USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 772 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 63 GLN : amide:sc= -4.69! C(o=-4.6!,f=-6.3!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.131 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= -0.0645 USER MOD Set 2.2: A 69 THR OG1 : rot 62:sc= 0.0962! USER MOD Set 3.1: A 56 SER OG : rot 101:sc= 1.04 USER MOD Set 3.2: A 100 TYR OH : rot 155:sc= -1.52! USER MOD Single : A 17 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.9!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 163:sc= -1.87! USER MOD Single : A 33 ASN : amide:sc= -3.63! C(o=-3.6!,f=-7.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.375 USER MOD Single : A 37 ASN : amide:sc= -2.85! C(o=-2.8!,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -61:sc= 0.799 USER MOD Single : A 42 SER OG : rot 172:sc= -0.829 USER MOD Single : A 49 SER OG : rot 72:sc= 0.674 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 165:sc= -0.102 USER MOD Single : A 70 THR OG1 : rot 180:sc= -3.69! USER MOD Single : A 84 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-14!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 151:sc= 0.857 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -147:sc= -2.03! USER MOD Single : A 106 ASN : amide:sc= -0.0776 K(o=-0.078,f=-2.1!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 46:sc= 0.226 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -8.463 10.642 14.062 1.00 0.00 N ATOM 18 CA PRO A 11 -7.852 9.307 13.793 1.00 0.00 C ATOM 19 C PRO A 11 -6.668 9.062 14.731 1.00 0.00 C ATOM 20 O PRO A 11 -6.109 9.983 15.295 1.00 0.00 O ATOM 21 CB PRO A 11 -7.387 9.428 12.349 1.00 0.00 C ATOM 22 CG PRO A 11 -7.193 10.914 12.063 1.00 0.00 C ATOM 23 CD PRO A 11 -7.980 11.699 13.119 1.00 0.00 C ATOM 0 HA PRO A 11 -8.537 8.474 13.952 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.456 8.882 12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.123 8.998 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.136 11.176 12.101 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.546 11.160 11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.350 12.430 13.626 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.810 12.248 12.674 1.00 0.00 H new ATOM 31 N VAL A 12 -6.278 7.829 14.901 1.00 0.00 N ATOM 32 CA VAL A 12 -5.141 7.520 15.787 1.00 0.00 C ATOM 33 C VAL A 12 -4.023 6.965 14.913 1.00 0.00 C ATOM 34 O VAL A 12 -4.291 6.365 13.901 1.00 0.00 O ATOM 35 CB VAL A 12 -5.598 6.448 16.781 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.390 5.909 17.534 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.619 7.019 17.780 1.00 0.00 C ATOM 0 H VAL A 12 -6.709 7.019 14.455 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.795 8.400 16.329 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.079 5.643 16.225 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.713 5.146 18.242 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.685 5.472 16.826 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.905 6.722 18.074 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.926 6.236 18.474 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.165 7.839 18.336 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.491 7.387 17.239 1.00 0.00 H new ATOM 47 N PRO A 13 -2.805 7.183 15.309 1.00 0.00 N ATOM 48 CA PRO A 13 -1.621 6.702 14.556 1.00 0.00 C ATOM 49 C PRO A 13 -1.245 5.287 14.989 1.00 0.00 C ATOM 50 O PRO A 13 -1.515 4.865 16.096 1.00 0.00 O ATOM 51 CB PRO A 13 -0.545 7.703 14.950 1.00 0.00 C ATOM 52 CG PRO A 13 -0.955 8.291 16.302 1.00 0.00 C ATOM 53 CD PRO A 13 -2.431 7.943 16.540 1.00 0.00 C ATOM 0 HA PRO A 13 -1.780 6.645 13.479 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.428 7.216 15.020 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.455 8.488 14.199 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.334 7.884 17.099 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.812 9.372 16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.563 7.342 17.440 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.041 8.838 16.662 1.00 0.00 H new ATOM 61 N VAL A 14 -0.624 4.552 14.112 1.00 0.00 N ATOM 62 CA VAL A 14 -0.225 3.160 14.447 1.00 0.00 C ATOM 63 C VAL A 14 0.896 3.180 15.483 1.00 0.00 C ATOM 64 O VAL A 14 1.530 4.190 15.714 1.00 0.00 O ATOM 65 CB VAL A 14 0.271 2.464 13.170 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.639 3.028 12.776 1.00 0.00 C ATOM 67 CG2 VAL A 14 0.394 0.964 13.421 1.00 0.00 C ATOM 0 H VAL A 14 -0.374 4.858 13.172 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.080 2.622 14.856 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.441 2.641 12.363 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.989 2.533 11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.552 4.099 12.594 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.351 2.854 13.583 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.746 0.471 12.