A 87 2.359 2.672 -4.047 1.00 0.00 N ATOM 1351 CA GLN A 87 2.136 1.294 -3.643 1.00 0.00 C ATOM 1352 C GLN A 87 2.101 1.187 -2.117 1.00 0.00 C ATOM 1353 O GLN A 87 1.100 0.761 -1.544 1.00 0.00 O ATOM 1354 CB GLN A 87 3.203 0.370 -4.233 1.00 0.00 C ATOM 1355 CG GLN A 87 2.885 0.024 -5.689 1.00 0.00 C ATOM 1356 CD GLN A 87 2.845 -1.492 -5.896 1.00 0.00 C ATOM 1357 OE1 GLN A 87 1.847 -2.151 -5.656 1.00 0.00 O ATOM 1358 NE2 GLN A 87 3.983 -2.005 -6.354 1.00 0.00 N ATOM 0 H GLN A 87 3.045 2.792 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 87 1.170 0.974 -4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.179 0.852 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.264 -0.545 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.925 0.458 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.637 0.464 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.781 -1.396 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.058 -3.008 -6.525 1.00 0.00 H new ATOM 1367 N SER A 88 3.207 1.582 -1.503 1.00 0.00 N ATOM 1368 CA SER A 88 3.315 1.536 -0.055 1.00 0.00 C ATOM 1369 C SER A 88 2.064 2.143 0.583 1.00 0.00 C ATOM 1370 O SER A 88 1.418 1.510 1.416 1.00 0.00 O ATOM 1371 CB SER A 88 4.567 2.271 0.427 1.00 0.00 C ATOM 1372 OG SER A 88 5.583 1.370 0.860 1.00 0.00 O ATOM 0 H SER A 88 4.036 1.935 -1.982 1.00 0.00 H new ATOM 0 HA SER A 88 3.400 0.493 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.955 2.894 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.302 2.939 1.246 1.00 0.00 H new ATOM 0 HG SER A 88 6.366 1.879 1.158 1.00 0.00 H new ATOM 1378 N CYS A 89 1.761 3.364 0.168 1.00 0.00 N ATOM 1379 CA CYS A 89 0.599 4.064 0.688 1.00 0.00 C ATOM 1380 C CYS A 89 -0.611 3.133 0.582 1.00 0.00 C ATOM 1381 O CYS A 89 -1.200 2.757 1.594 1.00 0.00 O ATOM 1382 CB CYS A 89 0.364 5.390 -0.039 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.529 6.554 1.054 1.00 0.00 S ATOM 0 H CYS A 89 2.300 3.887 -0.522 1.00 0.00 H new ATOM 0 HA CYS A 89 0.766 4.323 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.318 5.822 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.211 5.218 -0.949 1.00 0.00 H new ATOM 0 HG CYS A 89 0.257 6.936 2.016 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.945 2.788 -0.653 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.074 1.908 -0.904 1.00 0.00 C ATOM 1391 C ALA A 90 -2.077 0.782 0.131 1.00 0.00 C ATOM 1392 O ALA A 90 -2.942 0.738 1.004 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.001 1.382 -2.339 1.00 0.00 C ATOM 0 H ALA A 90 -0.454 3.102 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.014 2.450 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.847 0.722 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.032 2.220 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.072 0.829 -2.477 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.099 -0.103 -0.002 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.978 -1.227 0.911 1.00 0.00 C ATOM 1401 C LEU A 91 -1.292 -0.759 2.334 1.00 0.00 C ATOM 1402 O LEU A 91 -1.923 -1.482 3.104 1.00 0.00 O ATOM 1403 CB LEU A 91 0.395 -1.887 0.769 1.00 0.00 C ATOM 1404 CG LEU A 91 0.668 -3.073 1.696 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.220 -4.266 1.336 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.153 -3.442 1.693 1.00 0.00 C ATOM 0 H LEU A 91 -0.384 -0.064 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.705 -2.000 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.510 -2.223 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.160 -1.130 0.945 1.00 0.00 H new ATOM 0 HG LEU A 91 0.413 -2.777 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.006 -5.095 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.268 -3.982 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.020 -4.572 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.319 -4.288 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.459 -3.712 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.740 -2.590 2.035 1.00 0.00 H new ATOM 1418 N SER A 92 -0.836 0.447 2.640 1.00 0.00 N ATOM 1419 CA SER A 92 -1.060 1.020 3.956 1.00 0.00 C ATOM 1420 C SER A 92 -2.556 1.029 4.275 1.00 0.00 C ATOM 1421 O SER A 92 -2.973 0.549 5.328 1.00 0.00 O ATOM 1422 CB SER A 92 -0.489 2.436 4.044 1.00 0.00 C ATOM 1423 OG SER A 92 -0.033 2.747 5.358 1.00 0.00 O ATOM 0 H SER A 92 -0.312 1.043 1.999 1.00 0.00 H new ATOM 0 HA SER A 92 -0.543 0.403 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.337 2.538 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.253 3.154 3.746 1.00 0.00 H new ATOM 0 HG SER A 92 0.326 3.659 5.372 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.323 1.581 3.347 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.764 1.659 3.516 1.00 0.00 C ATOM 1431 C LEU A 93 -5.353 0.247 3.496 1.00 0.00 C ATOM 1432 O LEU A 93 -6.196 -0.089 4.326 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.376 2.595 2.472 