USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= 0.285 K(o=0.56,f=-1.9) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0.274 USER MOD Set 2.1: A 26 ASN : amide:sc= -0.0344 K(o=-1.5,f=-3.1) USER MOD Set 2.2: A 29 CYS SG : rot -146:sc= -1.5 USER MOD Set 3.1: A 21 THR OG1 : rot -90:sc= 0.291 USER MOD Set 3.2: A 24 TYR OH : rot 30:sc= 0.278 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0828 (180deg=-0.473) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.15) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 16 CYS SG : rot -144:sc= -0.0707 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.24 F(o=-1.1,f=-0.24) USER MOD Single : A 31 THR OG1 : rot -32:sc= -0.888 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 38 SER OG : rot -59:sc= 0.163 USER MOD Single : A 40 THR OG1 : rot -74:sc= 0.0771 USER MOD Single : A 42 CYS SG : rot 110:sc= 0.108 USER MOD Single : A 45 MET CE :methyl -169:sc= -1.78 (180deg=-1.95) USER MOD Single : A 46 THR OG1 : rot 90:sc= -0.116 USER MOD Single : A 53 SER OG : rot 74:sc= 0.308 USER MOD Single : A 58 ASN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 61 MET CE :methyl -155:sc= 0 (180deg=-1.54) USER MOD Single : A 62 THR OG1 : rot 165:sc= 0.0265 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -44:sc= -0.101 USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00768 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.2!) USER MOD Single : A 93 MET CE :methyl -136:sc= -0.175 (180deg=-0.912) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 131:sc= 0.944 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -110:sc= -0.491 USER MOD Single : A 111 SER OG : rot 125:sc= 0.103 USER MOD Single : A 116 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.56) USER MOD Single : A 118 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.011) USER MOD Single : A 125 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 130 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.565 21.114 19.273 1.00 0.00 N ATOM 2 CA MET A 1 31.922 20.087 18.250 1.00 0.00 C ATOM 3 C MET A 1 31.431 18.684 18.684 1.00 0.00 C ATOM 4 O MET A 1 31.790 18.201 19.762 1.00 0.00 O ATOM 5 CB MET A 1 33.460 20.089 18.011 1.00 0.00 C ATOM 6 CG MET A 1 33.966 19.103 16.943 1.00 0.00 C ATOM 7 SD MET A 1 35.755 19.214 16.680 1.00 0.00 S ATOM 8 CE MET A 1 35.949 20.892 16.061 1.00 0.00 C ATOM 0 H1 MET A 1 31.904 22.047 18.961 1.00 0.00 H new ATOM 0 H2 MET A 1 30.532 21.142 19.391 1.00 0.00 H new ATOM 0 H3 MET A 1 32.010 20.869 20.181 1.00 0.00 H new ATOM 0 HA MET A 1 31.424 20.337 17.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.764 21.096 17.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.957 19.862 18.954 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.709 18.087 17.242 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.452 19.298 16.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 36.916 20.988 15.567 1.00 0.00 H new ATOM 0 HE2 MET A 1 35.154 21.111 15.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.895 21.595 16.892 1.00 0.00 H new ATOM 20 N GLY A 2 30.605 18.051 17.832 1.00 0.00 N ATOM 21 CA GLY A 2 30.090 16.697 18.072 1.00 0.00 C ATOM 22 C GLY A 2 29.586 16.047 16.778 1.00 0.00 C ATOM 23 O GLY A 2 28.660 16.569 16.151 1.00 0.00 O ATOM 0 H GLY A 2 30.278 18.466 16.959 1.00 0.00 H new ATOM 0 HA2 GLY A 2 30.876 16.080 18.507 1.00 0.00 H new ATOM 0 HA3 GLY A 2 29.279 16.739 18.799 1.00 0.00 H new ATOM 27 N GLN A 3 30.205 14.922 16.369 1.00 0.00 N ATOM 28 CA GLN A 3 29.849 14.216 15.115 1.00 0.00 C ATOM 29 C GLN A 3 28.480 13.484 15.224 1.00 0.00 C ATOM 30 O GLN A 3 28.270 12.672 16.135 1.00 0.00 O ATOM 31 CB GLN A 3 30.971 13.215 14.734 1.00 0.00 C ATOM 32 CG GLN A 3 32.342 13.877 14.471 1.00 0.00 C ATOM 33 CD GLN A 3 33.440 12.867 14.123 1.00 0.00 C ATOM 34 OE1 GLN A 3 33.652 12.537 12.966 1.00 0.00 O ATOM 35 NE2 GLN A 3 34.131 12.354 15.123 1.00 0.00 N ATOM 0 H GLN A 3 30.960 14.477 16.891 1.00 0.00 H new ATOM 0 HA GLN A 3 29.751 14.965 14.330 1.00 0.00 H new ATOM 0 HB2 GLN A 3 31.080 12.485 15.536 1.00 0.00 H new ATOM 0 HB3 GLN A 3 30.667 12.667 13.842 1.00 0.00 H new ATOM 0 HG2 GLN A 3 32.243 14.592 13.655 1.00 0.00 H new ATOM 0 HG3 GLN A 3 32.642 14.441 15.354 1.00 0.00 H new ATOM 0 HE21 GLN A 3 33.935 12.646 16.081 1.00 0.00 H new ATOM 0 HE22 GLN A 3 34.861 11.666 14.938 1.00 0.00 H new ATOM 44 N GLY A 4 27.559 13.815 14.296 1.00 0.00 N ATOM 45 CA GLY A 4 26.233 13.182 14.228 1.00 0.00 C ATOM 46 C GLY A 4 26.272 11.727 13.729 1.00 0.00 C ATOM 47 O GLY A 4 27.036 11.401 12.813 1.00 0.00 O ATOM 0 H GLY A 4 27.715 14.524 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.777 13.206 15.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.593 13.767 13.567 1.00 0.00 H new ATOM 51 N GLN A 5 25.422 10.866 14.323 1.00 0.00 N ATOM 52 CA GLN A 5 25.379 9.413 14.010 1.00 0.00 C ATOM 53 C GLN A 5 23.939 8.842 14.147 1.00 0.00 C ATOM 54 O GLN A 5 23.116 9.388 14.887 1.00 0.00 O ATOM 55 CB GLN A 5 26.381 8.657 14.932 1.00 0.00 C ATOM 56 CG GLN A 5 26.184 8.920 16.442 1.00 0.00 C ATOM 57 CD GLN A 5 27.233 8.244 17.338 1.00 0.00 C ATOM 58 OE1 GLN A 5 28.380 8.045 16.942 1.00 0.00 O ATOM 59 NE2 GLN A 5 26.850 7.895 18.551 1.00 0.00 N ATOM 0 H GLN A 5 24.746 11.151 15.032 1.00 0.00 H new ATOM 0 HA GLN A 5 25.675 9.268 12.971 1.00 0.00 H new ATOM 0 HB2 GLN A 5 26.289 7.587 14.747 1.00 0.00 H new ATOM 0 HB3 GLN A 5 27.396 8.942 14.656 1.00 0.00 H new ATOM 0 HG2 GLN A 5 26.209 9.995 16.619 1.00 0.00 H new ATOM 0 HG3 GLN A 5 25.193 8.572 16.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 25.892 8.072 18.854 1.00 0.00 H new ATOM 0 HE22 GLN A 5 27.512 7.448 19.186 1.00 0.00 H new ATOM 68 N ASN A 6 23.645 7.727 13.437 1.00 0.00 N ATOM 69 CA ASN A 6 22.256 7.187 13.307 1.00 0.00 C ATOM 70 C ASN A 6 22.098 5.773 13.918 1.00 0.00 C ATOM 71 O ASN A 6 23.059 5.162 14.388 1.00 0.00 O ATOM 72 CB ASN A 6 21.838 7.180 11.814 1.00 0.00 C ATOM 73 CG ASN A 6 21.835 8.580 11.207 1.00 0.00 C ATOM 74 OD1 ASN A 6 22.821 9.020 10.634 1.00 0.00 O ATOM 75 ND2 ASN A 6 20.741 9.296 11.350 1.00 0.00 N ATOM 0 H ASN A 6 24.348 7.178 12.942 1.00 0.00 H new ATOM 0 HA ASN A 6 21.598 7.844 13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 6 22.521 6.544 11.251 1.00 0.00 H new ATOM 0 HB3 ASN A 6 20.844 6.743 11.719 1.00 0.00 H new ATOM 0 HD21 ASN A 6 20.700 10.245 10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 6 19.933 8.902 11.833 1.00 0.00 H new ATOM 82 N VAL A 7 20.848 5.264 13.877 1.00 0.00 N ATOM 83 CA VAL A 7 20.438 3.973 14.503 1.00 0.00 C ATOM 84 C VAL A 7 20.614 2.794 13.524 1.00 0.00 C ATOM 85 O VAL A 7 20.592 1.625 13.921 1.00 0.00 O ATOM 86 CB VAL A 7 18.917 4.037 14.963 1.00 0.00 C ATOM 87 CG1 VAL A 7 18.609 5.401 15.606 1.00 0.00 C ATOM 88 CG2 VAL A 7 17.911 3.745 13.804 1.00 0.00 C ATOM 0 H VAL A 7 20.079 5.739 13.404 1.00 0.00 H new ATOM 0 HA VAL A 7 21.080 3.813 15.369 1.00 0.00 H new ATOM 0 HB VAL A 7 18.782 3.245 15.700 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.564 5.430 15.916 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.249 5.546 16.476 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.795 6.195 14.882 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.891 3.804 14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.046 4.481 13.011 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.093 2.746 13.407 1.00 0.00 H new ATOM 98 N LEU A 8 20.801 3.151 12.248 1.00 0.00 N ATOM 99 CA LEU A 8 20.606 2.262 11.096 1.00 0.00 C ATOM 100 C LEU A 8 21.566 1.049 11.102 1.00 0.00 C ATOM 101 O LEU A 8 21.119 -0.107 11.044 1.00 0.00 O ATOM 102 CB LEU A 8 20.781 3.101 9.810 1.00 0.00 C ATOM 103 CG LEU A 8 19.875 4.371 9.710 1.00 0.00 C ATOM 104 CD1 LEU A 8 20.303 5.252 8.529 1.00 0.00 C ATOM 105 CD2 LEU A 8 18.376 3.988 9.616 1.00 0.00 C ATOM 0 H LEU A 8 21.099 4.089 11.981 1.00 0.00 H new ATOM 0 HA LEU A 8 19.602 1.840 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.823 3.412 9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.579 2.463 8.950 1.00 0.00 H new ATOM 0 HG LEU A 8 20.005 4.950 10.624 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.659 6.130 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.337 5.568 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.217 4.685 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.773 4.893 9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.212 3.375 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.088 3.426 10.504 1.00 0.00 H new ATOM 117 N GLY A 9 22.884 1.329 11.178 1.00 0.00 N ATOM 118 CA GLY A 9 23.935 0.291 11.070 1.00 0.00 C ATOM 119 C GLY A 9 24.225 -0.091 9.612 1.00 0.00 C ATOM 120 O GLY A 9 25.377 -0.102 9.162 1.00 0.00 O ATOM 0 H GLY A 9 23.249 2.272 11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.850 0.653 11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.625 -0.597 11.622 1.00 0.00 H new ATOM 124 N GLN A 10 23.141 -0.413 8.891 1.00 0.00 N ATOM 125 CA GLN A 10 23.130 -0.652 7.452 1.00 0.00 C ATOM 126 C GLN A 10 21.722 -0.281 6.925 1.00 0.00 C ATOM 127 O GLN A 10 20.700 -0.809 7.391 1.00 0.00 O ATOM 128 CB GLN A 10 23.532 -2.125 7.107 1.00 0.00 C ATOM 129 CG GLN A 10 22.535 -3.253 7.506 1.00 0.00 C ATOM 130 CD GLN A 10 22.352 -3.446 9.021 1.00 0.00 C ATOM 131 OE1 GLN A 10 23.087 -4.194 9.659 1.00 0.00 O ATOM 132 NE2 GLN A 10 21.367 -2.781 9.606 1.00 0.00 N ATOM 0 H GLN A 10 22.219 -0.516 9.315 1.00 0.00 H new ATOM 0 HA GLN A 10 23.877 -0.030 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 10 23.696 -2.186 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 10 24.488 -2.335 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 10 21.564 -3.034 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.879 -4.192 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 10 20.769 -2.165 9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.206 -2.885 10.608 1.00 0.00 H new ATOM 141 N ASP A 11 21.667 0.685 6.014 1.00 0.00 N ATOM 142 CA ASP A 11 20.392 1.238 5.499 1.00 0.00 C ATOM 143 C ASP A 11 20.087 0.722 4.074 1.00 0.00 C ATOM 144 O ASP A 11 18.922 0.685 3.650 1.00 0.00 O ATOM 145 CB ASP A 11 20.458 2.783 5.567 1.00 0.00 C ATOM 146 CG ASP A 11 21.608 3.375 4.730 1.00 0.00 C ATOM 147 OD1 ASP A 11 22.774 3.308 5.182 1.00 0.00 O ATOM 148 OD2 ASP A 11 21.357 3.882 3.615 1.00 0.00 O ATOM 0 H ASP A 11 22.496 1.115 5.604 1.00 0.00 H new ATOM 0 HA ASP A 11 19.565 0.896 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.512 3.197 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 11 20.577 3.090 6.606 1.00 0.00 H new ATOM 153 N LEU A 12 21.148 0.330 3.344 1.00 0.00 N ATOM 154 CA LEU A 12 21.031 -0.301 2.016 1.00 0.00 C ATOM 155 C LEU A 12 20.433 -1.725 2.159 1.00 0.00 C ATOM 156 O LEU A 12 21.144 -2.665 2.531 1.00 0.00 O ATOM 157 CB LEU A 12 22.422 -0.379 1.288 1.00 0.00 C ATOM 158 CG LEU A 12 23.085 0.966 0.823 1.00 0.00 C ATOM 159 CD1 LEU A 12 22.136 1.776 -0.077 1.00 0.00 C ATOM 160 CD2 LEU A 12 23.601 1.804 2.008 1.00 0.00 C ATOM 0 H LEU A 12 22.112 0.442 3.659 1.00 0.00 H new ATOM 0 HA LEU A 12 20.369 0.317 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.121 -0.883 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.305 -1.015 0.410 1.00 0.00 H new ATOM 0 HG LEU A 12 23.958 0.701 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 12 22.625 2.701 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.885 1.190 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.225 2.011 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.051 2.724 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 12 22.770 2.049 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.348 1.233 2.560 1.00 0.00 H new ATOM 172 N GLU A 13 19.113 -1.859 1.923 1.00 0.00 N ATOM 173 CA GLU A 13 18.438 -3.175 1.866 1.00 0.00 C ATOM 174 C GLU A 13 18.767 -3.908 0.539 1.00 0.00 C ATOM 175 O GLU A 13 19.347 -3.323 -0.383 1.00 0.00 O ATOM 176 CB GLU A 13 16.905 -3.009 2.046 1.00 0.00 C ATOM 177 CG GLU A 13 16.485 -2.406 3.411 1.00 0.00 C ATOM 178 CD GLU A 13 14.968 -2.494 3.680 1.00 0.00 C ATOM 179 OE1 GLU A 13 14.211 -1.613 3.209 1.00 0.00 O ATOM 180 OE2 GLU A 13 14.529 -3.448 4.364 1.00 0.00 O ATOM 0 H GLU A 13 18.488 -1.068 1.768 1.00 0.00 H new ATOM 0 HA GLU A 13 18.812 -3.788 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.524 -2.372 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.430 -3.983 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.018 -2.924 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.793 -1.361 3.448 1.00 0.00 H new ATOM 187 N VAL A 14 18.387 -5.194 0.446 1.00 0.00 N ATOM 188 CA VAL A 14 18.757 -6.048 -0.704 1.00 0.00 C ATOM 189 C VAL A 14 17.613 -7.033 -1.078 1.00 0.00 C ATOM 190 O VAL A 14 17.054 -7.719 -0.209 1.00 0.00 O ATOM 191 CB VAL A 14 20.118 -6.806 -0.401 1.00 0.00 C ATOM 192 CG1 VAL A 14 20.013 -7.740 0.836 1.00 0.00 C ATOM 193 CG2 VAL A 14 20.643 -7.564 -1.645 1.00 0.00 C ATOM 0 H VAL A 14 17.824 -5.668 1.152 1.00 0.00 H new ATOM 0 HA VAL A 14 18.910 -5.410 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 14 20.851 -6.039 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.970 -8.235 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.753 -7.151 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.242 -8.490 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 14 21.576 -8.070 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.904 -8.301 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.819 -6.856 -2.455 1.00 0.00 H new ATOM 203 N CYS A 15 17.265 -7.083 -2.385 1.00 0.00 N ATOM 204 CA CYS A 15 16.240 -8.018 -2.929 1.00 0.00 C ATOM 205 C CYS A 15 16.719 -9.493 -2.912 1.00 0.00 C ATOM 206 O CYS A 15 15.914 -10.408 -3.077 1.00 0.00 O ATOM 207 CB CYS A 15 15.833 -7.612 -4.367 1.00 0.00 C ATOM 208 SG CYS A 15 14.917 -6.061 -4.472 1.00 0.00 S ATOM 0 H CYS A 15 17.683 -6.480 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 15 15.371 -7.945 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 15 16.733 -7.531 -4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 15 15.226 -8.408 -4.798 1.00 0.00 H new ATOM 0 HG CYS A 15 14.627 -5.812 -5.714 1.00 0.00 H new ATOM 214 N CYS A 16 18.041 -9.704 -2.737 1.00 0.00 N ATOM 215 CA CYS A 16 18.628 -11.062 -2.581 1.00 0.00 C ATOM 216 C CYS A 16 18.280 -11.693 -1.209 1.00 0.00 C ATOM 217 O CYS A 16 18.019 -12.902 -1.126 1.00 0.00 O ATOM 218 CB CYS A 16 20.168 -11.024 -2.752 1.00 0.00 C ATOM 219 SG CYS A 16 20.720 -10.308 -4.315 1.00 0.00 S ATOM 0 H CYS A 16 18.728 -8.951 -2.699 1.00 0.00 H new ATOM 0 HA CYS A 16 18.191 -11.681 -3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.600 -10.452 -1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 16 20.557 -12.039 -2.673 1.00 0.00 H new ATOM 0 HG CYS A 16 21.778 -10.938 -4.731 1.00 0.00 H new ATOM 225 N CYS A 17 18.284 -10.841 -0.150 1.00 0.00 N ATOM 226 CA CYS A 17 18.097 -11.233 1.277 1.00 0.00 C ATOM 227 C CYS A 17 19.276 -12.089 1.811 1.00 0.00 C ATOM 228 O CYS A 17 20.089 -11.616 2.614 1.00 0.00 O ATOM 229 CB CYS A 17 16.743 -11.942 1.527 1.00 0.00 C ATOM 230 SG CYS A 17 16.470 -12.433 3.248 1.00 0.00 S ATOM 0 H CYS A 17 18.421 -9.837 -0.266 1.00 0.00 H new ATOM 0 HA CYS A 17 18.083 -10.300 1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 17 15.935 -11.278 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 17 16.687 -12.828 0.895 1.00 0.00 H new ATOM 0 HG CYS A 17 15.312 -13.014 3.355 1.00 0.00 H new ATOM 236 N ALA A 18 19.371 -13.349 1.337 1.00 0.00 N ATOM 237 CA ALA A 18 20.437 -14.308 1.738 1.00 0.00 C ATOM 238 C ALA A 18 20.910 -15.222 0.550 1.00 0.00 C ATOM 239 O ALA A 18 22.121 -15.352 0.346 1.00 0.00 O ATOM 240 CB ALA A 18 19.996 -15.144 2.961 1.00 0.00 C ATOM 0 H ALA A 18 18.711 -13.737 0.663 1.00 0.00 H new ATOM 0 HA ALA A 18 21.305 -13.715 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 18 20.792 -15.837 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.789 -14.480 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.096 -15.706 2.712 1.00 0.00 H new ATOM 246 N PRO A 19 19.991 -15.901 -0.257 1.00 0.00 N ATOM 247 CA PRO A 19 20.423 -16.678 -1.465 1.00 0.00 C ATOM 248 C PRO A 19 20.969 -15.785 -2.628 1.00 0.00 C ATOM 249 O PRO A 19 20.683 -14.582 -2.710 1.00 0.00 O ATOM 250 CB PRO A 19 19.135 -17.452 -1.863 1.00 0.00 C ATOM 251 CG PRO A 19 18.017 -16.598 -1.357 1.00 0.00 C ATOM 252 CD PRO A 19 18.518 -16.025 -0.051 1.00 0.00 C ATOM 0 HA PRO A 19 21.270 -17.330 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.072 -17.590 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.112 -18.444 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 19 17.773 -15.807 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 19 17.110 -17.184 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 19 18.061 -15.059 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 19 18.285 -16.680 0.788 1.00 0.00 H new ATOM 260 N MET A 20 21.733 -16.419 -3.536 1.00 0.00 N ATOM 261 CA MET A 20 22.564 -15.729 -4.558 1.00 0.00 C ATOM 262 C MET A 20 21.820 -15.564 -5.920 1.00 0.00 C ATOM 263 O MET A 20 22.303 -15.989 -6.981 1.00 0.00 O ATOM 264 CB MET A 20 23.922 -16.490 -4.723 1.00 0.00 C ATOM 265 CG MET A 20 23.806 -17.995 -5.076 1.00 0.00 C ATOM 266 SD MET A 20 23.107 -18.998 -3.743 1.00 0.00 S ATOM 267 CE MET A 20 23.030 -20.633 -4.486 1.00 0.00 C ATOM 0 H MET A 20 21.796 -17.436 -3.587 1.00 0.00 H new ATOM 0 HA MET A 20 22.766 -14.716 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 20 24.503 -15.996 -5.502 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.487 -16.395 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 20 23.186 -18.104 -5.966 1.00 0.00 H new ATOM 0 HG3 MET A 20 24.795 -18.378 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.617 -21.340 -3.767 1.00 0.00 H new ATOM 0 HE2 MET A 20 22.393 -20.601 -5.370 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.033 -20.950 -4.772 1.00 0.00 H new ATOM 277 N THR A 21 20.649 -14.897 -5.872 1.00 0.00 N ATOM 278 CA THR A 21 19.804 -14.625 -7.075 1.00 0.00 C ATOM 279 C THR A 21 20.453 -13.588 -8.039 1.00 0.00 C ATOM 280 O THR A 21 20.109 -13.539 -9.229 1.00 0.00 O ATOM 281 CB THR A 21 18.365 -14.137 -6.673 1.00 0.00 C ATOM 282 OG1 THR A 21 17.555 -13.894 -7.846 1.00 0.00 O ATOM 283 CG2 THR A 21 18.404 -12.866 -5.804 1.00 0.00 C ATOM 0 H THR A 21 20.255 -14.529 -5.006 1.00 0.00 H new ATOM 0 HA THR A 21 19.725 -15.575 -7.603 1.00 0.00 H new ATOM 0 HB THR A 21 17.919 -14.938 -6.083 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.661 -12.962 -8.130 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.387 -12.567 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 21 18.961 -13.068 -4.889 1.00 0.00 H new ATOM 0 HG23 THR A 21 18.892 -12.063 -6.356 1.00 0.00 H new ATOM 291 N GLY A 22 21.378 -12.760 -7.513 1.00 0.00 N ATOM 292 CA GLY A 22 22.110 -11.776 -8.330 1.00 0.00 C ATOM 293 C GLY A 22 22.931 -10.792 -7.503 1.00 0.00 C ATOM 294 O GLY A 22 22.977 -10.882 -6.274 1.00 0.00 O ATOM 0 H GLY A 22 21.635 -12.755 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 22 22.773 -12.305 -9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.398 -11.220 -8.941 1.00 0.00 H new ATOM 298 N TRP A 23 23.608 -9.858 -8.195 1.00 0.00 N ATOM 299 CA TRP A 23 24.379 -8.763 -7.554 1.00 0.00 C ATOM 300 C TRP A 23 23.496 -7.495 -7.439 1.00 0.00 C ATOM 301 O TRP A 23 23.356 -6.909 -6.354 1.00 0.00 O ATOM 302 CB TRP A 23 25.657 -8.449 -8.386 1.00 0.00 C ATOM 303 CG TRP A 23 26.640 -9.602 -8.506 1.00 0.00 C ATOM 304 CD1 TRP A 23 26.555 -10.688 -9.343 1.00 0.00 C ATOM 305 CD2 TRP A 23 27.862 -9.767 -7.768 1.00 0.00 C ATOM 306 NE1 TRP A 23 27.644 -11.506 -9.166 1.00 0.00 N ATOM 307 CE2 TRP A 23 28.457 -10.965 -8.204 1.00 0.00 C ATOM 308 CE3 TRP A 23 28.508 -9.016 -6.775 1.00 0.00 C ATOM 309 CZ2 TRP A 23 29.667 -11.425 -7.690 1.00 0.00 C ATOM 310 CZ3 TRP A 23 29.711 -9.475 -6.265 1.00 0.00 C ATOM 311 CH2 TRP A 23 30.277 -10.672 -6.722 1.00 0.00 C ATOM 0 H TRP A 23 23.640 -9.836 -9.214 1.00 0.00 H new ATOM 0 HA TRP A 23 24.680 -9.079 -6.555 1.00 0.00 H new ATOM 0 HB2 TRP A 23 25.355 -8.142 -9.387 1.00 0.00 H new ATOM 0 HB3 TRP A 23 26.169 -7.600 -7.933 1.00 0.00 H new ATOM 0 HD1 TRP A 23 25.750 -10.872 -10.039 1.00 0.00 H new ATOM 0 HE1 TRP A 23 27.819 -12.376 -9.669 1.00 0.00 H new ATOM 0 HE3 TRP A 23 28.074 -8.095 -6.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 30.110 -12.345 -8.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 30.220 -8.902 -5.504 1.00 0.00 H new ATOM 0 HH2 TRP A 23 31.214 -11.008 -6.302 1.00 0.00 H new ATOM 322 N TYR A 24 22.935 -7.077 -8.608 1.00 0.00 N ATOM 323 CA TYR A 24 22.037 -5.893 -8.774 1.00 0.00 C ATOM 324 C TYR A 24 22.751 -4.532 -8.542 1.00 0.00 C ATOM 325 O TYR A 24 22.122 -3.486 -8.715 1.00 0.00 O ATOM 326 CB TYR A 24 20.757 -6.003 -7.881 1.00 0.00 C ATOM 327 CG TYR A 24 19.987 -7.323 -8.067 1.00 0.00 C ATOM 328 CD1 TYR A 24 19.356 -7.622 -9.275 1.00 0.00 C ATOM 329 CD2 TYR A 24 19.918 -8.277 -7.046 1.00 0.00 C ATOM 330 CE1 TYR A 24 18.692 -8.817 -9.459 1.00 0.00 C ATOM 331 CE2 TYR A 24 19.245 -9.472 -7.228 1.00 0.00 C ATOM 332 CZ TYR A 24 18.635 -9.739 -8.437 1.00 0.00 C ATOM 333 OH TYR A 24 17.984 -10.942 -8.630 1.00 0.00 O ATOM 0 H TYR A 24 23.098 -7.567 -9.487 1.00 0.00 H new ATOM 0 HA TYR A 24 21.732 -5.910 -9.820 1.00 0.00 H new ATOM 0 HB2 TYR A 24 21.045 -5.904 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 24 20.093 -5.169 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.388 -6.904 -10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 24 20.398 -8.077 -6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.216 -9.030 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 24 19.197 -10.194 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 24 18.044 -11.199 -9.574 1.00 0.00 H new ATOM 343 N ARG A 25 24.061 -4.574 -8.186 1.00 0.00 N ATOM 344 CA ARG A 25 24.892 -3.397 -7.792 1.00 0.00 C ATOM 345 C ARG A 25 24.325 -2.668 -6.536 1.00 0.00 C ATOM 346 O ARG A 25 24.923 -2.714 -5.456 1.00 0.00 O ATOM 347 CB ARG A 25 25.089 -2.400 -8.980 1.00 0.00 C ATOM 348 CG ARG A 25 26.126 -1.274 -8.720 1.00 0.00 C ATOM 349 CD ARG A 25 27.566 -1.810 -8.585 1.00 0.00 C ATOM 350 NE ARG A 25 28.050 -2.425 -9.838 1.00 0.00 N ATOM 351 CZ ARG A 25 28.837 -3.477 -9.930 1.00 0.00 C ATOM 352 NH1 ARG A 25 29.215 -4.142 -8.877 1.00 0.00 N ATOM 353 NH2 ARG A 25 29.229 -3.883 -11.091 1.00 0.00 N ATOM 0 H ARG A 25 24.586 -5.448 -8.163 1.00 0.00 H new ATOM 0 HA ARG A 25 25.873 -3.789 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 25 25.398 -2.963 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 25 24.128 -1.942 -9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 25 26.086 -0.553 -9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 25 25.855 -0.739 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 25 28.231 -0.994 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 25 27.605 -2.546 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 25 27.747 -1.995 -10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 25 28.901 -3.852 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 25 29.825 -4.953 -8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 25 28.929 -3.390 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 25 29.839 -4.697 -11.168 1.00 0.00 H new ATOM 367 N ASN A 26 23.171 -1.992 -6.710 1.00 0.00 N ATOM 368 CA ASN A 26 22.413 -1.321 -5.619 1.00 0.00 C ATOM 369 C ASN A 26 21.936 -2.327 -4.539 1.00 0.00 C ATOM 370 O ASN A 26 21.749 -1.966 -3.370 1.00 0.00 O ATOM 371 CB ASN A 26 21.171 -0.605 -6.218 1.00 0.00 C ATOM 372 CG ASN A 26 21.495 0.208 -7.472 1.00 0.00 C ATOM 373 OD1 ASN A 26 21.419 -0.295 -8.591 1.00 0.00 O ATOM 374 ND2 ASN A 26 21.875 1.456 -7.304 1.00 0.00 N ATOM 0 H ASN A 26 22.728 -1.892 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 26 23.084 -0.604 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 26 20.412 -1.349 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 26 20.741 0.055 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 26 22.115 2.029 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 26 21.930 1.850 -6.365 1.00 0.00 H new ATOM 381 N GLY A 27 21.722 -3.583 -4.969 1.00 0.00 N ATOM 382 CA GLY A 27 21.198 -4.644 -4.107 1.00 0.00 C ATOM 383 C GLY A 27 19.704 -4.887 -4.330 1.00 0.00 C ATOM 384 O GLY A 27 19.247 -6.034 -4.365 1.00 0.00 O ATOM 0 H GLY A 27 21.909 -3.886 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 27 21.746 -5.567 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.369 -4.379 -3.064 1.00 0.00 H new ATOM 388 N PHE A 28 18.940 -3.791 -4.494 1.00 0.00 N ATOM 389 CA PHE A 28 17.474 -3.838 -4.677 1.00 0.00 C ATOM 390 C PHE A 28 17.036 -3.056 -5.952 1.00 0.00 C ATOM 391 O PHE A 28 16.908 -1.826 -5.953 1.00 0.00 O ATOM 392 CB PHE A 28 16.751 -3.350 -3.376 1.00 0.00 C ATOM 393 CG PHE A 28 16.990 -1.884 -2.972 1.00 0.00 C ATOM 394 CD1 PHE A 28 18.248 -1.445 -2.554 1.00 0.00 C ATOM 395 CD2 PHE A 28 15.952 -0.946 -3.016 1.00 0.00 C ATOM 396 CE1 PHE A 28 18.462 -0.126 -2.197 1.00 0.00 C ATOM 397 CE2 PHE A 28 16.167 0.372 -2.657 1.00 0.00 C ATOM 398 CZ PHE A 28 17.423 0.782 -2.248 1.00 0.00 C ATOM 0 H PHE A 28 19.321 -2.845 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 28 17.169 -4.871 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 28 15.679 -3.499 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 28 17.065 -3.988 -2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.067 -2.147 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 28 14.968 -1.256 -3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 28 19.443 0.194 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 28 15.354 1.082 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.591 1.812 -1.969 1.00 0.00 H new ATOM 408 N CYS A 29 16.856 -3.810 -7.053 1.00 0.00 N ATOM 409 CA CYS A 29 16.403 -3.289 -8.372 1.00 0.00 C ATOM 410 C CYS A 29 16.123 -4.454 -9.351 1.00 0.00 C ATOM 411 O CYS A 29 16.293 -5.627 -8.988 1.00 0.00 O ATOM 412 CB CYS A 29 17.441 -2.309 -8.986 1.00 0.00 C ATOM 413 SG CYS A 29 19.119 -2.965 -9.066 1.00 0.00 S ATOM 0 H CYS A 29 17.022 -4.816 -7.059 1.00 0.00 H new ATOM 0 HA CYS A 29 15.478 -2.737 -8.206 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.119 -2.040 -9.992 1.00 0.00 H new ATOM 0 HB3 CYS A 29 17.449 -1.391 -8.398 1.00 0.00 H new ATOM 0 HG CYS A 29 19.971 -2.002 -8.874 1.00 0.00 H new ATOM 419 N GLN A 30 15.701 -4.101 -10.597 1.00 0.00 N ATOM 420 CA GLN A 30 15.342 -5.070 -11.667 1.00 0.00 C ATOM 421 C GLN A 30 14.114 -5.929 -11.271 1.00 0.00 C ATOM 422 O GLN A 30 14.249 -7.030 -10.731 1.00 0.00 O ATOM 423 CB GLN A 30 16.552 -5.965 -12.083 1.00 0.00 C ATOM 424 CG GLN A 30 17.724 -5.204 -12.737 1.00 0.00 C ATOM 425 CD GLN A 30 18.912 -6.113 -13.068 1.00 0.00 C ATOM 426 OE1 GLN A 30 19.853 -6.232 -12.153 1.00 0.00 O flip ATOM 427 NE2 GLN A 30 18.980 -6.699 -14.139 1.00 0.00 N flip ATOM 0 H GLN A 30 15.600 -3.128 -10.887 1.00 0.00 H new ATOM 0 HA GLN A 30 15.065 -4.482 -12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.922 -6.485 -11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.200 -6.728 -12.777 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.374 -4.724 -13.651 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.055 -4.411 -12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.237 -6.588 -14.829 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.780 -7.298 -14.342 1.00 0.00 H new ATOM 436 N THR A 31 12.909 -5.373 -11.485 1.00 0.00 N ATOM 437 CA THR A 31 11.637 -6.130 -11.324 1.00 0.00 C ATOM 438 C THR A 31 11.351 -7.065 -12.521 1.00 0.00 C ATOM 439 O THR A 31 10.477 -7.934 -12.429 1.00 0.00 O ATOM 440 CB THR A 31 10.417 -5.179 -11.121 1.00 0.00 C ATOM 441 OG1 THR A 31 9.246 -5.949 -10.824 1.00 0.00 O ATOM 442 CG2 THR A 31 10.158 -4.275 -12.347 1.00 0.00 C ATOM 0 H THR A 31 12.780 -4.402 -11.770 1.00 0.00 H new ATOM 0 HA THR A 31 11.771 -6.739 -10.430 1.00 0.00 H new ATOM 0 HB THR A 31 10.654 -4.522 -10.284 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.293 -6.810 -11.290 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.298 -3.634 -12.151 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.036 -3.657 -12.535 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.957 -4.895 -13.220 1.00 0.00 H new ATOM 450 N ASP A 32 12.102 -6.863 -13.625 1.00 0.00 N ATOM 451 CA ASP A 32 11.963 -7.608 -14.901 1.00 0.00 C ATOM 452 C ASP A 32 10.561 -7.438 -15.535 1.00 0.00 C ATOM 453 O ASP A 32 10.370 -6.518 -16.326 1.00 0.00 O ATOM 454 CB ASP A 32 12.314 -9.112 -14.746 1.00 0.00 C ATOM 455 CG ASP A 32 13.690 -9.351 -14.104 1.00 0.00 C ATOM 456 OD1 ASP A 32 14.720 -9.104 -14.767 1.00 0.00 O ATOM 457 OD2 ASP A 32 13.744 -9.801 -12.943 1.00 0.00 O ATOM 0 H ASP A 32 12.841 -6.161 -13.657 1.00 0.00 H new ATOM 0 HA ASP A 32 12.689 -7.165 -15.583 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.549 -9.596 -14.140 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.291 -9.587 -15.727 1.00 0.00 H new ATOM 462 N VAL A 33 9.599 -8.305 -15.096 1.00 0.00 N ATOM 463 CA VAL A 33 8.216 -8.476 -15.650 1.00 0.00 C ATOM 464 C VAL A 33 8.120 -8.521 -17.220 1.00 0.00 C ATOM 465 O VAL A 33 7.809 -9.569 -17.801 1.00 0.00 O ATOM 466 CB VAL A 33 7.137 -7.493 -14.999 1.00 0.00 C ATOM 467 CG1 VAL A 33 7.435 -5.983 -15.210 1.00 0.00 C ATOM 468 CG2 VAL A 33 5.703 -7.851 -15.477 1.00 0.00 C ATOM 0 H VAL A 33 9.773 -8.933 -14.311 1.00 0.00 H new ATOM 0 HA VAL A 33 7.948 -9.484 -15.332 1.00 0.00 H new ATOM 0 HB VAL A 33 7.208 -7.653 -13.923 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.654 -5.388 -14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.399 -5.737 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.462 -5.763 -16.277 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.986 -7.168 -15.021 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.648 -7.762 -16.