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.104 0.787 14.229 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.580 0.561 13.699 1.00 0.00 H new ATOM 77 N ASP A 15 1.140 2.064 16.110 1.00 0.00 N ATOM 78 CA ASP A 15 2.221 2.004 17.137 1.00 0.00 C ATOM 79 C ASP A 15 2.457 0.554 17.558 1.00 0.00 C ATOM 80 O ASP A 15 1.735 -0.344 17.175 1.00 0.00 O ATOM 81 CB ASP A 15 1.830 2.829 18.375 1.00 0.00 C ATOM 82 CG ASP A 15 0.386 3.329 18.255 1.00 0.00 C ATOM 83 OD1 ASP A 15 -0.508 2.593 18.637 1.00 0.00 O ATOM 84 OD2 ASP A 15 0.202 4.439 17.783 1.00 0.00 O ATOM 0 H ASP A 15 0.638 1.189 15.957 1.00 0.00 H new ATOM 0 HA ASP A 15 3.132 2.416 16.703 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.937 2.220 19.273 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.507 3.677 18.482 1.00 0.00 H new ATOM 89 N GLU A 16 3.466 0.328 18.352 1.00 0.00 N ATOM 90 CA GLU A 16 3.764 -1.058 18.817 1.00 0.00 C ATOM 91 C GLU A 16 4.146 -1.944 17.625 1.00 0.00 C ATOM 92 O GLU A 16 3.570 -2.991 17.409 1.00 0.00 O ATOM 93 CB GLU A 16 2.526 -1.640 19.502 1.00 0.00 C ATOM 94 CG GLU A 16 2.840 -1.911 20.976 1.00 0.00 C ATOM 95 CD GLU A 16 2.659 -0.625 21.781 1.00 0.00 C ATOM 96 OE1 GLU A 16 2.129 0.327 21.230 1.00 0.00 O ATOM 97 OE2 GLU A 16 3.052 -0.612 22.936 1.00 0.00 O ATOM 0 H GLU A 16 4.101 1.046 18.701 1.00 0.00 H new ATOM 0 HA GLU A 16 4.597 -1.026 19.520 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.690 -0.945 19.419 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.223 -2.563 19.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.182 -2.690 21.362 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.862 -2.277 21.080 1.00 0.00 H new ATOM 104 N ASN A 17 5.120 -1.539 16.850 1.00 0.00 N ATOM 105 CA ASN A 17 5.537 -2.365 15.680 1.00 0.00 C ATOM 106 C ASN A 17 4.507 -2.237 14.554 1.00 0.00 C ATOM 107 O ASN A 17 4.674 -2.793 13.486 1.00 0.00 O ATOM 108 CB ASN A 17 5.645 -3.831 16.105 1.00 0.00 C ATOM 109 CG ASN A 17 7.042 -4.358 15.771 1.00 0.00 C ATOM 110 OD1 ASN A 17 7.702 -3.846 14.889 1.00 0.00 O ATOM 111 ND2 ASN A 17 7.523 -5.368 16.443 1.00 0.00 N ATOM 0 H ASN A 17 5.643 -0.673 16.978 1.00 0.00 H new ATOM 0 HA ASN A 17 6.504 -2.013 15.321 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.455 -3.926 17.174 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.888 -4.426 15.593 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.453 -5.727 16.228 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.969 -5.798 17.184 1.00 0.00 H new ATOM 118 N ASP A 18 3.448 -1.507 14.783 1.00 0.00 N ATOM 119 CA ASP A 18 2.404 -1.337 13.730 1.00 0.00 C ATOM 120 C ASP A 18 2.173 -2.659 13.002 1.00 0.00 C ATOM 121 O ASP A 18 2.569 -2.836 11.867 1.00 0.00 O ATOM 122 CB ASP A 18 2.853 -0.271 12.728 1.00 0.00 C ATOM 123 CG ASP A 18 4.306 -0.529 12.324 1.00 0.00 C ATOM 124 OD1 ASP A 18 4.529 -1.436 11.539 1.00 0.00 O ATOM 125 OD2 ASP A 18 5.170 0.184 12.808 1.00 0.00 O ATOM 0 H ASP A 18 3.260 -1.019 15.659 1.00 0.00 H new ATOM 0 HA ASP A 18 1.473 -1.024 14.202 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.211 -0.291 11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.758 0.721 13.169 1.00 0.00 H new ATOM 130 N GLU A 19 1.524 -3.586 13.646 1.00 0.00 N ATOM 131 CA GLU A 19 1.254 -4.895 12.992 1.00 0.00 C ATOM 132 C GLU A 19 -0.009 -4.780 12.136 1.00 0.00 C ATOM 133 O GLU A 19 -0.034 -5.199 10.997 1.00 0.00 O ATOM 134 CB GLU A 19 1.066 -5.981 14.058 1.00 0.00 C ATOM 135 CG GLU A 19 -0.267 -5.763 14.776 1.00 0.00 C ATOM 136 CD GLU A 19 -0.400 -6.770 15.922 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.672 -7.925 15.640 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.228 -6.368 17.060 1.00 0.00 O ATOM 0 H GLU A 19 1.168 -3.494 14.598 1.00 0.00 H new ATOM 0 HA GLU A 19 2.098 -5.167 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.085 -6.968 13.595 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.887 -5.949 14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.321 -4.746 15.163 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.093 -5.882 14.075 1.00 0.00 H new ATOM 145 N GLY A 20 -1.057 -4.207 12.667 1.00 0.00 N ATOM 146 CA GLY A 20 -2.303 -4.061 11.867 1.00 0.00 C ATOM 147 C GLY A 20 -2.039 -3.118 10.691 1.00 0.00 C ATOM 148 O GLY A 20 -2.517 -3.328 9.592 1.00 0.00 O ATOM 0 H GLY A 20 -1.102 -3.836 13.616 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.631 -5.034 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.106 -3.668 12.491 1.00 0.00 H new ATOM 152 N LEU A 21 -1.279 -2.077 10.911 1.00 0.00 N ATOM 153 CA LEU A 21 -0.981 -1.122 9.809 1.00 0.00 C ATOM 154 C LEU A 21 -0.036 -1.777 8.801 1.00 0.00 C ATOM 155 O LEU A 21 -0.138 -1.552 7.614 1.00 0.00 O ATOM 156 CB LEU A 21 -0.324 0.132 10.383 1.00 0.00 C ATOM 157 CG LEU A 21 -0.257 1.212 9.303 1.00 0.00 C ATOM 158 CD1 LEU A 21 -1.487 2.116 9.408 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.010 2.049 9.493 1.00 0.00 C ATOM 0 H LEU A 21 -0.852 -1.849 11.809 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.910 -0.849 9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.893 0.494 