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.841 4.028 2.460 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.735 4.585 3.881 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.510 4.111 1.711 1.00 0.00 C ATOM 0 H LEU A 93 -2.974 1.979 2.475 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.011 2.094 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.216 2.160 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.453 2.632 2.633 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.552 4.653 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.352 5.605 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.720 4.584 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.057 3.964 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.152 5.141 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.777 3.469 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.651 3.783 0.681 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.885 -0.542 2.540 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.355 -1.910 2.401 1.00 0.00 C ATOM 1450 C VAL A 94 -5.224 -2.628 3.746 1.00 0.00 C ATOM 1451 O VAL A 94 -6.222 -3.045 4.331 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.597 -2.611 1.272 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.238 -3.960 0.937 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.514 -1.720 0.031 1.00 0.00 C ATOM 0 H VAL A 94 -4.185 -0.260 1.854 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.409 -1.926 2.125 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.580 -2.799 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.680 -4.438 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.221 -4.600 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.270 -3.804 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.970 -2.242 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.520 -1.486 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.992 -0.796 0.281 1.00 0.00 H new ATOM 1464 N ARG A 95 -3.984 -2.750 4.197 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.710 -3.411 5.462 1.00 0.00 C ATOM 1466 C ARG A 95 -4.731 -2.982 6.517 1.00 0.00 C ATOM 1467 O ARG A 95 -5.411 -3.821 7.105 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.301 -3.082 5.961 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.399 -4.316 5.909 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.048 -3.981 5.273 1.00 0.00 C ATOM 1471 NE ARG A 95 0.990 -3.867 6.322 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.499 -4.909 6.992 1.00 0.00 C ATOM 1473 NH1 ARG A 95 1.069 -6.151 6.727 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.438 -4.711 7.927 1.00 0.00 N ATOM 0 H ARG A 95 -3.158 -2.403 3.709 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.783 -4.486 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.872 -2.287 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.352 -2.707 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.245 -4.701 6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.888 -5.105 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.229 -4.756 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.120 -3.046 4.718 1.00 0.00 H new ATOM 0 HE ARG A 95 1.340 -2.936 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.354 -6.302 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.457 -6.945 7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.766 -3.766 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.825 -5.505 8.437 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.805 -1.675 6.726 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.731 -1.125 7.700 1.00 0.00 C ATOM 1490 C GLN A 96 -7.151 -1.623 7.424 1.00 0.00 C ATOM 1491 O GLN A 96 -7.807 -2.165 8.313 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.678 0.404 7.704 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.835 0.921 8.871 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.374 1.102 8.454 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -2.495 0.345 8.832 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.165 2.146 7.657 1.00 0.00 N ATOM 0 H GLN A 96 -4.239 -0.982 6.237 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.432 -1.469 8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.259 0.759 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.689 0.806 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.237 1.871 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.895 0.222 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.946 2.740 7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.223 2.353 7.324 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.584 -1.423 6.188 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.914 -1.845 5.783 1.00 0.00 C ATOM 1507 C LEU A 97 -9.168 -3.268 6.287 1.00 0.00 C ATOM 1508 O LEU A 97 -10.120 -3.507 7.029 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.090 -1.688 4.271 