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.467 -8.874 -15.184 1.00 0.00 H new ATOM 478 N GLN A 34 8.401 -7.382 -17.869 1.00 0.00 N ATOM 479 CA GLN A 34 8.303 -7.174 -19.335 1.00 0.00 C ATOM 480 C GLN A 34 8.853 -5.770 -19.680 1.00 0.00 C ATOM 481 O GLN A 34 9.415 -5.548 -20.758 1.00 0.00 O ATOM 482 CB GLN A 34 6.828 -7.294 -19.844 1.00 0.00 C ATOM 483 CG GLN A 34 5.842 -6.319 -19.156 1.00 0.00 C ATOM 484 CD GLN A 34 4.479 -6.197 -19.830 1.00 0.00 C ATOM 485 OE1 GLN A 34 3.973 -7.134 -20.440 1.00 0.00 O ATOM 486 NE2 GLN A 34 3.882 -5.027 -19.723 1.00 0.00 N ATOM 0 H GLN A 34 8.715 -6.546 -17.377 1.00 0.00 H new ATOM 0 HA GLN A 34 8.888 -7.950 -19.829 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.810 -7.114 -20.919 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.482 -8.316 -19.686 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.693 -6.643 -18.126 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.300 -5.331 -19.116 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.332 -4.270 -19.208 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.970 -4.878 -20.155 1.00 0.00 H new ATOM 495 N ASP A 35 8.666 -4.826 -18.732 1.00 0.00 N ATOM 496 CA ASP A 35 9.008 -3.406 -18.900 1.00 0.00 C ATOM 497 C ASP A 35 10.510 -3.136 -18.612 1.00 0.00 C ATOM 498 O ASP A 35 11.075 -3.660 -17.645 1.00 0.00 O ATOM 499 CB ASP A 35 8.125 -2.546 -17.951 1.00 0.00 C ATOM 500 CG ASP A 35 6.613 -2.782 -18.156 1.00 0.00 C ATOM 501 OD1 ASP A 35 6.047 -2.279 -19.154 1.00 0.00 O ATOM 502 OD2 ASP A 35 5.985 -3.491 -17.336 1.00 0.00 O ATOM 0 H ASP A 35 8.267 -5.037 -17.817 1.00 0.00 H new ATOM 0 HA ASP A 35 8.818 -3.133 -19.938 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.386 -2.772 -16.917 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.348 -1.491 -18.113 1.00 0.00 H new ATOM 507 N ARG A 36 11.140 -2.315 -19.476 1.00 0.00 N ATOM 508 CA ARG A 36 12.518 -1.808 -19.273 1.00 0.00 C ATOM 509 C ARG A 36 12.561 -0.791 -18.106 1.00 0.00 C ATOM 510 O ARG A 36 13.559 -0.696 -17.379 1.00 0.00 O ATOM 511 CB ARG A 36 13.036 -1.149 -20.582 1.00 0.00 C ATOM 512 CG ARG A 36 13.150 -2.114 -21.789 1.00 0.00 C ATOM 513 CD ARG A 36 14.208 -3.216 -21.577 1.00 0.00 C ATOM 514 NE ARG A 36 15.554 -2.649 -21.385 1.00 0.00 N ATOM 515 CZ ARG A 36 16.480 -3.119 -20.579 1.00 0.00 C ATOM 516 NH1 ARG A 36 16.272 -4.163 -19.828 1.00 0.00 N ATOM 517 NH2 ARG A 36 17.611 -2.514 -20.510 1.00 0.00 N ATOM 0 H ARG A 36 10.708 -1.982 -20.338 1.00 0.00 H new ATOM 0 HA ARG A 36 13.164 -2.648 -19.017 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.368 -0.330 -20.850 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.016 -0.711 -20.390 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.180 -2.578 -21.970 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.402 -1.543 -22.682 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.939 -3.817 -20.708 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.214 -3.885 -22.438 1.00 0.00 H new ATOM 0 HE ARG A 36 15.789 -1.817 -21.926 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.371 -4.639 -19.855 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.011 -4.504 -19.213 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.780 -1.682 -21.076 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.340 -2.865 -19.890 1.00 0.00 H new ATOM 531 N GLY A 37 11.461 -0.033 -17.949 1.00 0.00 N ATOM 532 CA GLY A 37 11.319 0.925 -16.851 1.00 0.00 C ATOM 533 C GLY A 37 10.921 0.258 -15.525 1.00 0.00 C ATOM 534 O GLY A 37 9.736 -0.027 -15.292 1.00 0.00 O ATOM 0 H GLY A 37 10.657 -0.070 -18.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.260 1.458 -16.716 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.568 1.668 -17.118 1.00 0.00 H new ATOM 538 N SER A 38 11.918 0.004 -14.652 1.00 0.00 N ATOM 539 CA SER A 38 11.696 -0.605 -13.311 1.00 0.00 C ATOM 540 C SER A 38 11.297 0.471 -12.259 1.00 0.00 C ATOM 541 O SER A 38 11.984 0.677 -11.250 1.00 0.00 O ATOM 542 CB SER A 38 12.956 -1.405 -12.863 1.00 0.00 C ATOM 543 OG SER A 38 12.756 -2.053 -11.606 1.00 0.00 O ATOM 0 H SER A 38 12.897 0.212 -14.849 1.00 0.00 H new ATOM 0 HA SER A 38 10.862 -1.303 -13.386 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.202 -2.150 -13.620 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.809 -0.730 -12.792 1.00 0.00 H new ATOM 0 HG SER A 38 12.552 -1.382 -10.921 1.00 0.00 H new ATOM 549 N HIS A 39 10.183 1.187 -12.540 1.00 0.00 N ATOM 550 CA HIS A 39 9.518 2.126 -11.591 1.00 0.00 C ATOM 551 C HIS A 39 7.983 1.850 -11.567 1.00 0.00 C ATOM 552 O HIS A 39 7.169 2.747 -11.315 1.00 0.00 O ATOM 553 CB HIS A 39 9.829 3.604 -11.955 1.00 0.00 C ATOM 554 CG HIS A 39 11.285 3.986 -11.816 1.00 0.00 C ATOM 555 ND1 HIS A 39 11.828 4.472 -10.640 1.00 0.00 N ATOM 556 CD2 HIS A 39 12.319 3.920 -12.695 1.00 0.00 C ATOM 557 CE1 HIS A 39 13.116 4.697 -10.808 1.00 0.00 C ATOM 558 NE2 HIS A 39 13.441 4.367 -12.038 1.00 0.00 N ATOM 0 H HIS A 39 9.711 1.132 -13.442 1.00 0.00 H new ATOM 0 HA HIS A 39 9.914 1.956 -10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.514 3.787 -12.982 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.232 4.256 -11.318 1.00 0.00 H new ATOM 0 HD1 HIS A 39 11.311 4.632 -9.775 1.00 0.00 H new ATOM 0 HD2 HIS A 39 12.269 3.580 -13.719 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.791 5.087 -10.060 1.00 0.00 H new ATOM 567 N THR A 40 7.618 0.566 -11.791 1.00 0.00 N ATOM 568 CA THR A 40 6.204 0.088 -11.845 1.00 0.00 C ATOM 569 C THR A 40 5.745 -0.521 -10.491 1.00 0.00 C ATOM 570 O THR A 40 6.465 -1.323 -9.887 1.00 0.00 O ATOM 571 CB THR A 40 6.005 -0.969 -12.996 1.00 0.00 C ATOM 572 OG1 THR A 40 4.679 -1.530 -12.951 1.00 0.00 O ATOM 573 CG2 THR A 40 7.047 -2.104 -12.957 1.00 0.00 C ATOM 0 H THR A 40 8.298 -0.179 -11.941 1.00 0.00 H new ATOM 0 HA THR A 40 5.586 0.962 -12.053 1.00 0.00 H new ATOM 0 HB THR A 40 6.145 -0.428 -13.932 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.613 -2.155 -12.199 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.858 -2.800 -13.774 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.047 -1.684 -13.063 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.974 -2.632 -12.006 1.00 0.00 H new ATOM 581 N VAL A 41 4.545 -0.119 -10.007 1.00 0.00 N ATOM 582 CA VAL A 41 3.957 -0.626 -8.733 1.00 0.00 C ATOM 583 C VAL A 41 2.426 -0.867 -8.893 1.00 0.00 C ATOM 584 O VAL A 41 1.661 0.087 -9.022 1.00 0.00 O ATOM 585 CB VAL A 41 4.181 0.372 -7.521 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.651 -0.238 -6.191 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.667 0.815 -7.384 1.00 0.00 C ATOM 0 H VAL A 41 3.955 0.563 -10.483 1.00 0.00 H new ATOM 0 HA VAL A 41 4.471 -1.562 -8.512 1.00 0.00 H new ATOM 0 HB VAL A 41 3.604 1.271 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.817 0.467 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.584 -0.441 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.180 -1.167 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.767 1.497 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.294 -0.061 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.982 1.319 -8.298 1.00 0.00 H new ATOM 597 N CYS A 42 1.987 -2.138 -8.884 1.00 0.00 N ATOM 598 CA CYS A 42 0.545 -2.498 -8.856 1.00 0.00 C ATOM 599 C CYS A 42 0.184 -3.063 -7.468 1.00 0.00 C ATOM 600 O CYS A 42 0.509 -4.203 -7.155 1.00 0.00 O ATOM 601 CB CYS A 42 0.235 -3.545 -9.958 1.00 0.00 C ATOM 602 SG CYS A 42 0.673 -3.009 -11.625 1.00 0.00 S ATOM 0 H CYS A 42 2.611 -2.945 -8.896 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.053 -1.607 -9.047 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.772 -4.466 -9.731 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.829 -3.781 -9.931 1.00 0.00 H new ATOM 0 HG CYS A 42 1.692 -3.697 -12.048 1.00 0.00 H new ATOM 608 N ALA A 43 -0.543 -2.281 -6.658 1.00 0.00 N ATOM 609 CA ALA A 43 -0.768 -2.576 -5.226 1.00 0.00 C ATOM 610 C ALA A 43 -2.193 -2.188 -4.849 1.00 0.00 C ATOM 611 O ALA A 43 -2.772 -1.288 -5.465 1.00 0.00 O ATOM 612 CB ALA A 43 0.253 -1.815 -4.354 1.00 0.00 C ATOM 0 H ALA A 43 -0.995 -1.423 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.631 -3.643 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.075 -2.042 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.263 -2.122 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.143 -0.743 -4.517 1.00 0.00 H new ATOM 618 N GLU A 44 -2.779 -2.864 -3.856 1.00 0.00 N ATOM 619 CA GLU A 44 -4.162 -2.587 -3.448 1.00 0.00 C ATOM 620 C GLU A 44 -4.226 -1.965 -2.039 1.00 0.00 C ATOM 621 O GLU A 44 -3.833 -2.592 -1.053 1.00 0.00 O ATOM 622 CB GLU A 44 -5.023 -3.868 -3.518 1.00 0.00 C ATOM 623 CG GLU A 44 -6.520 -3.561 -3.508 1.00 0.00 C ATOM 624 CD GLU A 44 -7.426 -4.806 -3.586 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.143 -5.808 -2.890 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.425 -4.783 -4.334 1.00 0.00 O ATOM 0 H GLU A 44 -2.322 -3.603 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.569 -1.858 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.774 -4.422 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.781 -4.513 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.759 -3.009 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.750 -2.906 -4.348 1.00 0.00 H new ATOM 633 N MET A 45 -4.703 -0.714 -1.969 1.00 0.00 N ATOM 634 CA MET A 45 -5.024 -0.041 -0.700 1.00 0.00 C ATOM 635 C MET A 45 -6.523 -0.218 -0.408 1.00 0.00 C ATOM 636 O MET A 45 -7.361 0.306 -1.141 1.00 0.00 O ATOM 637 CB MET A 45 -4.663 1.464 -0.776 1.00 0.00 C ATOM 638 CG MET A 45 -3.234 1.726 -1.269 1.00 0.00 C ATOM 639 SD MET A 45 -1.976 1.038 -0.174 1.00 0.00 S ATOM 640 CE MET A 45 -2.354 1.871 1.363 1.00 0.00 C ATOM 0 H MET A 45 -4.878 -0.138 -2.792 1.00 0.00 H new ATOM 0 HA MET A 45 -4.439 -0.486 0.105 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.366 1.965 -1.441 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.786 1.909 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.115 1.299 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.079 2.801 -1.362 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.549 1.700 2.077 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.456 2.941 1.181 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.288 1.481 1.768 1.00 0.00 H new ATOM 650 N THR A 46 -6.843 -0.939 0.668 1.00 0.00 N ATOM 651 CA THR A 46 -8.234 -1.264 1.043 1.00 0.00 C ATOM 652 C THR A 46 -8.860 -0.100 1.833 1.00 0.00 C ATOM 653 O THR A 46 -8.159 0.573 2.601 1.00 0.00 O ATOM 654 CB THR A 46 -8.275 -2.597 1.858 1.00 0.00 C ATOM 655 OG1 THR A 46 -7.786 -3.667 1.039 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.680 -2.938 2.381 1.00 0.00 C ATOM 0 H THR A 46 -6.148 -1.318 1.311 1.00 0.00 H new ATOM 0 HA THR A 46 -8.824 -1.407 0.138 1.00 0.00 H new ATOM 0 HB THR A 46 -7.639 -2.463 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.817 -3.754 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.643 -3.874 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.028 -2.139 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.366 -3.043 1.540 1.00 0.00 H new ATOM 664 N GLU A 47 -10.193 0.080 1.663 1.00 0.00 N ATOM 665 CA GLU A 47 -10.943 1.302 2.049 1.00 0.00 C ATOM 666 C GLU A 47 -10.641 1.831 3.470 1.00 0.00 C ATOM 667 O GLU A 47 -10.662 3.031 3.674 1.00 0.00 O ATOM 668 CB GLU A 47 -12.473 1.056 1.910 1.00 0.00 C ATOM 669 CG GLU A 47 -13.339 2.328 2.061 1.00 0.00 C ATOM 670 CD GLU A 47 -14.850 2.055 1.971 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.406 2.073 0.850 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.487 1.819 3.019 1.00 0.00 O ATOM 0 H GLU A 47 -10.789 -0.634 1.245 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.601 2.074 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.670 0.610 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.782 0.329 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.119 2.796 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.060 3.042 1.286 1.00 0.00 H new ATOM 679 N GLU A 48 -10.341 0.932 4.416 1.00 0.00 N ATOM 680 CA GLU A 48 -10.100 1.284 5.841 1.00 0.00 C ATOM 681 C GLU A 48 -9.025 2.397 6.047 1.00 0.00 C ATOM 682 O GLU A 48 -9.214 3.304 6.866 1.00 0.00 O ATOM 683 CB GLU A 48 -9.730 0.002 6.621 1.00 0.00 C ATOM 684 CG GLU A 48 -10.845 -1.067 6.644 1.00 0.00 C ATOM 685 CD GLU A 48 -12.177 -0.546 7.226 1.00 0.00 C ATOM 686 OE1 GLU A 48 -12.316 -0.499 8.469 1.00 0.00 O ATOM 687 OE2 GLU A 48 -13.081 -0.177 6.445 1.00 0.00 O ATOM 0 H GLU A 48 -10.256 -0.066 4.225 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.025 1.710 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.834 -0.433 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.480 0.273 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.016 -1.426 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.508 -1.921 7.232 1.00 0.00 H new ATOM 694 N PHE A 49 -7.914 2.327 5.284 1.00 0.00 N ATOM 695 CA PHE A 49 -6.858 3.372 5.318 1.00 0.00 C ATOM 696 C PHE A 49 -7.291 4.646 4.548 1.00 0.00 C ATOM 697 O PHE A 49 -6.892 5.753 4.898 1.00 0.00 O ATOM 698 CB PHE A 49 -5.526 2.824 4.748 1.00 0.00 C ATOM 699 CG PHE A 49 -4.414 3.870 4.646 1.00 0.00 C ATOM 700 CD1 PHE A 49 -3.905 4.479 5.792 1.00 0.00 C ATOM 701 CD2 PHE A 49 -3.914 4.283 3.410 1.00 0.00 C ATOM 702 CE1 PHE A 49 -2.934 5.455 5.710 1.00 0.00 C ATOM 703 CE2 PHE A 49 -2.946 5.264 3.331 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.454 5.847 4.483 1.00 0.00 C ATOM 0 H PHE A 49 -7.721 1.562 4.637 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.705 3.648 6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.183 2.004 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.711 2.408 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.278 4.181 6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.289 3.830 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.550 5.912 6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.573 5.576 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.693 6.610 4.419 1.00 0.00 H new ATOM 714 N LEU A 50 -8.086 4.475 3.487 1.00 0.00 N ATOM 715 CA LEU A 50 -8.535 5.599 2.630 1.00 0.00 C ATOM 716 C LEU A 50 -9.676 6.393 3.316 1.00 0.00 C ATOM 717 O LEU A 50 -9.906 7.548 2.988 1.00 0.00 O ATOM 718 CB LEU A 50 -8.906 5.104 1.195 1.00 0.00 C ATOM 719 CG LEU A 50 -7.723 4.487 0.370 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.325 3.102 0.891 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.047 4.444 -1.137 1.00 0.00 C ATOM 0 H LEU A 50 -8.439 3.565 3.192 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.705 6.295 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.696 4.358 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.319 5.943 0.635 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.864 5.144 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.503 2.710 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.010 3.181 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.178 2.428 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.206 4.011 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.936 3.835 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.229 5.456 -1.499 1.00 0.00 H new ATOM 733 N LEU A 51 -10.381 5.732 4.261 1.00 0.00 N ATOM 734 CA LEU A 51 -11.336 6.366 5.204 1.00 0.00 C ATOM 735 C LEU A 51 -10.561 7.257 6.210 1.00 0.00 C ATOM 736 O LEU A 51 -10.934 8.401 6.465 1.00 0.00 O ATOM 737 CB LEU A 51 -12.129 5.260 5.970 1.00 0.00 C ATOM 738 CG LEU A 51 -13.216 4.485 5.163 1.00 0.00 C ATOM 739 CD1 LEU A 51 -13.705 3.235 5.935 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.398 5.415 4.808 1.00 0.00 C ATOM 0 H LEU A 51 -10.302 4.724 4.394 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.038 6.986 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.413 4.535 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.611 5.723 6.831 