11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.678 -0.101 10.742 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.235 0.741 8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.439 2.886 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.389 1.520 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.510 2.587 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.057 2.819 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.991 2.520 10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.886 1.405 9.416 1.00 0.00 H new ATOM 171 N GLN A 22 0.886 -2.587 9.254 1.00 0.00 N ATOM 172 CA GLN A 22 1.818 -3.243 8.294 1.00 0.00 C ATOM 173 C GLN A 22 1.022 -4.171 7.383 1.00 0.00 C ATOM 174 O GLN A 22 1.173 -4.157 6.179 1.00 0.00 O ATOM 175 CB GLN A 22 2.880 -4.037 9.051 1.00 0.00 C ATOM 176 CG GLN A 22 3.905 -3.071 9.653 1.00 0.00 C ATOM 177 CD GLN A 22 5.148 -3.026 8.763 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.041 -2.955 7.555 1.00 0.00 O ATOM 179 NE2 GLN A 22 6.331 -3.064 9.312 1.00 0.00 N ATOM 0 H GLN A 22 1.032 -2.820 10.236 1.00 0.00 H new ATOM 0 HA GLN A 22 2.318 -2.482 7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.414 -4.628 9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.375 -4.737 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.473 -2.074 9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.176 -3.392 10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.421 -3.124 10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.166 -3.034 8.727 1.00 0.00 H new ATOM 188 N ARG A 23 0.157 -4.961 7.947 1.00 0.00 N ATOM 189 CA ARG A 23 -0.670 -5.867 7.108 1.00 0.00 C ATOM 190 C ARG A 23 -1.568 -5.002 6.225 1.00 0.00 C ATOM 191 O ARG A 23 -2.080 -5.439 5.211 1.00 0.00 O ATOM 192 CB ARG A 23 -1.534 -6.755 8.006 1.00 0.00 C ATOM 193 CG ARG A 23 -0.934 -8.162 8.065 1.00 0.00 C ATOM 194 CD ARG A 23 -1.866 -9.080 8.856 1.00 0.00 C ATOM 195 NE ARG A 23 -1.241 -10.426 8.992 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.298 -11.276 8.003 1.00 0.00 C ATOM 197 NH1 ARG A 23 -2.403 -11.932 7.770 1.00 0.00 N ATOM 198 NH2 ARG A 23 -0.252 -11.469 7.247 1.00 0.00 N ATOM 0 H ARG A 23 -0.014 -5.019 8.951 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.033 -6.504 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.591 -6.330 9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.552 -6.799 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.792 -8.551 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.049 -8.131 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.061 -8.657 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.828 -9.163 8.349 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.768 -10.683 9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.221 -11.780 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.448 -12.596 6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.610 -10.956 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.297 -12.133 6.474 1.00 0.00 H new ATOM 212 N ALA A 24 -1.754 -3.768 6.611 1.00 0.00 N ATOM 213 CA ALA A 24 -2.609 -2.848 5.813 1.00 0.00 C ATOM 214 C ALA A 24 -1.873 -2.452 4.534 1.00 0.00 C ATOM 215 O ALA A 24 -2.372 -2.621 3.434 1.00 0.00 O ATOM 216 CB ALA A 24 -2.910 -1.593 6.636 1.00 0.00 C ATOM 0 H ALA A 24 -1.347 -3.357 7.451 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.543 -3.348 5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.536 -0.917 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.432 -1.874 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.976 -1.092 6.891 1.00 0.00 H new ATOM 222 N LEU A 25 -0.687 -1.927 4.669 1.00 0.00 N ATOM 223 CA LEU A 25 0.084 -1.521 3.481 1.00 0.00 C ATOM 224 C LEU A 25 0.337 -2.732 2.596 1.00 0.00 C ATOM 225 O LEU A 25 0.263 -2.661 1.395 1.00 0.00 O ATOM 226 CB LEU A 25 1.401 -0.941 3.968 1.00 0.00 C ATOM 227 CG LEU A 25 2.318 -0.658 2.778 1.00 0.00 C ATOM 228 CD1 LEU A 25 3.059 0.660 3.008 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.331 -1.795 2.634 1.00 0.00 C ATOM 0 H LEU A 25 -0.223 -1.764 5.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.463 -0.781 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.219 -0.022 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.884 -1.638 4.653 1.00 0.00 H new ATOM 0 HG LEU A 25 1.722 -0.585 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.713 0.862 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.337 1.470 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.656 0.588 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.985 -1.594 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.928 -1.868 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.803 -2.734 2.470 1.00 0.00 H new ATOM 241 N GLN A 26 0.637 -3.846 3.177 1.00 0.00 N ATOM 242 CA GLN A 26 0.894 -5.054 2.348 1.00 0.00 C ATOM 243 C GLN A 26 -0.392 -5.488 1.639 1.00 0.00 C ATOM 244 O GLN A 26 -0.356 -6.154 0.623 1.00 0.00 O ATOM 245 CB GLN A 26 1.402 -6.193 3.236 1.00 0.00 C ATOM 246 CG GLN A 26 1.790 -7.388 2.361 1.00 0.00 C ATOM 247 