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.148 -0.251 3.749 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.822 -0.197 2.255 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.500 0.393 4.064 1.00 0.00 C ATOM 0 H LEU A 97 -7.037 -0.974 5.453 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.671 -1.205 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.267 -2.201 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.007 -2.198 3.977 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.386 0.331 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.870 0.836 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.819 -0.590 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.544 -0.799 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.515 1.414 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.296 -0.183 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.654 0.407 5.143 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.301 -4.175 5.863 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.419 -5.567 6.262 1.00 0.00 C ATOM 1526 C TYR A 98 -8.583 -5.691 7.778 1.00 0.00 C ATOM 1527 O TYR A 98 -9.601 -6.188 8.258 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.108 -6.238 5.847 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.821 -7.550 6.578 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.303 -8.741 6.073 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.081 -7.544 7.743 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.033 -9.977 6.762 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.811 -8.780 8.431 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.301 -9.935 7.907 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.046 -11.102 8.557 1.00 0.00 O ATOM 0 H TYR A 98 -7.514 -3.973 5.247 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.290 -6.027 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.134 -6.430 4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.285 -5.546 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.882 -8.746 5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.704 -6.612 8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.404 -10.916 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.232 -8.789 9.343 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.238 -11.513 8.186 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.566 -5.230 8.491 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.584 -5.283 9.943 1.00 0.00 C ATOM 1547 C HIS A 99 -8.970 -4.884 10.453 1.00 0.00 C ATOM 1548 O HIS A 99 -9.626 -5.658 11.150 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.465 -4.422 10.533 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.956 -3.268 11.374 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.815 -3.434 12.447 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.700 -1.931 11.289 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.058 -2.244 12.976 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.367 -1.314 12.256 1.00 0.00 N ATOM 0 H HIS A 99 -6.724 -4.818 8.090 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.391 -6.303 10.275 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.818 -5.053 11.143 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.854 -4.031 9.719 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.196 -4.322 12.775 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.063 -1.455 10.559 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.692 -2.045 13.828 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.376 -3.677 10.087 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.673 -3.167 10.499 1.00 0.00 C ATOM 1564 C LEU A 100 -11.752 -4.199 10.167 1.00 0.00 C ATOM 1565 O LEU A 100 -12.562 -4.553 11.022 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.927 -1.790 9.881 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.179 -0.619 10.520 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -9.926 0.493 9.500 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.920 -0.105 11.756 1.00 0.00 C ATOM 0 H LEU A 100 -8.830 -3.037 9.510 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.698 -3.017 11.578 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.660 -1.833 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.996 -1.583 9.931 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.205 -0.977 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.393 1.313 9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.326 0.103 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.878 0.856 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.367 0.727 12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.916 0.231 11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.005 -0.907 12.489 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.728 -4.654 8.923 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.694 -5.639 8.467 1.00 0.00 C ATOM 1583 C GLY