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.762 4.141 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.462 2.717 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.864 2.566 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.134 3.541 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.145 4.855 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.846 5.799 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.037 6.247 4.204 1.00 0.00 H new ATOM 752 N PHE A 52 -9.469 6.687 6.766 1.00 0.00 N ATOM 753 CA PHE A 52 -8.502 7.401 7.646 1.00 0.00 C ATOM 754 C PHE A 52 -7.941 8.669 6.943 1.00 0.00 C ATOM 755 O PHE A 52 -7.960 9.770 7.503 1.00 0.00 O ATOM 756 CB PHE A 52 -7.363 6.406 8.020 1.00 0.00 C ATOM 757 CG PHE A 52 -6.182 6.984 8.803 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.348 7.475 10.098 1.00 0.00 C ATOM 759 CD2 PHE A 52 -4.897 7.019 8.247 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.276 7.982 10.809 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.828 7.524 8.960 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.016 8.004 10.242 1.00 0.00 C ATOM 0 H PHE A 52 -9.227 5.707 6.618 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.002 7.742 8.552 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.797 5.595 8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.979 5.965 7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.328 7.459 10.552 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.740 6.645 7.246 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.424 8.362 11.809 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.844 7.544 8.515 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.179 8.396 10.800 1.00 0.00 H new ATOM 772 N SER A 53 -7.496 8.485 5.691 1.00 0.00 N ATOM 773 CA SER A 53 -6.966 9.570 4.828 1.00 0.00 C ATOM 774 C SER A 53 -8.071 10.571 4.413 1.00 0.00 C ATOM 775 O SER A 53 -7.781 11.737 4.135 1.00 0.00 O ATOM 776 CB SER A 53 -6.294 8.967 3.568 1.00 0.00 C ATOM 777 OG SER A 53 -5.220 8.102 3.914 1.00 0.00 O ATOM 0 H SER A 53 -7.491 7.571 5.237 1.00 0.00 H new ATOM 0 HA SER A 53 -6.225 10.120 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.034 8.416 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.925 9.771 2.931 1.00 0.00 H new ATOM 0 HG SER A 53 -5.578 7.260 4.266 1.00 0.00 H new ATOM 783 N ARG A 54 -9.332 10.089 4.333 1.00 0.00 N ATOM 784 CA ARG A 54 -10.490 10.912 3.913 1.00 0.00 C ATOM 785 C ARG A 54 -10.847 11.982 4.968 1.00 0.00 C ATOM 786 O ARG A 54 -10.812 13.185 4.680 1.00 0.00 O ATOM 787 CB ARG A 54 -11.720 10.018 3.602 1.00 0.00 C ATOM 788 CG ARG A 54 -12.951 10.785 3.077 1.00 0.00 C ATOM 789 CD ARG A 54 -14.160 9.873 2.812 1.00 0.00 C ATOM 790 NE ARG A 54 -15.333 10.656 2.384 1.00 0.00 N ATOM 791 CZ ARG A 54 -16.583 10.407 2.692 1.00 0.00 C ATOM 792 NH1 ARG A 54 -16.909 9.403 3.448 1.00 0.00 N ATOM 793 NH2 ARG A 54 -17.508 11.197 2.262 1.00 0.00 N ATOM 0 H ARG A 54 -9.575 9.124 4.556 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.202 11.434 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.432 9.269 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.001 9.481 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.232 11.550 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.684 11.302 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.907 9.143 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.402 9.314 3.716 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.156 11.468 1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.185 8.786 3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.889 9.231 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.263 12.005 1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.484 11.014 2.495 1.00 0.00 H new ATOM 807 N ASP A 55 -11.147 11.532 6.200 1.00 0.00 N ATOM 808 CA ASP A 55 -11.587 12.426 7.301 1.00 0.00 C ATOM 809 C ASP A 55 -10.463 13.374 7.804 1.00 0.00 C ATOM 810 O ASP A 55 -10.740 14.313 8.560 1.00 0.00 O ATOM 811 CB ASP A 55 -12.154 11.575 8.459 1.00 0.00 C ATOM 812 CG ASP A 55 -13.386 10.767 8.020 1.00 0.00 C ATOM 813 OD1 ASP A 55 -14.460 11.376 7.815 1.00 0.00 O ATOM 814 OD2 ASP A 55 -13.281 9.538 7.842 1.00 0.00 O ATOM 0 H ASP A 55 -11.094 10.548 6.465 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.367 13.075 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.383 10.895 8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.423 12.226 9.291 1.00 0.00 H new ATOM 819 N ARG A 56 -9.208 13.123 7.381 1.00 0.00 N ATOM 820 CA ARG A 56 -8.069 14.022 7.660 1.00 0.00 C ATOM 821 C ARG A 56 -7.007 13.886 6.534 1.00 0.00 C ATOM 822 O ARG A 56 -6.106 13.041 6.610 1.00 0.00 O ATOM 823 CB ARG A 56 -7.479 13.718 9.074 1.00 0.00 C ATOM 824 CG ARG A 56 -6.440 14.745 9.587 1.00 0.00 C ATOM 825 CD ARG A 56 -5.906 14.387 10.990 1.00 0.00 C ATOM 826 NE ARG A 56 -4.897 15.351 11.472 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.596 15.138 11.543 1.00 0.00 C ATOM 828 NH1 ARG A 56 -3.063 14.021 11.145 1.00 0.00 N ATOM 829 NH2 ARG A 56 -2.831 16.066 12.010 1.00 0.00 N ATOM 0 H ARG A 56 -8.956 12.296 6.839 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.407 15.058 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.300 13.666 9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.013 12.733 9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.607 14.797 8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.895 15.735 9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.737 14.353 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.468 13.389 10.965 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.235 16.263 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.653 13.281 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.054 13.885 11.212 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.233 16.951 12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.824 15.915 12.070 1.00 0.00 H new ATOM 843 N GLY A 57 -7.169 14.691 5.459 1.00 0.00 N ATOM 844 CA GLY A 57 -6.253 14.668 4.301 1.00 0.00 C ATOM 845 C GLY A 57 -6.940 15.091 2.993 1.00 0.00 C ATOM 846 O GLY A 57 -6.986 16.284 2.670 1.00 0.00 O ATOM 0 H GLY A 57 -7.929 15.366 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.411 15.332 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.846 13.663 4.185 1.00 0.00 H new ATOM 850 N ASN A 58 -7.499 14.113 2.250 1.00 0.00 N ATOM 851 CA ASN A 58 -8.160 14.348 0.932 1.00 0.00 C ATOM 852 C ASN A 58 -9.446 13.497 0.779 1.00 0.00 C ATOM 853 O ASN A 58 -9.568 12.460 1.410 1.00 0.00 O ATOM 854 CB ASN A 58 -7.157 14.078 -0.235 1.00 0.00 C ATOM 855 CG ASN A 58 -6.338 12.765 -0.146 1.00 0.00 C ATOM 856 OD1 ASN A 58 -5.209 12.708 -0.624 1.00 0.00 O ATOM 857 ND2 ASN A 58 -6.874 11.700 0.437 1.00 0.00 N ATOM 0 H ASN A 58 -7.509 13.135 2.540 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.463 15.394 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.715 14.070 -1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.459 14.914 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.347 10.828 0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.813 11.753 0.832 1.00 0.00 H new ATOM 864 N ASP A 59 -10.377 13.931 -0.095 1.00 0.00 N ATOM 865 CA ASP A 59 -11.680 13.239 -0.306 1.00 0.00 C ATOM 866 C ASP A 59 -11.507 11.797 -0.871 1.00 0.00 C ATOM 867 O ASP A 59 -12.086 10.839 -0.333 1.00 0.00 O ATOM 868 CB ASP A 59 -12.567 14.075 -1.260 1.00 0.00 C ATOM 869 CG ASP A 59 -12.863 15.479 -0.713 1.00 0.00 C ATOM 870 OD1 ASP A 59 -13.850 15.640 0.036 1.00 0.00 O ATOM 871 OD2 ASP A 59 -12.106 16.426 -1.031 1.00 0.00 O ATOM 0 H ASP A 59 -10.256 14.763 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.160 13.147 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.072 14.163 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.507 13.550 -1.430 1.00 0.00 H new ATOM 876 N LEU A 60 -10.711 11.690 -1.968 1.00 0.00 N ATOM 877 CA LEU A 60 -10.406 10.431 -2.702 1.00 0.00 C ATOM 878 C LEU A 60 -11.659 9.896 -3.470 1.00 0.00 C ATOM 879 O LEU A 60 -11.713 9.938 -4.708 1.00 0.00 O ATOM 880 CB LEU A 60 -9.773 9.343 -1.742 1.00 0.00 C ATOM 881 CG LEU A 60 -9.055 8.090 -2.379 1.00 0.00 C ATOM 882 CD1 LEU A 60 -10.035 7.055 -2.970 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.988 8.522 -3.412 1.00 0.00 C ATOM 0 H LEU A 60 -10.250 12.502 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.654 10.659 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.049 9.848 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.567 8.973 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.548 7.580 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.473 6.221 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.695 6.688 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.630 7.524 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.511 7.637 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.464 9.093 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.237 9.141 -2.922 1.00 0.00 H new ATOM 895 N MET A 61 -12.648 9.401 -2.700 1.00 0.00 N ATOM 896 CA MET A 61 -13.837 8.687 -3.214 1.00 0.00 C ATOM 897 C MET A 61 -14.703 9.558 -4.149 1.00 0.00 C ATOM 898 O MET A 61 -14.996 9.144 -5.279 1.00 0.00 O ATOM 899 CB MET A 61 -14.681 8.169 -2.018 1.00 0.00 C ATOM 900 CG MET A 61 -13.894 7.279 -1.055 1.00 0.00 C ATOM 901 SD MET A 61 -14.851 6.791 0.392 1.00 0.00 S ATOM 902 CE MET A 61 -13.611 5.878 1.311 1.00 0.00 C ATOM 0 H MET A 61 -12.644 9.487 -1.684 1.00 0.00 H new ATOM 0 HA MET A 61 -13.484 7.849 -3.815 1.00 0.00 H new ATOM 0 HB2 MET A 61 -15.079 9.022 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 61 -15.535 7.610 -2.401 1.00 0.00 H new ATOM 0 HG2 MET A 61 -13.563 6.385 -1.583 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.998 7.808 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 61 -14.101 5.159 1.967 1.00 0.00 H new ATOM 0 HE2 MET A 61 -12.959 5.349 0.616 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.019 6.570 1.909 1.00 0.00 H new ATOM 912 N THR A 62 -15.086 10.765 -3.657 1.00 0.00 N ATOM 913 CA THR A 62 -15.938 11.743 -4.391 1.00 0.00 C ATOM 914 C THR A 62 -17.402 11.214 -4.558 1.00 0.00 C ATOM 915 O THR A 62 -17.604 10.146 -5.148 1.00 0.00 O ATOM 916 CB THR A 62 -15.328 12.132 -5.796 1.00 0.00 C ATOM 917 OG1 THR A 62 -13.965 12.558 -5.632 1.00 0.00 O ATOM 918 CG2 THR A 62 -16.120 13.245 -6.506 1.00 0.00 C ATOM 0 H THR A 62 -14.810 11.091 -2.731 1.00 0.00 H new ATOM 0 HA THR A 62 -15.965 12.647 -3.783 1.00 0.00 H new ATOM 0 HB THR A 62 -15.383 11.241 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.517 12.564 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.653 13.469 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 62 -17.145 12.914 -6.670 1.00 0.00 H new ATOM 0 HG23 THR A 62 -16.123 14.142 -5.886 1.00 0.00 H new ATOM 926 N PRO A 63 -18.458 11.957 -4.064 1.00 0.00 N ATOM 927 CA PRO A 63 -19.890 11.500 -4.134 1.00 0.00 C ATOM 928 C PRO A 63 -20.551 11.684 -5.543 1.00 0.00 C ATOM 929 O PRO A 63 -21.725 12.062 -5.656 1.00 0.00 O ATOM 930 CB PRO A 63 -20.559 12.379 -3.044 1.00 0.00 C ATOM 931 CG PRO A 63 -19.786 13.666 -3.073 1.00 0.00 C ATOM 932 CD PRO A 63 -18.349 13.282 -3.381 1.00 0.00 C ATOM 0 HA PRO A 63 -19.997 10.428 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -21.614 12.545 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -20.505 11.905 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -20.181 14.342 -3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.855 14.185 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.869 14.021 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -17.752 13.213 -2.471 1.00 0.00 H new ATOM 940 N ARG A 64 -19.788 11.373 -6.606 1.00 0.00 N ATOM 941 CA ARG A 64 -20.250 11.419 -8.014 1.00 0.00 C ATOM 942 C ARG A 64 -20.112 10.010 -8.654 1.00 0.00 C ATOM 943 O ARG A 64 -19.124 9.312 -8.382 1.00 0.00 O ATOM 944 CB ARG A 64 -19.399 12.457 -8.808 1.00 0.00 C ATOM 945 CG ARG A 64 -19.482 13.902 -8.262 1.00 0.00 C ATOM 946 CD ARG A 64 -18.584 14.892 -9.031 1.00 0.00 C ATOM 947 NE ARG A 64 -18.915 14.965 -10.463 1.00 0.00 N ATOM 948 CZ ARG A 64 -18.332 15.747 -11.346 1.00 0.00 C ATOM 949 NH1 ARG A 64 -17.380 16.563 -11.007 1.00 0.00 N ATOM 950 NH2 ARG A 64 -18.712 15.704 -12.579 1.00 0.00 N ATOM 0 H ARG A 64 -18.816 11.077 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 64 -21.297 11.720 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.357 12.137 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.724 12.455 -9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.516 14.244 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -19.196 13.903 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -18.682 15.883 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.542 14.594 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.661 14.357 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.068 16.608 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.944 17.159 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -19.458 15.068 -12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.266 16.306 -13.271 1.00 0.00 H new ATOM 964 N PRO A 65 -21.068 9.563 -9.537 1.00 0.00 N ATOM 965 CA PRO A 65 -20.992 8.227 -10.216 1.00 0.00 C ATOM 966 C PRO A 65 -20.057 8.232 -11.464 1.00 0.00 C ATOM 967 O PRO A 65 -20.232 7.454 -12.406 1.00 0.00 O ATOM 968 CB PRO A 65 -22.468 7.984 -10.606 1.00 0.00 C ATOM 969 CG PRO A 65 -22.991 9.359 -10.919 1.00 0.00 C ATOM 970 CD PRO A 65 -22.299 10.305 -9.945 1.00 0.00 C ATOM 0 HA PRO A 65 -20.564 7.450 -9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -22.550 7.320 -11.467 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -23.025 7.520 -9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -22.773 9.634 -11.951 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -24.074 9.401 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -22.054 11.256 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -22.933 10.529 -9.087 1.00 0.00 H new ATOM 978 N GLU A 66 -19.026 9.090 -11.411 1.00 0.00 N ATOM 979 CA GLU A 66 -18.137 9.414 -12.541 1.00 0.00 C ATOM 980 C GLU A 66 -16.667 9.161 -12.137 1.00 0.00 C ATOM 981 O GLU A 66 -16.208 9.695 -11.122 1.00 0.00 O ATOM 982 CB GLU A 66 -18.351 10.909 -12.920 1.00 0.00 C ATOM 983 CG GLU A 66 -19.810 11.260 -13.306 1.00 0.00 C ATOM 984 CD GLU A 66 -20.119 12.764 -13.265 1.00 0.00 C ATOM 985 OE1 GLU A 66 -19.841 13.470 -14.251 1.00 0.00 O ATOM 986 OE2 GLU A 66 -20.646 13.244 -12.234 1.00 0.00 O ATOM 0 H GLU A 66 -18.780 9.592 -10.558 1.00 0.00 H new ATOM 0 HA GLU A 66 -18.367 8.783 -13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.049 11.533 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.695 11.159 -13.754 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -20.010 10.885 -14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -20.489 10.741 -12.630 1.00 0.00 H new ATOM 993 N PHE A 67 -15.934 8.362 -12.937 1.00 0.00 N ATOM 994 CA PHE A 67 -14.541 7.976 -12.644 1.00 0.00 C ATOM 995 C PHE A 67 -13.601 8.622 -13.677 1.00 0.00 C ATOM 996 O PHE A 67 -13.268 8.026 -14.708 1.00 0.00 O ATOM 997 CB PHE A 67 -14.398 6.425 -12.614 1.00 0.00 C ATOM 998 CG PHE A 67 -13.020 5.901 -12.174 1.00 0.00 C ATOM 999 CD1 PHE