CD GLN A 26 1.124 -8.654 2.901 1.00 0.00 C ATOM 248 OE1 GLN A 26 -0.024 -8.923 2.608 1.00 0.00 O ATOM 249 NE2 GLN A 26 1.802 -9.450 3.683 1.00 0.00 N ATOM 0 H GLN A 26 0.717 -3.980 4.185 1.00 0.00 H new ATOM 0 HA GLN A 26 1.650 -4.815 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.262 -5.860 3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.630 -6.485 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.481 -7.213 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.873 -7.510 2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.766 -9.224 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.368 -10.298 4.048 1.00 0.00 H new ATOM 258 N PHE A 27 -1.527 -5.115 2.160 1.00 0.00 N ATOM 259 CA PHE A 27 -2.813 -5.504 1.513 1.00 0.00 C ATOM 260 C PHE A 27 -3.025 -4.683 0.246 1.00 0.00 C ATOM 261 O PHE A 27 -3.183 -5.207 -0.846 1.00 0.00 O ATOM 262 CB PHE A 27 -3.936 -5.206 2.489 1.00 0.00 C ATOM 263 CG PHE A 27 -5.229 -5.851 2.063 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.340 -6.477 0.817 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.334 -5.807 2.924 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.554 -7.056 0.432 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.543 -6.387 2.543 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.656 -7.011 1.296 1.00 0.00 C ATOM 0 H PHE A 27 -1.621 -4.556 3.008 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.795 -6.562 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.660 -5.563 3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.075 -4.128 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.489 -6.513 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.249 -5.322 3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.642 -7.537 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.392 -6.355 3.210 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.593 -7.458 0.999 1.00 0.00 H new ATOM 278 N ALA A 28 -3.023 -3.398 0.388 1.00 0.00 N ATOM 279 CA ALA A 28 -3.230 -2.515 -0.792 1.00 0.00 C ATOM 280 C ALA A 28 -1.983 -2.521 -1.669 1.00 0.00 C ATOM 281 O ALA A 28 -2.052 -2.784 -2.850 1.00 0.00 O ATOM 282 CB ALA A 28 -3.513 -1.100 -0.314 1.00 0.00 C ATOM 0 H ALA A 28 -2.886 -2.912 1.274 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.075 -2.881 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.665 -0.449 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.410 -1.098 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.667 -0.737 0.270 1.00 0.00 H new ATOM 288 N ILE A 29 -0.843 -2.230 -1.110 1.00 0.00 N ATOM 289 CA ILE A 29 0.398 -2.228 -1.933 1.00 0.00 C ATOM 290 C ILE A 29 0.455 -3.541 -2.703 1.00 0.00 C ATOM 291 O ILE A 29 0.784 -3.587 -3.871 1.00 0.00 O ATOM 292 CB ILE A 29 1.637 -2.071 -1.017 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.625 -1.085 -1.623 1.00 0.00 C ATOM 294 CG2 ILE A 29 2.359 -3.396 -0.835 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.854 0.062 -2.224 1.00 0.00 C ATOM 0 H ILE A 29 -0.716 -1.995 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 29 0.394 -1.393 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 29 1.278 -1.711 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.312 -0.720 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.229 -1.576 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.224 -3.253 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.682 -4.120 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.690 -3.766 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.549 0.778 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.185 -0.315 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.269 0.554 -1.447 1.00 0.00 H new ATOM 307 N ALA A 30 0.120 -4.607 -2.046 1.00 0.00 N ATOM 308 CA ALA A 30 0.117 -5.923 -2.726 1.00 0.00 C ATOM 309 C ALA A 30 -0.733 -5.772 -3.980 1.00 0.00 C ATOM 310 O ALA A 30 -0.372 -6.194 -5.067 1.00 0.00 O ATOM 311 CB ALA A 30 -0.515 -6.974 -1.806 1.00 0.00 C ATOM 0 H ALA A 30 -0.153 -4.624 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 30 1.131 -6.239 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.517 -7.942 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.061 -7.044 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.540 -6.684 -1.573 1.00 0.00 H new ATOM 317 N GLU A 31 -1.870 -5.153 -3.821 1.00 0.00 N ATOM 318 CA GLU A 31 -2.774 -4.947 -4.977 1.00 0.00 C ATOM 319 C GLU A 31 -2.170 -3.957 -5.973 1.00 0.00 C ATOM 320 O GLU A 31 -2.492 -3.992 -7.144 1.00 0.00 O ATOM 321 CB GLU A 31 -4.123 -4.419 -4.488 1.00 0.00 C ATOM 322 CG GLU A 31 -4.694 -5.376 -3.439 1.00 0.00 C ATOM 323 CD GLU A 31 -6.118 -5.774 -3.833 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.361 -5.934 -5.018 1.00 0.00 O ATOM 325 OE2 GLU A 31 -6.941 -5.914 -2.943 1.00 0.00 O ATOM 0 H GLU A 31 -2.210 -4.781 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.912 -5.904 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.003 -3.423 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.814 -4.325 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.066 -6.263 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.696 -4.899 -2.459 1.00 0.00 H new ATOM 332 N TYR A 32 -1.298 -3.074 -5.556 1.00 0.00 N ATOM 333 CA TYR A 32 -0.727 -2.137 -6.542 1.00 0.00 C ATOM 334 C TYR A 32 0.201 -2.911 -7.469 1.00 0.00 C ATOM 335 O TYR A 32 0.195 -2.732 -8.671 1.00 0.00 O ATOM 336 CB TYR A 32 0.055 -1.061 -5.822 1.00 0.00 C ATOM 337 CG TYR A 32 -0.191 0.262 -6.502 1.00 0.00 C ATOM 338 CD1 TYR A 32 0.021 0.411 -7.878 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.642 1.344 -5.747 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.218 1.640 -8.485 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.880 2.569 -6.351 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.668 2.724 -7.724 1.00 0.00 C ATOM 343 OH TYR A 32 -0.904 3.944 -8.328 1.00 0.00 O ATOM 0 H TYR A 32 -0.969 -2.969 -4.596 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.525 -1.671 -7.120 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.250 -1.010 -4.777 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.119 -1.298 -5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.369 -0.425 -8.466 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.807 1.227 -4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.056 1.757 -9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.229 3.403 -5.761 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.458 4.499 -7.740 1.00 0.00 H new ATOM 353 N ASN A 33 1.002 -3.775 -6.911 1.00 0.00 N ATOM 354 CA ASN A 33 1.939 -4.570 -7.744 1.00 0.00 C ATOM 355 C ASN A 33 1.149 -5.448 -8.722 1.00 0.00 C ATOM 356 O ASN A 33 1.439 -5.484 -9.902 1.00 0.00 O ATOM 357 CB ASN A 33 2.800 -5.457 -6.841 1.00 0.00 C ATOM 358 CG ASN A 33 3.608 -6.436 -7.699 1.00 0.00 C ATOM 359 OD1 ASN A 33 3.519 -6.415 -8.911 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.396 -7.296 -7.118 1.00 0.00 N ATOM 0 H ASN A 33 1.046 -3.964 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 33 2.581 -3.893 -8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.472 -4.841 -6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.167 -6.006 -6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.938 -7.952 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.470 -7.313 -6.101 1.00 0.00 H new ATOM 367 N ARG A 34 0.160 -6.161 -8.249 1.00 0.00 N ATOM 368 CA ARG A 34 -0.626 -7.032 -9.171 1.00 0.00 C ATOM 369 C ARG A 34 -1.566 -6.173 -10.027 1.00 0.00 C ATOM 370 O ARG A 34 -2.125 -6.633 -11.003 1.00 0.00 O ATOM 371 CB ARG A 34 -1.442 -8.038 -8.351 1.00 0.00 C ATOM 372 CG ARG A 34 -2.131 -9.031 -9.292 1.00 0.00 C ATOM 373 CD ARG A 34 -3.505 -9.397 -8.728 1.00 0.00 C ATOM 374 NE ARG A 34 -3.420 -10.710 -8.026 1.00 0.00 N ATOM 375 CZ ARG A 34 -4.495 -11.251 -7.526 1.00 0.00 C ATOM 376 NH1 ARG A 34 -5.653 -11.047 -8.092 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.414 -11.997 -6.459 1.00 0.00 N ATOM 0 H ARG A 34 -0.135 -6.178 -7.273 1.00 0.00 H new ATOM 0 HA ARG A 34 0.057 -7.570 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.791 -8.571 -7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.186 -7.514 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.238 -8.594 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.521 -9.927 -9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.844 -8.625 -8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.238 -9.450 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.521 -11.184 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.717 -10.464 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.494 -11.471 -7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.509 -12.157 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.255 -12.420 -6.068 1.00 0.00 H new ATOM 391 N ALA A 35 -1.756 -4.936 -9.661 1.00 0.00 N ATOM 392 CA ALA A 35 -2.677 -4.058 -10.445 1.00 0.00 C ATOM 393 C ALA A 35 -1.927 -3.317 -11.563 1.00 0.00 C ATOM 394 O ALA A 35 -2.535 -2.759 -12.454 1.00 0.00 O ATOM 395 CB ALA A 35 -3.320 -3.035 -9.507 1.00 0.00 C ATOM 0 H ALA A 35 -1.315 -4.493 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.440 -4.687 -10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.993 -2.393 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.883 -3.555 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.543 -2.427 -9.044 1.00 0.00 H new ATOM 401 N SER A 36 -0.624 -3.292 -11.526 1.00 0.00 N ATOM 402 CA SER A 36 0.132 -2.568 -12.594 1.00 0.00 C ATOM 403 C SER A 36 0.101 -3.376 -13.892 1.00 0.00 C ATOM 404 O SER A 36 -0.461 -2.955 -14.883 1.00 0.00 O ATOM 405 CB SER A 36 1.583 -2.373 -12.151 1.00 0.00 C ATOM 406 OG SER A 36 2.382 -2.052 -13.280 1.00 0.00 O ATOM 0 H SER A 36 -0.050 -3.737 -10.809 1.00 0.00 H new ATOM 0 HA SER A 36 -0.332 -1.597 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.644 -1.576 -11.410 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.955 -3.280 -11.675 1.00 0.00 H new ATOM 0 HG SER A 36 3.312 -1.925 -12.997 1.00 0.00 H new ATOM 412 N ASN A 37 0.705 -4.536 -13.894 1.00 0.00 N ATOM 413 CA ASN A 37 