A 101 -13.485 -5.116 7.266 1.00 0.00 C ATOM 1584 O GLY A 101 -14.700 -5.297 7.192 1.00 0.00 O ATOM 0 H GLY A 101 -11.054 -4.359 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.179 -6.560 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.379 -5.885 9.279 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.765 -4.478 6.356 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.384 -3.927 5.162 1.00 0.00 C ATOM 1590 C VAL A 102 -13.085 -4.839 3.971 1.00 0.00 C ATOM 1591 O VAL A 102 -13.951 -5.069 3.128 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.915 -2.487 4.945 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.472 -1.920 3.638 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.295 -1.602 6.134 1.00 0.00 C ATOM 0 H VAL A 102 -11.758 -4.330 6.421 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.467 -3.887 5.278 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.828 -2.496 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.123 -0.895 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.129 -2.529 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.561 -1.931 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.950 -0.584 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.378 -1.602 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.828 -1.989 7.040 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.857 -5.334 3.939 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.432 -6.216 2.865 1.00 0.00 C ATOM 1606 C ILE A 103 -11.202 -7.621 3.425 1.00 0.00 C ATOM 1607 O ILE A 103 -11.103 -7.801 4.638 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.215 -5.635 2.143 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.136 -5.212 3.142 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.623 -4.485 1.220 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.860 -4.775 2.418 1.00 0.00 C ATOM 0 H ILE A 103 -11.142 -5.141 4.640 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.213 -6.298 2.109 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.785 -6.415 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.507 -4.393 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.912 -6.041 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.739 -4.090 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.330 -4.850 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.091 -3.695 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.109 -4.479 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.478 -5.603 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.083 -3.931 1.766 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.122 -8.581 2.515 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.905 -9.964 2.904 1.00 0.00 C ATOM 1625 C GLU A 104 -9.563 -10.463 2.364 1.00 0.00 C ATOM 1626 O GLU A 104 -9.174 -10.121 1.248 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.054 -10.855 2.425 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.233 -10.752 0.909 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.422 -11.592 0.439 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.569 -12.714 0.969 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.157 -11.092 -0.439 1.00 0.00 O ATOM 0 H GLU A 104 -11.204 -8.428 1.510 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.878 -10.015 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.856 -11.890 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.978 -10.563 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.385 -9.710 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.325 -11.088 0.408 1.00 0.00 H new ATOM 1638 N ALA A 105 -8.893 -11.263 3.180 1.00 0.00 N ATOM 1639 CA ALA A 105 -7.603 -11.811 2.798 1.00 0.00 C ATOM 1640 C ALA A 105 -7.643 -12.217 1.324 1.00 0.00 C ATOM 1641 O ALA A 105 -8.688 -12.619 0.814 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.256 -12.985 3.716 1.00 0.00 C ATOM 0 H ALA A 105 -9.219 -11.545 4.104 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.819 -11.063 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.288 -13.397 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.212 -12.639 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.020 -13.757 3.624 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.492 -12.097 0.679 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.382 -12.446 -0.727 1.00 0.00 C ATOM 1650 C TYR A 106 -6.474 -13.961 -0.925 1.00 0.00 C ATOM 1651 O TYR A 106 -6.894 -14.684 -0.023 1.00 0.00 O ATOM 1652 CB TYR A 106 -4.998 -11.969 -1.173 1.00 0.00 C ATOM 1653 CG TYR A 106 -4.905 -11.636 -2.664 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -5.694 -10.637 -3.198 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -4.032 -12.334 -3.473 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -5.606 -10.324 -4.601 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -3.945 -12.021 -4.876 1.00 0.00 C ATOM 1658 CZ TYR A 106 -4.736 -11.031 -5.371 