A 67 -12.507 6.208 -10.909 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -12.248 5.095 -13.017 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -11.270 5.727 -10.503 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -11.015 4.613 -12.609 1.00 0.00 C ATOM 1003 CZ PHE A 67 -10.526 4.929 -11.354 1.00 0.00 C ATOM 0 H PHE A 67 -16.292 7.966 -13.806 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.260 8.341 -11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.154 6.020 -11.942 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.615 6.037 -13.609 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.082 6.829 -10.238 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.618 4.845 -14.000 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.888 5.975 -9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.434 3.989 -13.272 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.564 4.553 -11.039 1.00 0.00 H new ATOM 1013 N ASN A 68 -13.251 9.889 -13.419 1.00 0.00 N ATOM 1014 CA ASN A 68 -12.282 10.647 -14.231 1.00 0.00 C ATOM 1015 C ASN A 68 -11.352 11.450 -13.288 1.00 0.00 C ATOM 1016 O ASN A 68 -11.612 12.614 -12.960 1.00 0.00 O ATOM 1017 CB ASN A 68 -13.010 11.571 -15.257 1.00 0.00 C ATOM 1018 CG ASN A 68 -12.058 12.256 -16.250 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -11.026 11.707 -16.634 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -12.389 13.460 -16.662 1.00 0.00 N ATOM 0 H ASN A 68 -13.632 10.422 -12.638 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.675 9.955 -14.814 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.738 10.980 -15.813 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.567 12.335 -14.714 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.785 13.960 -17.314 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.250 13.894 -16.329 1.00 0.00 H new ATOM 1027 N PHE A 69 -10.300 10.772 -12.800 1.00 0.00 N ATOM 1028 CA PHE A 69 -9.348 11.307 -11.790 1.00 0.00 C ATOM 1029 C PHE A 69 -7.889 10.949 -12.181 1.00 0.00 C ATOM 1030 O PHE A 69 -7.670 9.942 -12.865 1.00 0.00 O ATOM 1031 CB PHE A 69 -9.668 10.712 -10.381 1.00 0.00 C ATOM 1032 CG PHE A 69 -11.111 10.937 -9.918 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -11.534 12.191 -9.472 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -12.050 9.900 -9.956 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -12.843 12.398 -9.078 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -13.356 10.112 -9.559 1.00 0.00 C ATOM 1037 CZ PHE A 69 -13.754 11.359 -9.122 1.00 0.00 C ATOM 0 H PHE A 69 -10.076 9.822 -13.095 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.454 12.391 -11.757 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.466 9.641 -10.397 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.991 11.153 -9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.830 13.009 -9.434 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -11.750 8.921 -10.300 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.155 13.374 -8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -14.067 9.300 -9.591 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.776 11.523 -8.815 1.00 0.00 H new ATOM 1047 N PRO A 70 -6.852 11.752 -11.755 1.00 0.00 N ATOM 1048 CA PRO A 70 -5.411 11.398 -11.964 1.00 0.00 C ATOM 1049 C PRO A 70 -4.881 10.320 -10.959 1.00 0.00 C ATOM 1050 O PRO A 70 -3.729 10.383 -10.511 1.00 0.00 O ATOM 1051 CB PRO A 70 -4.682 12.776 -11.790 1.00 0.00 C ATOM 1052 CG PRO A 70 -5.778 13.810 -11.690 1.00 0.00 C ATOM 1053 CD PRO A 70 -6.970 13.085 -11.111 1.00 0.00 C ATOM 0 HA PRO A 70 -5.238 10.934 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.059 12.779 -10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.026 12.981 -12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.476 14.640 -11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.012 14.229 -12.669 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.922 13.020 -10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.910 13.578 -11.360 1.00 0.00 H new ATOM 1061 N GLY A 71 -5.715 9.299 -10.671 1.00 0.00 N ATOM 1062 CA GLY A 71 -5.379 8.249 -9.699 1.00 0.00 C ATOM 1063 C GLY A 71 -6.358 7.064 -9.732 1.00 0.00 C ATOM 1064 O GLY A 71 -6.857 6.699 -10.802 1.00 0.00 O ATOM 0 H GLY A 71 -6.631 9.183 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.371 7.886 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.371 8.678 -8.697 1.00 0.00 H new ATOM 1068 N LEU A 72 -6.643 6.476 -8.551 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.500 5.269 -8.415 1.00 0.00 C ATOM 1070 C LEU A 72 -8.418 5.365 -7.164 1.00 0.00 C ATOM 1071 O LEU A 72 -8.405 6.373 -6.444 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.631 3.958 -8.386 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.686 3.723 -7.145 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.084 2.296 -7.164 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.555 4.779 -7.058 1.00 0.00 C ATOM 0 H LEU A 72 -6.287 6.822 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.145 5.221 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.308 3.107 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.012 3.948 -9.283 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.307 3.832 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.437 2.162 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.889 1.561 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.502 2.159 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.932 4.574 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.945 4.734 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.992 5.773 -6.965 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.203 4.300 -6.911 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.262 4.281 -5.866 1.00 0.00 C ATOM 1089 C LYS A 73 -9.848 3.429 -4.634 1.00 0.00 C ATOM 1090 O LYS A 73 -8.729 2.906 -4.564 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.563 3.708 -6.499 1.00 0.00 C ATOM 1092 CG LYS A 73 -11.533 2.174 -6.721 1.00 0.00 C ATOM 1093 CD LYS A 73 -12.559 1.666 -7.748 1.00 0.00 C ATOM 1094 CE LYS A 73 -12.208 2.085 -9.194 1.00 0.00 C ATOM 1095 NZ LYS A 73 -13.116 1.462 -10.188 1.00 0.00 N ATOM 0 H LYS A 73 -9.125 3.422 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.422 5.299 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.407 3.955 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.737 4.200 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.534 1.885 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.713 1.677 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.616 0.579 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.546 2.051 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.265 3.170 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.179 1.801 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.847 1.769 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.044 0.427 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.095 1.753 -9.994 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.786 3.292 -3.667 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.629 2.380 -2.516 1.00 0.00 C ATOM 1111 C ALA A 74 -10.808 0.899 -2.935 1.00 0.00 C ATOM 1112 O ALA A 74 -11.869 0.505 -3.441 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.594 2.770 -1.387 1.00 0.00 C ATOM 0 H ALA A 74 -11.666 3.808 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.611 2.481 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.465 2.088 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.382 3.789 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.620 2.710 -1.749 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.755 0.090 -2.714 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.727 -1.324 -3.114 1.00 0.00 C ATOM 1121 C GLY A 75 -9.513 -1.511 -4.617 1.00 0.00 C ATOM 1122 O GLY A 75 -10.206 -2.309 -5.270 1.00 0.00 O ATOM 0 H GLY A 75 -8.900 0.401 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.931 -1.834 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.665 -1.798 -2.823 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.554 -0.750 -5.171 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.121 -0.889 -6.579 1.00 0.00 C ATOM 1128 C ASP A 76 -6.621 -1.243 -6.636 1.00 0.00 C ATOM 1129 O ASP A 76 -5.845 -0.828 -5.770 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.412 0.408 -7.369 1.00 0.00 C ATOM 1131 CG ASP A 76 -8.307 0.211 -8.890 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.278 -0.302 -9.487 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -7.254 0.519 -9.484 1.00 0.00 O ATOM 0 H ASP A 76 -8.056 -0.022 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.686 -1.697 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.412 0.763 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.712 1.183 -7.058 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.224 -1.996 -7.671 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.854 -2.514 -7.812 1.00 0.00 C ATOM 1140 C ARG A 77 -4.341 -2.326 -9.264 1.00 0.00 C ATOM 1141 O ARG A 77 -4.572 -3.168 -10.136 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.761 -4.012 -7.327 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.758 -5.027 -7.973 1.00 0.00 C ATOM 1144 CD ARG A 77 -7.203 -4.922 -7.437 1.00 0.00 C ATOM 1145 NE ARG A 77 -8.139 -5.805 -8.151 1.00 0.00 N ATOM 1146 CZ ARG A 77 -9.380 -6.060 -7.789 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -9.885 -5.598 -6.680 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -10.117 -6.801 -8.544 1.00 0.00 N ATOM 0 H ARG A 77 -6.844 -2.264 -8.436 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.196 -1.935 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.747 -4.367 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.911 -4.029 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.770 -4.871 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.391 -6.039 -7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.212 -5.172 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.545 -3.891 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.798 -6.258 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.315 -5.020 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.850 -5.815 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.738 -7.183 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.079 -7.006 -8.275 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.672 -1.174 -9.500 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.973 -0.850 -10.772 1.00 0.00 C ATOM 1164 C TRP A 78 -2.319 0.547 -10.659 1.00 0.00 C ATOM 1165 O TRP A 78 -3.013 1.525 -10.362 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.927 -0.874 -12.011 1.00 0.00 C ATOM 1167 CG TRP A 78 -3.207 -0.648 -13.330 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.465 -1.560 -14.032 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.154 0.573 -14.094 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -1.957 -0.979 -15.165 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.367 0.323 -15.229 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.701 1.850 -13.920 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -2.106 1.301 -16.186 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.443 2.823 -14.870 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -2.651 2.542 -15.991 1.00 0.00 C ATOM 0 H TRP A 78 -3.600 -0.431 -8.805 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.218 -1.620 -10.928 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.441 -1.834 -12.046 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.692 -0.107 -11.887 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.304 -2.586 -13.737 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -1.366 -1.446 -15.853 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.314 2.072 -13.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.495 1.088 -17.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -3.858 3.812 -14.745 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.466 3.320 -16.717 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.981 0.615 -10.889 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.185 1.884 -10.884 1.00 0.00 C ATOM 1188 C CYS A 79 -0.353 2.696 -9.560 1.00 0.00 C ATOM 1189 O CYS A 79 -0.242 3.927 -9.545 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.533 2.740 -12.131 1.00 0.00 C ATOM 1191 SG CYS A 79 0.519 4.195 -12.379 1.00 0.00 S ATOM 0 H CYS A 79 -0.416 -0.211 -11.085 1.00 0.00 H new ATOM 0 HA CYS A 79 0.869 1.610 -10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.468 2.108 -13.017 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.569 3.069 -12.050 1.00 0.00 H new ATOM 0 HG CYS A 79 0.683 4.810 -11.245 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.580 1.970 -8.446 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.778 2.564 -7.105 1.00 0.00 C ATOM 1199 C LEU A 80 0.543 3.200 -6.590 1.00 0.00 C ATOM 1200 O LEU A 80 1.609 2.571 -6.645 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.332 1.473 -6.113 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.626 1.873 -4.607 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.378 1.775 -3.700 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.297 3.263 -4.495 1.00 0.00 C ATOM 0 H LEU A 80 -0.632 0.951 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.516 3.363 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.259 1.086 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.618 0.649 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.336 1.133 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.644 2.061 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.006 0.751 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.397 2.444 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.480 3.495 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.641 4.020 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.244 3.255 -5.035 1.00 0.00 H new ATOM 1216 N CYS A 81 0.438 4.454 -6.095 1.00 0.00 N ATOM 1217 CA CYS A 81 1.559 5.202 -5.484 1.00 0.00 C ATOM 1218 C CYS A 81 2.112 4.449 -4.244 1.00 0.00 C ATOM 1219 O CYS A 81 1.462 4.412 -3.197 1.00 0.00 O ATOM 1220 CB CYS A 81 1.075 6.622 -5.092 1.00 0.00 C ATOM 1221 SG CYS A 81 0.362 7.568 -6.462 1.00 0.00 S ATOM 0 H CYS A 81 -0.436 4.980 -6.109 1.00 0.00 H new ATOM 0 HA CYS A 81 2.369 5.287 -6.209 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.331 6.534 -4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.916 7.179 -4.679 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.013 8.736 -6.033 1.00 0.00 H new ATOM 1227 N ALA A 82 3.309 3.843 -4.381 1.00 0.00 N ATOM 1228 CA ALA A 82 3.912 2.984 -3.333 1.00 0.00 C ATOM 1229 C ALA A 82 4.252 3.759 -2.030 1.00 0.00 C ATOM 1230 O ALA A 82 4.325 3.160 -0.961 1.00 0.00 O ATOM 1231 CB ALA A 82 5.147 2.268 -3.883 1.00 0.00 C ATOM 0 H ALA A 82 3.886 3.933 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 82 3.161 2.244 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.581 1.641 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.860 1.647 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.882 3.006 -4.206 1.00 0.00 H new ATOM 1237 N