0.718 -5.379 -15.126 1.00 0.00 C ATOM 414 C ASN A 37 1.787 -4.870 -16.096 1.00 0.00 C ATOM 415 O ASN A 37 2.071 -5.493 -17.099 1.00 0.00 O ATOM 416 CB ASN A 37 -0.654 -5.328 -15.804 1.00 0.00 C ATOM 417 CG ASN A 37 -1.753 -5.307 -14.740 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.503 -4.356 -14.643 1.00 0.00 O ATOM 419 ND2 ASN A 37 -1.880 -6.323 -13.931 1.00 0.00 N ATOM 0 H ASN A 37 1.192 -4.937 -13.092 1.00 0.00 H new ATOM 0 HA ASN A 37 0.946 -6.408 -14.848 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.727 -4.441 -16.434 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.781 -6.193 -16.455 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.609 -6.319 -13.217 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.250 -7.121 -14.012 1.00 0.00 H new ATOM 426 N ASP A 38 2.392 -3.750 -15.807 1.00 0.00 N ATOM 427 CA ASP A 38 3.441 -3.215 -16.703 1.00 0.00 C ATOM 428 C ASP A 38 4.554 -4.256 -16.853 1.00 0.00 C ATOM 429 O ASP A 38 4.410 -5.227 -17.568 1.00 0.00 O ATOM 430 CB ASP A 38 3.976 -1.943 -16.064 1.00 0.00 C ATOM 431 CG ASP A 38 5.187 -1.434 -16.850 1.00 0.00 C ATOM 432 OD1 ASP A 38 5.033 -1.171 -18.032 1.00 0.00 O ATOM 433 OD2 ASP A 38 6.246 -1.318 -16.257 1.00 0.00 O ATOM 0 H ASP A 38 2.199 -3.183 -14.981 1.00 0.00 H new ATOM 0 HA ASP A 38 3.046 -2.996 -17.695 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.198 -1.180 -16.045 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.258 -2.137 -15.029 1.00 0.00 H new ATOM 438 N LYS A 39 5.649 -4.085 -16.165 1.00 0.00 N ATOM 439 CA LYS A 39 6.740 -5.085 -16.253 1.00 0.00 C ATOM 440 C LYS A 39 6.517 -6.110 -15.174 1.00 0.00 C ATOM 441 O LYS A 39 5.872 -7.114 -15.405 1.00 0.00 O ATOM 442 CB LYS A 39 8.086 -4.409 -16.082 1.00 0.00 C ATOM 443 CG LYS A 39 8.445 -3.572 -17.337 1.00 0.00 C ATOM 444 CD LYS A 39 7.613 -3.989 -18.559 1.00 0.00 C ATOM 445 CE LYS A 39 8.116 -3.248 -19.799 1.00 0.00 C ATOM 446 NZ LYS A 39 7.922 -4.103 -21.003 1.00 0.00 N ATOM 0 H LYS A 39 5.832 -3.295 -15.547 1.00 0.00 H new ATOM 0 HA LYS A 39 6.736 -5.568 -17.230 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.065 -3.765 -15.203 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.856 -5.161 -15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.279 -2.515 -17.128 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.505 -3.690 -17.562 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.687 -5.066 -18.712 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.560 -3.762 -18.389 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.577 -2.308 -19.917 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.171 -2.999 -19.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.264 -3.599 -21.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.455 -4.989 -20.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.911 -4.319 -21.116 1.00 0.00 H new ATOM 460 N TYR A 40 7.006 -5.899 -13.994 1.00 0.00 N ATOM 461 CA TYR A 40 6.741 -6.919 -12.985 1.00 0.00 C ATOM 462 C TYR A 40 6.323 -6.352 -11.634 1.00 0.00 C ATOM 463 O TYR A 40 6.034 -7.111 -10.730 1.00 0.00 O ATOM 464 CB TYR A 40 7.929 -7.854 -12.801 1.00 0.00 C ATOM 465 CG TYR A 40 9.197 -7.101 -12.539 1.00 0.00 C ATOM 466 CD1 TYR A 40 9.181 -5.734 -12.261 1.00 0.00 C ATOM 467 CD2 TYR A 40 10.403 -7.796 -12.551 1.00 0.00 C ATOM 468 CE1 TYR A 40 10.373 -5.076 -11.989 1.00 0.00 C ATOM 469 CE2 TYR A 40 11.595 -7.130 -12.292 1.00 0.00 C ATOM 470 CZ TYR A 40 11.579 -5.765 -12.005 1.00 0.00 C ATOM 471 OH TYR A 40 12.748 -5.096 -11.714 1.00 0.00 O ATOM 0 H TYR A 40 7.557 -5.093 -13.700 1.00 0.00 H new ATOM 0 HA TYR A 40 5.893 -7.483 -13.375 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.732 -8.533 -11.971 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.049 -8.468 -13.693 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.247 -5.191 -12.257 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.412 -8.855 -12.762 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.362 -4.020 -11.763 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.531 -7.668 -12.313 1.00 0.00 H new ATOM 0 HH TYR A 40 12.885 -4.378 -12.366 1.00 0.00 H new ATOM 481 N SER A 41 6.248 -5.065 -11.441 1.00 0.00 N ATOM 482 CA SER A 41 5.794 -4.640 -10.071 1.00 0.00 C ATOM 483 C SER A 41 5.657 -3.125 -9.869 1.00 0.00 C ATOM 484 O SER A 41 6.299 -2.322 -10.509 1.00 0.00 O ATOM 485 CB SER A 41 6.786 -5.190 -9.041 1.00 0.00 C ATOM 486 OG SER A 41 6.944 -4.257 -7.981 1.00 0.00 O ATOM 0 H SER A 41 6.462 -4.328 -12.113 1.00 0.00 H new ATOM 0 HA SER A 41 4.789 -5.044 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.428 -6.142 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.748 -5.382 -9.515 1.00 0.00 H new ATOM 0 HG SER A 41 7.578 -4.613 -7.324 1.00 0.00 H new ATOM 492 N SER A 42 4.831 -2.765 -8.906 1.00 0.00 N ATOM 493 CA SER A 42 4.625 -1.334 -8.527 1.00 0.00 C ATOM 494 C SER A 42 5.255 -1.155 -7.145 1.00 0.00 C ATOM 495 O SER A 42 4.775 -1.702 -6.172 1.00 0.00 O ATOM 496 CB SER A 42 3.127 -1.011 -8.431 1.00 0.00 C ATOM 497 OG SER A 42 2.402 -1.839 -9.328 1.00 0.00 O ATOM 0 H SER A 42 4.280 -3.425 -8.357 1.00 0.00 H new ATOM 0 HA SER A 42 5.070 -0.675 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.776 -1.168 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.955 0.039 -8.670 1.00 0.00 H new ATOM 0 HG SER A 42 1.441 -1.723 -9.176 1.00 0.00 H new ATOM 503 N ARG A 43 6.337 -0.439 -7.036 1.00 0.00 N ATOM 504 CA ARG A 43 6.977 -0.304 -5.692 1.00 0.00 C ATOM 505 C ARG A 43 6.607 1.014 -5.028 1.00 0.00 C ATOM 506 O ARG A 43 5.641 1.656 -5.375 1.00 0.00 O ATOM 507 CB ARG A 43 8.496 -0.396 -5.837 1.00 0.00 C ATOM 508 CG ARG A 43 9.005 -1.635 -5.098 1.00 0.00 C ATOM 509 CD ARG A 43 9.976 -1.211 -3.994 1.00 0.00 C ATOM 510 NE ARG A 43 10.510 -2.421 -3.310 1.00 0.00 N ATOM 511 CZ ARG A 43 10.252 -2.625 -2.049 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.615 -1.745 -1.157 1.00 0.00 N ATOM 513 NH2 ARG A 43 9.629 -3.711 -1.677 1.00 0.00 N ATOM 0 H ARG A 43 6.802 0.051 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 43 6.612 -1.114 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.769 -0.450 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.966 0.500 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.167 -2.184 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.503 -2.308 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.794 -0.629 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.468 -0.568 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 43 11.078 -3.091 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.101 -0.896 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.413 -1.906 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.344 -4.400 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.427 -3.870 -0.690 1.00 0.00 H new ATOM 527 N VAL A 44 7.364 1.379 -4.035 1.00 0.00 N ATOM 528 CA VAL A 44 7.078 2.621 -3.264 1.00 0.00 C ATOM 529 C VAL A 44 7.853 3.826 -3.826 1.00 0.00 C ATOM 530 O VAL A 44 8.597 3.712 -4.780 1.00 0.00 O ATOM 531 CB VAL A 44 7.424 2.330 -1.800 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.530 3.256 -1.277 1.00 0.00 C ATOM 533 CG2 VAL A 44 6.161 2.485 -0.953 1.00 0.00 C ATOM 0 H VAL A 44 8.184 0.861 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 44 6.026 2.896 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 44 7.802 1.310 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.744 3.015 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.432 3.119 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.201 4.293 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.396 2.280 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.783 3.503 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.403 1.783 -1.299 1.00 0.00 H new ATOM 543 N VAL A 45 7.662 4.989 -3.243 1.00 0.00 N ATOM 544 CA VAL A 45 8.357 6.208 -3.738 1.00 0.00 C ATOM 545 C VAL A 45 8.452 7.245 -2.578 1.00 0.00 C ATOM 546 O VAL A 45 9.487 7.379 -1.956 1.00 0.00 O ATOM 547 CB VAL A 45 7.575 6.767 -4.937 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.521 7.107 -6.049 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.656 5.730 -5.550 1.00 0.00 C ATOM 0 H VAL A 45 7.050 5.139 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 45 9.370 5.976 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 45 7.019 7.623 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.960 7.503 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.234 7.856 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.058 6.210 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.124 6.169 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.245 4.880 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.937 5.394 -4.803 1.00 0.00 H new ATOM 559 N ARG A 46 7.377 7.949 -2.250 1.00 0.00 N ATOM 560 CA ARG A 46 7.411 8.931 -1.095 1.00 0.00 C ATOM 561 C ARG A 46 6.119 8.788 -0.239 1.00 0.00 C ATOM 562 O ARG A 46 5.096 9.367 -0.551 1.00 0.00 O ATOM 563 CB ARG A 46 7.499 10.357 -1.644 1.00 0.00 C ATOM 564 CG ARG A 46 7.445 11.354 -0.487 1.00 0.00 C ATOM 565 CD ARG A 46 8.594 12.356 -0.622 1.00 0.00 C ATOM 566 NE ARG A 46 8.735 13.123 0.648 1.00 0.00 N ATOM 567 CZ ARG A 46 9.483 14.190 0.684 1.00 0.00 C ATOM 568 NH1 ARG A 46 10.625 14.210 0.052 1.00 0.00 N ATOM 569 NH2 ARG A 46 9.091 15.241 1.354 1.00 0.00 N ATOM 0 H ARG A 46 6.480 7.886 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 46 8.280 8.721 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.424 10.485 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.678 10.543 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.489 11.878 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.518 10.827 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.523 11.832 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.402 13.037 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 46 8.247 12.813 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.933 13.390 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.209 15.046 0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.199 15.227 