1.00 0.00 C ATOM 1659 OH TYR A 106 -4.654 -10.735 -6.695 1.00 0.00 O ATOM 0 H TYR A 106 -5.627 -11.763 1.104 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.188 -11.987 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -4.726 -11.085 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.265 -12.741 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.377 -10.091 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.414 -13.115 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -6.217 -9.545 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.267 -12.560 -5.521 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.991 -11.319 -7.120 1.00 0.00 H new ATOM 1669 N SER A 107 -6.074 -14.396 -2.111 1.00 0.00 N ATOM 1670 CA SER A 107 -6.106 -15.811 -2.439 1.00 0.00 C ATOM 1671 C SER A 107 -4.682 -16.336 -2.632 1.00 0.00 C ATOM 1672 O SER A 107 -3.989 -16.633 -1.660 1.00 0.00 O ATOM 1673 CB SER A 107 -6.941 -16.067 -3.695 1.00 0.00 C ATOM 1674 OG SER A 107 -8.325 -16.225 -3.394 1.00 0.00 O ATOM 0 H SER A 107 -5.726 -13.793 -2.857 1.00 0.00 H new ATOM 0 HA SER A 107 -6.573 -16.343 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.814 -15.237 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.575 -16.962 -4.197 1.00 0.00 H new ATOM 0 HG SER A 107 -8.580 -17.164 -3.511 1.00 0.00 H new ATOM 1680 N SER A 108 -4.288 -16.435 -3.893 1.00 0.00 N ATOM 1681 CA SER A 108 -2.959 -16.919 -4.225 1.00 0.00 C ATOM 1682 C SER A 108 -2.792 -18.362 -3.744 1.00 0.00 C ATOM 1683 O SER A 108 -2.897 -18.638 -2.550 1.00 0.00 O ATOM 1684 CB SER A 108 -1.878 -16.027 -3.612 1.00 0.00 C ATOM 1685 OG SER A 108 -0.648 -16.110 -4.327 1.00 0.00 O ATOM 0 H SER A 108 -4.866 -16.188 -4.697 1.00 0.00 H new ATOM 0 HA SER A 108 -2.845 -16.888 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.223 -14.993 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.714 -16.317 -2.574 1.00 0.00 H new ATOM 0 HG SER A 108 0.016 -15.525 -3.905 1.00 0.00 H new ATOM 1691 N GLY A 109 -2.534 -19.244 -4.699 1.00 0.00 N ATOM 1692 CA GLY A 109 -2.352 -20.652 -4.387 1.00 0.00 C ATOM 1693 C GLY A 109 -1.328 -20.837 -3.266 1.00 0.00 C ATOM 1694 O GLY A 109 -0.444 -20.001 -3.083 1.00 0.00 O ATOM 0 H GLY A 109 -2.447 -19.011 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.305 -21.088 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.022 -21.186 -5.278 1.00 0.00 H new ATOM 1698 N PRO A 110 -1.485 -21.966 -2.525 1.00 0.00 N ATOM 1699 CA PRO A 110 -0.585 -22.272 -1.426 1.00 0.00 C ATOM 1700 C PRO A 110 0.769 -22.760 -1.946 1.00 0.00 C ATOM 1701 O PRO A 110 0.880 -23.878 -2.447 1.00 0.00 O ATOM 1702 CB PRO A 110 -1.315 -23.317 -0.598 1.00 0.00 C ATOM 1703 CG PRO A 110 -2.385 -23.897 -1.509 1.00 0.00 C ATOM 1704 CD PRO A 110 -2.520 -22.979 -2.713 1.00 0.00 C ATOM 0 HA PRO A 110 -0.349 -21.397 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.630 -24.093 -0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.759 -22.870 0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.112 -24.904 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.335 -23.975 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.375 -23.525 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.511 -22.528 -2.758 1.00 0.00 H new ATOM 1712 N SER A 111 1.765 -21.897 -1.808 1.00 0.00 N ATOM 1713 CA SER A 111 3.107 -22.226 -2.258 1.00 0.00 C ATOM 1714 C SER A 111 4.126 -21.304 -1.584 1.00 0.00 C ATOM 1715 O SER A 111 4.417 -20.221 -2.088 1.00 0.00 O ATOM 1716 CB SER A 111 3.220 -22.119 -3.780 1.00 0.00 C ATOM 1717 OG SER A 111 3.892 -23.241 -4.346 1.00 0.00 O ATOM 0 H SER A 111 1.670 -20.971 -1.391 1.00 0.00 H new ATOM 0 HA SER A 111 3.318 -23.258 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.223 -22.038 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.756 -21.206 -4.040 1.00 0.00 H new ATOM 0 HG SER A 111 3.942 -23.136 -5.319 1.00 0.00 H new ATOM 1723 N SER A 112 4.639 -21.768 -0.454 1.00 0.00 N ATOM 1724 CA SER A 112 5.619 -20.999 0.294 1.00 0.00 C ATOM 1725 C SER A 112 6.349 -21.906 1.287 1.00 0.00 C ATOM 1726 O SER A 112 7.570 -22.041 1.227 1.00 0.00 O ATOM 1727 CB SER A 112 4.957 -19.831 1.029 1.00 0.00 C ATOM 1728 OG SER A 112 5.670 -18.611 0.844 1.00 0.00 O ATOM 0 H SER A 112 4.394 -22.667 -0.038 1.00 0.00 H new ATOM 0 HA SER A 112 6.342 -20.587 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.934 -19.711 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.898 -20.059 2.093 1.00 0.00 H new ATOM 0 HG SER A 112 5.215 -17.890 1.327 1.00 0.00 H new ATOM 1734 N GLY A 113 5.570 -22.503 2.177 1.00 0.00 N ATOM 1735 CA GLY A 113 6.128 -23.393 3.181 1.00 0.00 C ATOM 1736 C GLY A 113 5.025 -23.990 4.057 1.00 0.00 C ATOM 1737 O GLY A 113 5.099 -23.929 5.283 1.00 0.00 O ATOM 0 H GLY A 113 4.558 -22.388 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.684 -24.194 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.836 -22.846 3.804 1.00 0.00 H new TER 1741 GLY A 113