SER A 83 4.467 5.088 -2.134 1.00 0.00 N ATOM 1238 CA SER A 83 4.666 5.970 -0.945 1.00 0.00 C ATOM 1239 C SER A 83 3.399 6.021 -0.048 1.00 0.00 C ATOM 1240 O SER A 83 3.501 6.125 1.178 1.00 0.00 O ATOM 1241 CB SER A 83 5.046 7.403 -1.383 1.00 0.00 C ATOM 1242 OG SER A 83 5.201 8.276 -0.272 1.00 0.00 O ATOM 0 H SER A 83 4.509 5.581 -3.026 1.00 0.00 H new ATOM 0 HA SER A 83 5.482 5.541 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.974 7.374 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.276 7.795 -2.048 1.00 0.00 H new ATOM 0 HG SER A 83 5.442 9.171 -0.590 1.00 0.00 H new ATOM 1248 N ARG A 84 2.213 5.945 -0.689 1.00 0.00 N ATOM 1249 CA ARG A 84 0.896 5.904 0.006 1.00 0.00 C ATOM 1250 C ARG A 84 0.771 4.630 0.886 1.00 0.00 C ATOM 1251 O ARG A 84 0.218 4.673 1.994 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.257 5.955 -1.045 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.714 6.030 -0.496 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.039 7.359 0.230 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.379 7.458 1.542 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.289 8.542 2.275 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -1.737 9.679 1.879 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -0.724 8.466 3.417 1.00 0.00 N ATOM 0 H ARG A 84 2.135 5.910 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 84 0.822 6.772 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.092 6.821 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.178 5.070 -1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.412 5.898 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.876 5.201 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.728 8.196 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.118 7.443 0.362 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.954 6.609 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.182 9.762 0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.648 10.499 2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.353 7.574 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.644 9.297 4.003 1.00 0.00 H new ATOM 1272 N TRP A 85 1.308 3.511 0.364 1.00 0.00 N ATOM 1273 CA TRP A 85 1.318 2.200 1.041 1.00 0.00 C ATOM 1274 C TRP A 85 2.378 2.165 2.184 1.00 0.00 C ATOM 1275 O TRP A 85 2.059 1.803 3.326 1.00 0.00 O ATOM 1276 CB TRP A 85 1.537 1.099 -0.028 1.00 0.00 C ATOM 1277 CG TRP A 85 1.558 -0.344 0.462 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.202 -1.373 -0.154 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.923 -0.936 1.629 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.027 -2.531 0.546 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.266 -2.289 1.641 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.122 -0.466 2.667 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 0.845 -3.164 2.636 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.289 -1.334 3.642 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.073 -2.671 3.624 1.00 0.00 C ATOM 0 H TRP A 85 1.754 3.492 -0.553 1.00 0.00 H new ATOM 0 HA TRP A 85 0.361 2.017 1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.750 1.192 -0.776 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.482 1.300 -0.533 1.00 0.00 H new ATOM 0 HD1 TRP A 85 2.771 -1.285 -1.068 1.00 0.00 H new ATOM 0 HE1 TRP A 85 2.410 -3.440 0.285 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.172 0.573 2.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 1.128 -4.206 2.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.911 -0.968 4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -0.268 -3.326 4.412 1.00 0.00 H new ATOM 1296 N GLN A 86 3.622 2.567 1.861 1.00 0.00 N ATOM 1297 CA GLN A 86 4.725 2.736 2.849 1.00 0.00 C ATOM 1298 C GLN A 86 4.279 3.576 4.089 1.00 0.00 C ATOM 1299 O GLN A 86 4.543 3.197 5.237 1.00 0.00 O ATOM 1300 CB GLN A 86 5.940 3.400 2.125 1.00 0.00 C ATOM 1301 CG GLN A 86 7.178 3.748 2.990 1.00 0.00 C ATOM 1302 CD GLN A 86 7.751 2.582 3.808 1.00 0.00 C ATOM 1303 OE1 GLN A 86 8.595 1.828 3.344 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.308 2.432 5.037 1.00 0.00 N ATOM 0 H GLN A 86 3.900 2.787 0.905 1.00 0.00 H new ATOM 0 HA GLN A 86 5.011 1.757 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.263 2.732 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.590 4.317 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.961 4.133 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.909 4.553 3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.604 3.071 5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.669 1.677 5.620 1.00 0.00 H new ATOM 1313 N GLU A 87 3.558 4.691 3.840 1.00 0.00 N ATOM 1314 CA GLU A 87 3.095 5.605 4.916 1.00 0.00 C ATOM 1315 C GLU A 87 1.988 4.962 5.801 1.00 0.00 C ATOM 1316 O GLU A 87 1.890 5.278 6.984 1.00 0.00 O ATOM 1317 CB GLU A 87 2.600 6.959 4.328 1.00 0.00 C ATOM 1318 CG GLU A 87 2.397 8.070 5.390 1.00 0.00 C ATOM 1319 CD GLU A 87 1.899 9.412 4.824 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.560 9.967 3.925 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.854 9.926 5.290 1.00 0.00 O ATOM 0 H GLU A 87 3.282 4.983 2.903 1.00 0.00 H new ATOM 0 HA GLU A 87 3.956 5.795 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.320 7.306 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.658 6.794 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.683 7.717 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.342 8.237 5.908 1.00 0.00 H new ATOM 1328 N ALA A 88 1.172 4.058 5.217 1.00 0.00 N ATOM 1329 CA ALA A 88 0.096 3.342 5.960 1.00 0.00 C ATOM 1330 C ALA A 88 0.670 2.404 7.043 1.00 0.00 C ATOM 1331 O ALA A 88 0.153 2.349 8.160 1.00 0.00 O ATOM 1332 CB ALA A 88 -0.797 2.553 4.995 1.00 0.00 C ATOM 0 H ALA A 88 1.233 3.802 4.232 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.507 4.099 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.575 2.038 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.257 3.238 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.194 1.821 4.457 1.00 0.00 H new ATOM 1338 N PHE A 89 1.735 1.670 6.689 1.00 0.00 N ATOM 1339 CA PHE A 89 2.452 0.778 7.629 1.00 0.00 C ATOM 1340 C PHE A 89 3.122 1.589 8.768 1.00 0.00 C ATOM 1341 O PHE A 89 3.072 1.198 9.940 1.00 0.00 O ATOM 1342 CB PHE A 89 3.486 -0.064 6.848 1.00 0.00 C ATOM 1343 CG PHE A 89 4.233 -1.113 7.679 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.619 -2.320 8.022 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.548 -0.894 8.116 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.290 -3.272 8.771 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.215 -1.851 8.864 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.586 -3.038 9.192 1.00 0.00 C ATOM 0 H PHE A 89 2.127 1.674 5.747 1.00 0.00 H new ATOM 0 HA PHE A 89 1.736 0.104 8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.975 -0.569 6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.217 0.610 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.607 -2.513 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.046 0.031 7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.800 -4.200 9.027 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.228 -1.669 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.107 -3.782 9.777 1.00 0.00 H new ATOM 1358 N GLU A 90 3.717 2.731 8.397 1.00 0.00 N ATOM 1359 CA GLU A 90 4.326 3.684 9.350 1.00 0.00 C ATOM 1360 C GLU A 90 3.273 4.372 10.264 1.00 0.00 C ATOM 1361 O GLU A 90 3.576 4.747 11.401 1.00 0.00 O ATOM 1362 CB GLU A 90 5.142 4.735 8.556 1.00 0.00 C ATOM 1363 CG GLU A 90 6.420 4.174 7.889 1.00 0.00 C ATOM 1364 CD GLU A 90 7.458 3.672 8.911 1.00 0.00 C ATOM 1365 OE1 GLU A 90 8.105 4.519 9.570 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.616 2.444 9.082 1.00 0.00 O ATOM 0 H GLU A 90 3.792 3.026 7.424 1.00 0.00 H new ATOM 0 HA GLU A 90 4.984 3.126 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.504 5.168 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.423 5.545 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.147 3.355 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.872 4.950 7.271 1.00 0.00 H new ATOM 1373 N ALA A 91 2.046 4.545 9.746 1.00 0.00 N ATOM 1374 CA ALA A 91 0.900 5.101 10.513 1.00 0.00 C ATOM 1375 C ALA A 91 0.219 4.025 11.397 1.00 0.00 C ATOM 1376 O ALA A 91 -0.576 4.354 12.288 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.125 5.718 9.540 1.00 0.00 C ATOM 0 H ALA A 91 1.812 4.305 8.783 1.00 0.00 H new ATOM 0 HA ALA A 91 1.285 5.873 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.964 6.125 10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.350 6.516 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.486 4.949 8.857 1.00 0.00 H new ATOM 1383 N GLY A 92 0.534 2.739 11.123 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.120 1.598 11.789 1.00 0.00 C ATOM 1385 C GLY A 92 -1.511 1.279 11.222 1.00 0.00 C ATOM 1386 O GLY A 92 -2.230 0.433 11.753 1.00 0.00 O ATOM 0 H GLY A 92 1.242 2.468 10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.515 0.717 11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.210 1.811 12.854 1.00 0.00 H new ATOM 1390 N MET A 93 -1.878 1.954 10.121 1.00 0.00 N ATOM 1391 CA MET A 93 -3.203 1.823 9.464 1.00 0.00 C ATOM 1392 C MET A 93 -3.129 0.979 8.168 1.00 0.00 C ATOM 1393 O MET A 93 -4.041 1.033 7.337 1.00 0.00 O ATOM 1394 CB MET A 93 -3.741 3.244 9.166 1.00 0.00 C ATOM 1395 CG MET A 93 -4.029 4.066 10.423 1.00 0.00 C ATOM 1396 SD MET A 93 -5.304 3.314 11.463 1.00 0.00 S ATOM 1397 CE MET A 93 -6.721 3.285 10.360 1.00 0.00 C ATOM 0 H MET A 93 -1.261 2.616 9.651 1.00 0.00 H new ATOM 0 HA MET A 93 -3.881 1.296 10.135 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.015 3.777 8.552 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.655 3.161 8.579 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.111 4.175 11.000 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.345 5.068 10.134 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.609 3.615 10.900 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.540 3.952 9.517 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.875 2.270 9.993 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.032 0.207 8.036 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.752 -0.699 6.897 1.00 0.00 C ATOM 1409 C ALA A 94 -2.914 -1.699 6.562 1.00 0.00 C ATOM 1410 O ALA A 94 -3.157 -2.642 7.328 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.454 -1.472 7.191 1.00 0.00 C ATOM 0 H ALA A 94 -1.292 0.194 8.738 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.650 -0.072 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.235 -2.144 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.369 -0.768 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.576 -2.053 8.105 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.648 -1.502 5.412 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.701 -2.448 4.948 1.00 0.00 C ATOM 1419 C PRO A 95 -4.135 -3.620 4.069 1.00 0.00 C ATOM 1420 O PRO A 95 -2.961 -3.586 3.681 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.611 -1.501 4.133 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.654 -0.561 3.469 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.543 -0.330 4.485 1.00 0.00 C ATOM 0 HA PRO A 95 -5.202 -2.974 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.204 -2.049 3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.311 -0.969 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.260 -0.988 2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.144 0.376 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.566 -0.288 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.678 0.612 5.016 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.946 -4.701 3.778 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.517 -5.820 2.880 1.00 0.00 C ATOM 1433 C PRO A 96 -4.129 -5.384 1.426 1.00 0.00 C ATOM 1434 O PRO A 96 -4.905 -4.722 0.721 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.736 -6.794 2.899 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.887 -5.972 3.396 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.289 -4.972 4.360 1.00 0.00 C ATOM 0 HA PRO A 96 -3.592 -6.273 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.937 -7.193 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.549 -7.646 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.393 -5.468 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.630 -6.597 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.891 -4.065 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.216 -5.379 5.369 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.908 -5.790 1.007 1.00 0.00 N ATOM 1446 CA VAL A 97 -2.331 -5.534 -0.338 1.00 0.00 C ATOM 1447 C VAL A 97 -2.135 -6.888 -1.082 1.00 0.00 C ATOM 1448 O VAL A 97 -2.416 -7.951 -0.530 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.942 -4.772 -0.189 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.116 -5.668 0.497 1.00 0.00 C ATOM 1451 CG2 VAL A 97 -0.389 -4.218 -1.531 1.00 0.00 C ATOM 0 H VAL A 97 -2.278 -6.319 1.610 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.010 -4.908 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.148 -3.909 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.054 -5.121 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.234 -5.950 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.274 -6.566 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.559 -3.711 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.235 -5.041 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.103 -3.512 -1.955 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.705 -6.847 -2.353 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.186 -8.043 -3.052 1.00 0.00 C ATOM 1463 C VAL A 98 0.373 -8.097 -2.966 1.00 0.00 C ATOM 1464 O VAL A 98 1.032 -7.104 -2.638 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.657 -8.087 -4.564 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.192 -7.909 -4.696 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.918 -7.048 -5.433 1.00 0.00 C ATOM 0 H VAL A 98 -1.705 -6.000 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.597 -8.919 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.398 -9.078 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.473 -7.945 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.699 -8.710 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.484 -6.947 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.273 -7.115 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.111 -6.047 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.153 -7.247 -5.406 1.00 0.00 H new ATOM 1477 N LEU A 99 0.931 -9.285 -3.200 1.00 0.00 N ATOM 1478 CA LEU A 99 2.369 -9.483 -3.547 1.00 0.00 C ATOM 1479 C LEU A 99 2.466 -10.007 -4.997 1.00 0.00 C ATOM 1480 O LEU A 99 3.448 -9.761 -5.700 1.00 0.00 O ATOM 1481 CB LEU A 99 3.057 -10.506 -2.574 1.00 0.00 C ATOM 1482 CG LEU A 99 3.841 -9.901 -1.373 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.292 -11.017 -0.404 1.00 0.00 C ATOM 1484 CD2 LEU A 99 5.049 -9.060 -1.850 1.00 0.00 C ATOM 0 H LEU A 99 0.404 -10.158 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 99 2.884 -8.527 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.289 -11.172 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.744 -11.121 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 99 3.169 -9.230 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.839 -10.576 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.417 -11.546 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.939 -11.718 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.573 -8.653 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.729 -9.691 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.697 -8.242 -2.479 1.00 0.00 H new ATOM 1496 N GLN A 100 1.411 -10.745 -5.404 1.00 0.00 N ATOM 1497 CA GLN A 100 1.335 -11.471 -6.689 1.00 0.00 C ATOM 1498 C GLN A 100 1.481 -10.522 -7.903 1.00 0.00 C ATOM 1499 O GLN A 100 2.239 -10.800 -8.836 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.014 -12.240 -6.751 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.253 -13.180 -5.549 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.559 -13.973 -5.635 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.604 -15.059 -6.196 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.626 -13.438 -5.078 1.00 0.00 N ATOM 0 H GLN A 100 0.571 -10.855 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 100 2.167 -12.173 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.830 -11.519 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.046 -12.826 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.581 -13.878 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.257 -12.589 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.560 -12.531 -4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.518 -13.931 -5.108 1.00 0.00 H new ATOM 1513 N SER A 101 0.754 -9.392 -7.862 1.00 0.00 N ATOM 1514 CA SER A 101 0.816 -8.365 -8.927 1.00 0.00 C ATOM 1515 C SER A 101 1.788 -7.215 -8.568 1.00 0.00 C ATOM 1516 O SER A 101 2.267 -6.525 -9.462 1.00 0.00 O ATOM 1517 CB SER A 101 -0.590 -7.803 -9.229 1.00 0.00 C ATOM 1518 OG SER A 101 -0.566 -6.902 -10.335 1.00 0.00 O ATOM 0 H SER A 101 0.114 -9.163 -7.102 1.00 0.00 H new ATOM 0 HA SER A 101 1.200 -8.855 -9.822 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.273 -8.625 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.975 -7.289 -8.348 1.00 0.00 H new ATOM 0 HG SER A 101 -1.471 -6.565 -10.502 1.00 0.00 H new ATOM 1524 N THR A 102 2.050 -6.996 -7.259 1.00 0.00 N ATOM 1525 CA THR A 102 3.038 -5.974 -6.808 1.00 0.00 C ATOM 1526 C THR A 102 4.472 -6.319 -7.289 1.00 0.00 C ATOM 1527 O THR A 102 5.084 -7.289 -6.819 1.00 0.00 O ATOM 1528 CB THR A 102 3.037 -5.787 -5.250 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.730 -5.429 -4.794 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.018 -4.697 -4.788 1.00 0.00 C ATOM 0 H THR A 102 1.599 -7.505 -6.499 1.00 0.00 H new ATOM 0 HA THR A 102 2.726 -5.033 -7.262 1.00 0.00 H new ATOM 0 HB THR A 102 3.350 -6.741 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.475 -6.007 -4.044 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.978 -4.608 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.030 -4.965 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.743 -3.744 -5.240 1.00 0.00 H new ATOM 1538 N GLU A 103 4.979 -5.511 -8.240 1.00 0.00 N ATOM 1539 CA GLU A 103 6.342 -5.650 -8.803 1.00 0.00 C ATOM 1540 C GLU A 103 7.448 -5.371 -7.739 1.00 0.00 C ATOM 1541 O GLU A 103 7.218 -4.648 -6.767 1.00 0.00 O ATOM 1542 CB GLU A 103 6.506 -4.690 -10.024 1.00 0.00 C ATOM 1543 CG GLU A 103 5.642 -5.035 -11.274 1.00 0.00 C ATOM 1544 CD GLU A 103 4.178 -4.555 -11.215 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.909 -3.502 -10.607 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.300 -5.211 -11.812 1.00 0.00 O ATOM 0 H GLU A 103 4.452 -4.737 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 103 6.466 -6.683 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.260 -3.678 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.555 -4.684 -10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.115 -4.599 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.647 -6.116 -11.412 1.00 0.00 H new ATOM 1553 N LYS A 104 8.659 -5.935 -7.954 1.00 0.00 N ATOM 1554 CA LYS A 104 9.829 -5.757 -7.033 1.00 0.00 C ATOM 1555 C LYS A 104 10.344 -4.295 -7.022 1.00 0.00 C ATOM 1556 O LYS A 104 11.098 -3.897 -6.129 1.00 0.00 O ATOM 1557 CB LYS A 104 10.996 -6.727 -7.396 1.00 0.00 C ATOM 1558 CG LYS A 104 10.761 -8.223 -7.055 1.00 0.00 C ATOM 1559 CD LYS A 104 9.698 -8.917 -7.945 1.00 0.00 C ATOM 1560 CE LYS A 104 9.454 -10.378 -7.530 1.00 0.00 C ATOM 1561 NZ LYS A 104 8.513 -11.066 -8.457 1.00 0.00 N ATOM 0 H LYS A 104 8.862 -6.524 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 104 9.471 -5.999 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.193 -6.644 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.895 -6.393 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.705 -8.759 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.454 -8.303 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.761 -8.364 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.022 -8.886 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.403 -10.914 -7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.052 -10.406 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.374 -12.048 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.599 -10.569 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.908 -11.062 -9.419 1.00 0.00 H new ATOM 1575 N SER A 105 9.936 -3.523 -8.040 1.00 0.00 N ATOM 1576 CA SER A 105 10.193 -2.069 -8.133 1.00 0.00 C ATOM 1577 C SER A 105 9.551 -1.283 -6.964 1.00 0.00 C ATOM 1578 O SER A 105 10.007 -0.184 -6.626 1.00 0.00 O ATOM 1579 CB SER A 105 9.663 -1.540 -9.476 1.00 0.00 C ATOM 1580 OG SER A 105 9.769 -0.135 -9.553 1.00 0.00 O ATOM 0 H SER A 105 9.412 -3.890 -8.834 1.00 0.00 H new ATOM 0 HA SER A 105 11.271 -1.918 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.222 -1.994 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.621 -1.835 -9.600 1.00 0.00 H new ATOM 0 HG SER A 105 8.874 0.263 -9.518 1.00 0.00 H new ATOM 1586 N ALA A 106 8.465 -1.838 -6.385 1.00 0.00 N ATOM 1587 CA ALA A 106 7.814 -1.275 -5.182 1.00 0.00 C ATOM 1588 C ALA A 106 8.809 -1.091 -4.016 1.00 0.00 C ATOM 1589 O ALA A 106 8.758 -0.085 -3.317 1.00 0.00 O ATOM 1590 CB ALA A 106 6.646 -2.161 -4.741 1.00 0.00 C ATOM 0 H ALA A 106 8.017 -2.684 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 106 7.436 -0.289 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.178 -1.732 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.912 -2.222 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.015 -3.160 -4.509 1.00 0.00 H new ATOM 1596 N LEU A 107 9.751 -2.051 -3.872 1.00 0.00 N ATOM 1597 CA LEU A 107 10.769 -2.099 -2.769 1.00 0.00 C ATOM 1598 C LEU A 107 11.797 -0.918 -2.824 1.00 0.00 C ATOM 1599 O LEU A 107 12.719 -0.859 -2.011 1.00 0.00 O ATOM 1600 CB LEU A 107 11.517 -3.482 -2.800 1.00 0.00 C ATOM 1601 CG LEU A 107 10.752 -4.737 -2.231 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.353 -4.929 -2.852 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.602 -6.023 -2.401 1.00 0.00 C ATOM 0 H LEU A 107 9.836 -2.831 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 107 10.228 -1.987 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.789 -3.694 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.447 -3.374 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 107 10.598 -4.546 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.880 -5.810 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.741 -4.050 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.448 -5.063 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.054 -6.877 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.807 -6.186 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.543 -5.911 -1.862 1.00 0.00 H new ATOM 1615 N ARG A 108 11.601 0.020 -3.773 1.00 0.00 N ATOM 1616 CA ARG A 108 12.430 1.243 -3.931 1.00 0.00 C ATOM 1617 C ARG A 108 11.737 2.468 -3.278 1.00 0.00 C ATOM 1618 O ARG A 108 12.327 3.544 -3.149 1.00 0.00 O ATOM 1619 CB ARG A 108 12.674 1.499 -5.442 1.00 0.00 C ATOM 1620 CG ARG A 108 13.439 0.365 -6.170 1.00 0.00 C ATOM 1621 CD ARG A 108 13.536 0.596 -7.693 1.00 0.00 C ATOM 1622 NE ARG A 108 14.053 1.938 -8.017 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.303 2.245 -8.301 1.00 0.00 C ATOM 1624 NH1 ARG A 108 16.245 1.344 -8.325 1.00 0.00 N ATOM 1625 NH2 ARG A 108 15.610 3.477 -8.541 1.00 0.00 N ATOM 0 H ARG A 108 10.853 -0.047 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 108 13.385 1.095 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.712 1.645 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.233 2.428 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.443 0.284 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.939 -0.585 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.187 -0.159 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.551 0.469 -8.142 1.00 0.00 H new ATOM 0 HE ARG A 108 13.378 2.703 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 108 16.024 0.369 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.203 1.614 -8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.889 4.198 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.573 3.729 -8.762 1.00 0.00 H new ATOM 1639 N TYR A 109 10.466 2.277 -2.893 1.00 0.00 N ATOM 1640 CA TYR A 109 9.613 3.297 -2.257 1.00 0.00 C ATOM 1641 C TYR A 109 9.158 2.769 -0.877 1.00 0.00 C ATOM 1642 O TYR A 109 9.244 3.472 0.133 1.00 0.00 O ATOM 1643 CB TYR A 109 8.381 3.587 -3.152 1.00 0.00 C ATOM 1644 CG TYR A 109 8.707 3.938 -4.622 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.935 2.934 -5.578 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.787 5.267 -5.052 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.222 3.246 -6.894 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.074 5.579 -6.367 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.292 4.566 -7.282 1.00 0.00 C ATOM 1650 OH TYR A 109 9.585 4.880 -8.595 1.00 0.00 O ATOM 0 H TYR A 109 9.988 1.384 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 109 10.172 4.224 -2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.728 2.714 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.819 4.412 -2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.885 1.897 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.621 6.064 -4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.390 2.459 -7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.128 6.611 -6.679 1.00 0.00 H new ATOM 0 HH TYR A 109 9.596 5.854 -8.704 1.00 0.00 H new ATOM 1660 N VAL A 110 8.647 1.518 -0.869 1.00 0.00 N ATOM 1661 CA VAL A 110 8.404 0.742 0.369 1.00 0.00 C ATOM 1662 C VAL A 110 9.646 -0.097 0.753 1.00 0.00 C ATOM 1663 O VAL A 110 10.715 0.001 0.148 1.00 0.00 O ATOM 1664 CB VAL A 110 7.193 -0.270 0.236 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.873 0.405 -0.095 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.484 -1.365 -0.798 1.00 0.00 C ATOM 0 H VAL A 110 8.391 1.017 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 110 8.175 1.487 1.131 1.00 0.00 H new ATOM 0 HB VAL A 110 7.089 -0.721 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.088 -0.348 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.620 1.115 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.962 0.933 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.631 -2.041 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.659 -0.908 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.369 -1.925 -0.496 1.00 0.00 H new ATOM 1676 N SER A 111 9.463 -0.911 1.787 1.00 0.00 N ATOM 1677 CA SER A 111 10.253 -2.126 2.016 1.00 0.00 C ATOM 1678 C SER A 111 9.360 -3.366 1.779 1.00 0.00 C ATOM 1679 O SER A 111 8.126 -3.267 1.790 1.00 0.00 O ATOM 1680 CB SER A 111 10.784 -2.120 3.449 1.00 0.00 C ATOM 1681 OG SER A 111 11.579 -3.258 3.711 1.00 0.00 O ATOM 0 H SER A 111 8.754 -0.748 2.502 1.00 0.00 H new ATOM 0 HA SER A 111 11.096 -2.159 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.372 -1.218 3.617 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.948 -2.090 4.148 1.00 0.00 H new ATOM 0 HG SER A 111 12.457 -2.975 4.041 1.00 0.00 H new ATOM 1687 N LEU A 112 9.988 -4.523 1.553 1.00 0.00 N ATOM 1688 CA LEU A 112 9.282 -5.825 1.444 1.00 0.00 C ATOM 1689 C LEU A 112 8.371 -6.110 2.673 1.00 0.00 C ATOM 1690 O LEU A 112 7.274 -6.661 2.532 1.00 0.00 O ATOM 1691 CB LEU A 112 10.340 -6.955 1.238 1.00 0.00 C ATOM 1692 CG LEU A 112 9.842 -8.456 1.303 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.575 -9.342 0.272 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.010 -9.047 2.734 1.00 0.00 C ATOM 0 H LEU A 112 10.999 -4.595 1.439 1.00 0.00 H new ATOM 0 HA LEU A 112 8.614 -5.790 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.810 -6.800 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.117 -6.827 1.992 1.00 0.00 H new ATOM 0 HG LEU A 112 8.781 -8.450 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.208 -10.366 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.390 -8.961 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.646 -9.326 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.659 -10.079 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.062 -9.019 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.427 -8.458 3.442 1.00 0.00 H new ATOM 1706 N ALA A 113 8.842 -5.704 3.864 1.00 0.00 N ATOM 1707 CA ALA A 113 8.148 -5.940 5.155 1.00 0.00 C ATOM 1708 C ALA A 113 6.756 -5.255 5.244 1.00 0.00 C ATOM 1709 O ALA A 113 5.858 -5.774 5.918 1.00 0.00 O ATOM 1710 CB ALA A 113 9.055 -5.486 6.307 1.00 0.00 C ATOM 0 H ALA A 113 9.722 -5.198 3.966 1.00 0.00 H new ATOM 0 HA ALA A 113 7.954 -7.010 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.549 -5.657 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.985 -6.054 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.275 -4.424 6.200 1.00 0.00 H new ATOM 1716 N ASP A 114 6.588 -4.099 4.558 1.00 0.00 N ATOM 1717 CA ASP A 114 5.282 -3.400 4.471 1.00 0.00 C ATOM 1718 C ASP A 114 4.241 -4.305 3.783 1.00 0.00 C ATOM 1719 O ASP A 114 3.119 -4.483 4.274 1.00 0.00 O ATOM 1720 CB ASP A 114 5.428 -2.085 3.665 1.00 0.00 C ATOM 1721 CG ASP A 114 6.450 -1.120 4.274 1.00 0.00 C ATOM 1722 OD1 ASP A 114 7.659 -1.401 4.193 1.00 0.00 O ATOM 1723 OD2 ASP A 114 6.057 -0.090 4.833 1.00 0.00 O ATOM 0 H ASP A 114 7.342 -3.630 4.056 1.00 0.00 H new ATOM 0 HA ASP A 114 4.949 -3.167 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.725 -2.323 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.458 -1.590 3.608 1.00 0.00 H new ATOM 1728 N LEU A 115 4.679 -4.903 2.663 1.00 0.00 N ATOM 1729 CA LEU A 115 3.828 -5.723 1.790 1.00 0.00 C ATOM 1730 C LEU A 115 3.389 -7.007 2.519 1.00 0.00 C ATOM 1731 O LEU A 115 2.201 -7.236 2.728 1.00 0.00 O ATOM 1732 CB LEU A 115 4.581 -6.105 0.472 1.00 0.00 C ATOM 1733 CG LEU A 115 5.472 -5.005 -0.210 1.00 0.00 C ATOM 1734 CD1 LEU A 115 5.872 -5.403 -1.636 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.799 -3.642 -0.219 1.00 0.00 C ATOM 0 H LEU A 115 5.643 -4.829 2.337 1.00 0.00 H new ATOM 0 HA LEU A 115 2.948 -5.133 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.216 -6.964 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.838 -6.432 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 115 6.375 -4.929 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.487 -4.617 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.438 -6.334 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.975 -5.541 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.454 -2.916 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.860 -3.704 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.600 -3.328 0.806 1.00 0.00 H new ATOM 1747 N GLN A 116 4.393 -7.775 2.983 1.00 0.00 N ATOM 1748 CA GLN A 116 4.204 -9.143 3.535 1.00 0.00 C ATOM 1749 C GLN A 116 3.391 -9.143 4.844 1.00 0.00 C ATOM 1750 O GLN A 116 2.780 -10.155 5.206 1.00 0.00 O ATOM 1751 CB GLN A 116 5.586 -9.807 3.742 1.00 0.00 C ATOM 1752 CG GLN A 116 6.466 -9.858 2.452 1.00 0.00 C ATOM 1753 CD GLN A 116 7.065 -11.236 2.122 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.277 -12.067 2.993 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.380 -11.467 0.860 1.00 0.00 N ATOM 0 H GLN A 116 5.366 -7.468 2.988 1.00 0.00 H new ATOM 0 HA GLN A 116 3.624 -9.720 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.126 -9.263 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.438 -10.823 4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.862 -9.530 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.281 -9.142 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.194 -10.759 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.809 -12.354 0.596 1.00 0.00 H new ATOM 1764 N ALA A 117 3.423 -7.998 5.548 1.00 0.00 N ATOM 1765 CA ALA A 117 2.585 -7.741 6.745 1.00 0.00 C ATOM 1766 C ALA A 117 1.068 -8.027 6.513 1.00 0.00 C ATOM 1767 O ALA A 117 0.394 -8.571 7.396 1.00 0.00 O ATOM 1768 CB ALA A 117 2.778 -6.289 7.208 1.00 0.00 C ATOM 0 H ALA A 117 4.033 -7.217 5.306 1.00 0.00 H new ATOM 0 HA ALA A 117 2.917 -8.436 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.161 -6.103 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.826 -6.123 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.484 -5.610 6.408 1.00 0.00 H new ATOM 1774 N HIS A 118 0.536 -7.651 5.324 1.00 0.00 N ATOM 1775 CA HIS A 118 -0.917 -7.791 4.994 1.00 0.00 C ATOM 1776 C HIS A 118 -1.157 -8.243 3.522 1.00 0.00 C ATOM 1777 O HIS A 118 -2.253 -8.069 2.993 1.00 0.00 O ATOM 1778 CB HIS A 118 -1.659 -6.448 5.271 1.00 0.00 C ATOM 1779 CG HIS A 118 -1.626 -6.012 6.718 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.805 -5.008 7.186 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -2.274 -6.495 7.811 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.952 -4.889 8.490 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -1.833 -5.779 8.894 1.00 0.00 N ATOM 0 H HIS A 118 1.090 -7.246 4.569 1.00 0.00 H new ATOM 0 HA HIS A 118 -1.319 -8.574 5.637 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -1.213 -5.666 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -2.698 -6.548 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.001 -7.294 7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -0.436 -4.180 9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.139 -5.914 9.858 1.00 0.00 H new ATOM 1792 N ALA A 119 -0.148 -8.864 2.886 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.246 -9.315 1.467 1.00 0.00 C ATOM 1794 C ALA A 119 -1.147 -10.558 1.283 1.00 0.00 C ATOM 1795 O ALA A 119 -1.754 -10.749 0.222 1.00 0.00 O ATOM 1796 CB ALA A 119 1.143 -9.619 0.915 1.00 0.00 C ATOM 0 H ALA A 119 0.750 -9.070 3.324 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.707 -8.495 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.059 -9.947 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.758 -8.720 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.606 -10.407 1.509 1.00 0.00 H new ATOM 1802 N LEU A 120 -1.193 -11.406 2.313 1.00 0.00 N ATOM 1803 CA LEU A 120 -1.917 -12.695 2.283 1.00 0.00 C ATOM 1804 C LEU A 120 -3.156 -12.653 3.217 1.00 0.00 C ATOM 1805 O LEU A 120 -3.301 -11.712 4.016 1.00 0.00 O ATOM 1806 CB LEU A 120 -0.964 -13.860 2.713 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.466 -13.875 4.209 1.00 0.00 C ATOM 1808 CD1 LEU A 120 0.047 -15.275 4.611 1.00 0.00 C ATOM 1809 CD2 LEU A 120 0.623 -12.800 4.465 1.00 0.00 C ATOM 0 H LEU A 120 -0.728 -11.223 3.202 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.258 -12.871 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.475 -14.803 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.087 -13.834 2.066 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.325 -13.631 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.384 -15.255 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.758 -16.002 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.878 -15.557 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.939 -12.843 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.480 -12.988 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.216 -11.812 4.250 1.00 0.00 H new ATOM 1821 N PRO A 121 -4.104 -13.644 3.087 1.00 0.00 N ATOM 1822 CA PRO A 121 -5.100 -13.952 4.149 1.00 0.00 C ATOM 1823 C PRO A 121 -4.457 -14.118 5.565 1.00 0.00 C ATOM 1824 O PRO A 121 -3.986 -15.202 5.935 1.00 0.00 O ATOM 1825 CB PRO A 121 -5.731 -15.276 3.654 1.00 0.00 C ATOM 1826 CG PRO A 121 -5.640 -15.200 2.159 1.00 0.00 C ATOM 1827 CD PRO A 121 -4.336 -14.480 1.867 1.00 0.00 C ATOM 0 HA PRO A 121 -5.820 -13.145 4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.193 -16.141 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.765 -15.370 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -5.647 -16.195 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -6.489 -14.659 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.519 -15.183 1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -4.411 -13.865 0.970 1.00 0.00 H new ATOM 1835 N VAL A 122 -4.401 -13.006 6.315 1.00 0.00 N ATOM 1836 CA VAL A 122 -3.828 -12.956 7.682 1.00 0.00 C ATOM 1837 C VAL A 122 -4.921 -12.608 8.722 1.00 0.00 C ATOM 1838 O VAL A 122 -5.699 -11.663 8.540 1.00 0.00 O ATOM 1839 CB VAL A 122 -2.620 -11.930 7.775 1.00 0.00 C ATOM 1840 CG1 VAL A 122 -3.006 -10.510 7.271 1.00 0.00 C ATOM 1841 CG2 VAL A 122 -2.023 -11.881 9.214 1.00 0.00 C ATOM 0 H VAL A 122 -4.754 -12.105 5.992 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.436 -13.947 7.909 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.844 -12.300 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.145 -9.847 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.319 -10.567 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.825 -10.120 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.198 -11.169 9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.795 -11.570 9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.658 -12.870 9.490 1.00 0.00 H new ATOM 1851 N LEU A 123 -4.975 -13.402 9.805 1.00 0.00 N ATOM 1852 CA LEU A 123 -5.892 -13.181 10.940 1.00 0.00 C ATOM 1853 C LEU A 123 -5.202 -13.509 12.284 1.00 0.00 C ATOM 1854 O LEU A 123 -4.213 -14.256 12.320 1.00 0.00 O ATOM 1855 CB LEU A 123 -7.208 -13.979 10.739 1.00 0.00 C ATOM 1856 CG LEU A 123 -7.086 -15.514 10.424 1.00 0.00 C ATOM 1857 CD1 LEU A 123 -6.990 -16.388 11.697 1.00 0.00 C ATOM 1858 CD2 LEU A 123 -8.242 -15.962 9.512 1.00 0.00 C ATOM 0 H LEU A 123 -4.379 -14.222 9.920 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.157 -12.124 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.810 -13.868 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.763 -13.512 9.926 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.144 -15.662 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -6.908 -17.437 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.111 -16.098 12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -7.884 -16.246 12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -8.147 -17.027 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -9.193 -15.775 10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.206 -15.402 8.578 1.00 0.00 H new ATOM 1870 N GLU A 124 -5.721 -12.933 13.379 1.00 0.00 N ATOM 1871 CA GLU A 124 -5.220 -13.201 14.743 1.00 0.00 C ATOM 1872 C GLU A 124 -5.520 -14.669 15.162 1.00 0.00 C ATOM 1873 O GLU A 124 -6.647 -15.008 15.532 1.00 0.00 O ATOM 1874 CB GLU A 124 -5.843 -12.193 15.741 1.00 0.00 C ATOM 1875 CG GLU A 124 -5.297 -12.287 17.179 1.00 0.00 C ATOM 1876 CD GLU A 124 -5.992 -11.313 18.148 1.00 0.00 C ATOM 1877 OE1 GLU A 124 -5.621 -10.118 18.178 1.00 0.00 O ATOM 1878 OE2 GLU A 124 -6.915 -11.735 18.881 1.00 0.00 O ATOM 0 H GLU A 124 -6.496 -12.271 13.349 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.138 -13.072 14.754 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.674 -11.183 15.368 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.922 -12.347 15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.422 -13.306 17.544 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.227 -12.081 17.170 1.00 0.00 H new ATOM 1885 N HIS A 125 -4.501 -15.539 15.035 1.00 0.00 N ATOM 1886 CA HIS A 125 -4.590 -16.977 15.387 1.00 0.00 C ATOM 1887 C HIS A 125 -3.643 -17.322 16.580 1.00 0.00 C ATOM 1888 O HIS A 125 -3.553 -18.486 16.992 1.00 0.00 O ATOM 1889 CB HIS A 125 -4.240 -17.811 14.119 1.00 0.00 C ATOM 1890 CG HIS A 125 -4.390 -19.302 14.268 1.00 0.00 C ATOM 1891 ND1 HIS A 125 -3.317 -20.163 14.281 1.00 0.00 N ATOM 1892 CD2 HIS A 125 -5.487 -20.077 14.444 1.00 0.00 C ATOM 1893 CE1 HIS A 125 -3.741 -21.393 14.459 1.00 0.00 C ATOM 1894 NE2 HIS A 125 -5.054 -21.374 14.557 1.00 0.00 N ATOM 0 H HIS A 125 -3.583 -15.266 14.683 1.00 0.00 H new ATOM 0 HA HIS A 125 -5.601 -17.219 15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -4.876 -17.479 13.299 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -3.211 -17.593 13.833 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -6.511 -19.737 14.487 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -3.117 -22.273 14.516 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -5.651 -22.190 14.694 1.00 0.00 H new ATOM 1903 N HIS A 126 -2.977 -16.276 17.138 1.00 0.00 N ATOM 1904 CA HIS A 126 -1.921 -16.393 18.186 1.00 0.00 C ATOM 1905 C HIS A 126 -0.621 -17.063 17.634 1.00 0.00 C ATOM 1906 O HIS A 126 -0.667 -18.100 16.968 1.00 0.00 O ATOM 1907 CB HIS A 126 -2.443 -17.114 19.463 1.00 0.00 C ATOM 1908 CG HIS A 126 -1.412 -17.294 20.546 1.00 0.00 C ATOM 1909 ND1 HIS A 126 -0.687 -18.455 20.701 1.00 0.00 N ATOM 1910 CD2 HIS A 126 -0.970 -16.453 21.512 1.00 0.00 C ATOM 1911 CE1 HIS A 126 0.143 -18.326 21.708 1.00 0.00 C ATOM 1912 NE2 HIS A 126 -0.004 -17.123 22.219 1.00 0.00 N ATOM 0 H HIS A 126 -3.161 -15.309 16.869 1.00 0.00 H new ATOM 0 HA HIS A 126 -1.657 -15.377 18.480 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.281 -16.547 19.868 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -2.828 -18.093 19.180 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.314 -15.445 21.692 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.831 -19.081 22.059 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.516 -16.749 23.013 1.00 0.00 H new ATOM 1921 N HIS A 127 0.543 -16.463 17.951 1.00 0.00 N ATOM 1922 CA HIS A 127 1.850 -16.894 17.406 1.00 0.00 C ATOM 1923 C HIS A 127 2.487 -18.048 18.225 1.00 0.00 C ATOM 1924 O HIS A 127 2.694 -17.927 19.438 1.00 0.00 O ATOM 1925 CB HIS A 127 2.818 -15.687 17.344 1.00 0.00 C ATOM 1926 CG HIS A 127 2.334 -14.563 16.461 1.00 0.00 C ATOM 1927 ND1 HIS A 127 2.040 -13.302 16.932 1.00 0.00 N ATOM 1928 CD2 HIS A 127 2.101 -14.519 15.127 1.00 0.00 C ATOM 1929 CE1 HIS A 127 1.652 -12.537 15.933 1.00 0.00 C ATOM 1930 NE2 HIS A 127 1.681 -13.247 14.828 1.00 0.00 N ATOM 0 H HIS A 127 0.606 -15.669 18.589 1.00 0.00 H new ATOM 0 HA HIS A 127 1.671 -17.278 16.402 1.00 0.00 H new ATOM 0 HB2 HIS A 127 2.971 -15.304 18.353 1.00 0.00 H new ATOM 0 HB3 HIS A 127 3.788 -16.029 16.982 1.00 0.00 H new ATOM 0 HD2 HIS A 127 2.223 -15.334 14.429 1.00 0.00 H new ATOM 0 HE1 HIS A 127 1.359 -11.500 16.009 1.00 0.00 H new ATOM 0 HE2 HIS A 127 1.432 -12.908 13.899 1.00 0.00 H new ATOM 1939 N HIS A 128 2.780 -19.160 17.529 1.00 0.00 N ATOM 1940 CA HIS A 128 3.545 -20.306 18.063 1.00 0.00 C ATOM 1941 C HIS A 128 4.245 -21.033 16.887 1.00 0.00 C ATOM 1942 O HIS A 128 3.582 -21.714 16.095 1.00 0.00 O ATOM 1943 CB HIS A 128 2.625 -21.285 18.852 1.00 0.00 C ATOM 1944 CG HIS A 128 3.355 -22.487 19.405 1.00 0.00 C ATOM 1945 ND1 HIS A 128 3.455 -23.678 18.721 1.00 0.00 N ATOM 1946 CD2 HIS A 128 4.041 -22.673 20.561 1.00 0.00 C ATOM 1947 CE1 HIS A 128 4.165 -24.535 19.420 1.00 0.00 C ATOM 1948 NE2 HIS A 128 4.535 -23.954 20.538 1.00 0.00 N ATOM 0 H HIS A 128 2.487 -19.292 16.561 1.00 0.00 H new ATOM 0 HA HIS A 128 4.295 -19.938 18.764 1.00 0.00 H new ATOM 0 HB2 HIS A 128 2.155 -20.746 19.674 1.00 0.00 H new ATOM 0 HB3 HIS A 128 1.824 -21.627 18.196 1.00 0.00 H new ATOM 0 HD2 HIS A 128 4.174 -21.949 21.351 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.404 -25.546 19.125 1.00 0.00 H new ATOM 0 HE2 HIS A 128 5.098 -24.385 21.271 1.00 0.00 H new ATOM 1957 N HIS A 129 5.577 -20.874 16.768 1.00 0.00 N ATOM 1958 CA HIS A 129 6.365 -21.472 15.655 1.00 0.00 C ATOM 1959 C HIS A 129 7.519 -22.352 16.182 1.00 0.00 C ATOM 1960 O HIS A 129 8.066 -22.096 17.263 1.00 0.00 O ATOM 1961 CB HIS A 129 6.919 -20.364 14.719 1.00 0.00 C ATOM 1962 CG HIS A 129 7.956 -19.462 15.348 1.00 0.00 C ATOM 1963 ND1 HIS A 129 9.307 -19.750 15.340 1.00 0.00 N ATOM 1964 CD2 HIS A 129 7.838 -18.287 16.019 1.00 0.00 C ATOM 1965 CE1 HIS A 129 9.966 -18.800 15.969 1.00 0.00 C ATOM 1966 NE2 HIS A 129 9.101 -17.904 16.394 1.00 0.00 N ATOM 0 H HIS A 129 6.138 -20.336 17.428 1.00 0.00 H new ATOM 0 HA HIS A 129 5.691 -22.111 15.085 1.00 0.00 H new ATOM 0 HB2 HIS A 129 7.355 -20.836 13.839 1.00 0.00 H new ATOM 0 HB3 HIS A 129 6.087 -19.751 14.373 1.00 0.00 H new ATOM 0 HD2 HIS A 129 6.921 -17.753 16.220 1.00 0.00 H new ATOM 0 HE1 HIS A 129 11.036 -18.762 16.112 1.00 0.00 H new ATOM 0 HE2 HIS A 129 9.332 -17.060 16.918 1.00 0.00 H new ATOM 1975 N HIS A 130 7.892 -23.378 15.394 1.00 0.00 N ATOM 1976 CA HIS A 130 9.064 -24.237 15.704 1.00 0.00 C ATOM 1977 C HIS A 130 10.406 -23.494 15.370 1.00 0.00 C ATOM 1978 O HIS A 130 10.682 -23.225 14.182 1.00 0.00 O ATOM 1979 CB HIS A 130 8.959 -25.625 14.991 1.00 0.00 C ATOM 1980 CG HIS A 130 8.661 -25.584 13.516 1.00 0.00 C ATOM 1981 ND1 HIS A 130 9.618 -25.346 12.557 1.00 0.00 N ATOM 1982 CD2 HIS A 130 7.504 -25.762 12.841 1.00 0.00 C ATOM 1983 CE1 HIS A 130 9.069 -25.378 11.364 1.00 0.00 C ATOM 1984 NE2 HIS A 130 7.787 -25.633 11.507 1.00 0.00 N ATOM 1985 OXT HIS A 130 11.164 -23.171 16.310 1.00 0.00 O ATOM 0 H HIS A 130 7.403 -23.637 14.537 1.00 0.00 H new ATOM 0 HA HIS A 130 9.065 -24.437 16.775 1.00 0.00 H new ATOM 0 HB2 HIS A 130 9.898 -26.159 15.138 1.00 0.00 H new ATOM 0 HB3 HIS A 130 8.180 -26.207 15.484 1.00 0.00 H new ATOM 0 HD2 HIS A 130 6.536 -25.968 13.273 1.00 0.00 H new ATOM 0 HE1 HIS A 130 9.582 -25.222 10.427 1.00 0.00 H new ATOM 0 HE2 HIS A 130 7.112 -25.721 10.747 1.00 0.00 H new TER 1994 HIS A 130