1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.677 16.076 1.382 1.00 0.00 H new ATOM 583 N VAL A 47 6.150 7.994 0.816 1.00 0.00 N ATOM 584 CA VAL A 47 4.926 7.763 1.680 1.00 0.00 C ATOM 585 C VAL A 47 4.402 9.084 2.247 1.00 0.00 C ATOM 586 O VAL A 47 5.054 10.107 2.178 1.00 0.00 O ATOM 587 CB VAL A 47 5.299 6.791 2.805 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.875 7.334 4.168 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.594 5.453 2.570 1.00 0.00 C ATOM 0 H VAL A 47 6.981 7.488 1.122 1.00 0.00 H new ATOM 0 HA VAL A 47 4.127 7.332 1.077 1.00 0.00 H new ATOM 0 HB VAL A 47 6.382 6.664 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.153 6.623 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.374 8.286 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.795 7.482 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.856 4.758 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.515 5.607 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.908 5.040 1.611 1.00 0.00 H new ATOM 599 N ILE A 48 3.218 9.063 2.809 1.00 0.00 N ATOM 600 CA ILE A 48 2.646 10.297 3.379 1.00 0.00 C ATOM 601 C ILE A 48 2.217 10.025 4.827 1.00 0.00 C ATOM 602 O ILE A 48 2.461 10.829 5.704 1.00 0.00 O ATOM 603 CB ILE A 48 1.451 10.693 2.514 1.00 0.00 C ATOM 604 CG1 ILE A 48 1.922 11.629 1.401 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.376 11.399 3.349 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.567 11.019 0.043 1.00 0.00 C ATOM 0 H ILE A 48 2.629 8.234 2.892 1.00 0.00 H new ATOM 0 HA ILE A 48 3.372 11.110 3.389 1.00 0.00 H new ATOM 0 HB ILE A 48 1.018 9.788 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.451 12.606 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.998 11.785 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.463 11.670 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.030 10.730 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.796 12.300 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.901 11.684 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.059 10.052 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.487 10.886 -0.025 1.00 0.00 H new ATOM 618 N SER A 49 1.592 8.898 5.097 1.00 0.00 N ATOM 619 CA SER A 49 1.178 8.624 6.512 1.00 0.00 C ATOM 620 C SER A 49 0.153 7.494 6.589 1.00 0.00 C ATOM 621 O SER A 49 -0.495 7.148 5.622 1.00 0.00 O ATOM 622 CB SER A 49 0.562 9.889 7.115 1.00 0.00 C ATOM 623 OG SER A 49 1.451 10.436 8.077 1.00 0.00 O ATOM 0 H SER A 49 1.356 8.175 4.418 1.00 0.00 H new ATOM 0 HA SER A 49 2.066 8.324 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.364 10.619 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.395 9.654 7.581 1.00 0.00 H new ATOM 0 HG SER A 49 2.219 10.840 7.621 1.00 0.00 H new ATOM 629 N ALA A 50 0.003 6.928 7.758 1.00 0.00 N ATOM 630 CA ALA A 50 -0.979 5.821 7.956 1.00 0.00 C ATOM 631 C ALA A 50 -1.598 5.939 9.354 1.00 0.00 C ATOM 632 O ALA A 50 -0.962 6.397 10.283 1.00 0.00 O ATOM 633 CB ALA A 50 -0.264 4.473 7.829 1.00 0.00 C ATOM 0 H ALA A 50 0.526 7.189 8.594 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.762 5.888 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.982 3.665 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.181 4.389 6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.518 4.403 8.585 1.00 0.00 H new ATOM 639 N LYS A 51 -2.833 5.534 9.516 1.00 0.00 N ATOM 640 CA LYS A 51 -3.484 5.633 10.857 1.00 0.00 C ATOM 641 C LYS A 51 -4.643 4.640 10.942 1.00 0.00 C ATOM 642 O LYS A 51 -5.151 4.172 9.944 1.00 0.00 O ATOM 643 CB LYS A 51 -4.019 7.053 11.062 1.00 0.00 C ATOM 644 CG LYS A 51 -2.867 7.989 11.430 1.00 0.00 C ATOM 645 CD LYS A 51 -2.455 8.801 10.199 1.00 0.00 C ATOM 646 CE LYS A 51 -1.947 10.175 10.639 1.00 0.00 C ATOM 647 NZ LYS A 51 -2.858 11.233 10.115 1.00 0.00 N ATOM 0 H LYS A 51 -3.417 5.140 8.779 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.751 5.402 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.508 7.403 10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.771 7.058 11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.171 8.658 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.019 7.412 11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.677 8.274 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.304 8.914 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.901 10.226 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.934 10.336 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.513 12.167 10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.881 11.188 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.817 11.082 10.489 1.00 0.00 H new ATOM 661 N ARG A 52 -5.060 4.319 12.133 1.00 0.00 N ATOM 662 CA ARG A 52 -6.192 3.355 12.297 1.00 0.00 C ATOM 663 C ARG A 52 -7.321 4.026 13.088 1.00 0.00 C ATOM 664 O ARG A 52 -7.384 3.931 14.298 1.00 0.00 O ATOM 665 CB ARG A 52 -5.727 2.094 13.060 1.00 0.00 C ATOM 666 CG ARG A 52 -4.206 2.117 13.251 1.00 0.00 C ATOM 667 CD ARG A 52 -3.861 2.927 14.503 1.00 0.00 C ATOM 668 NE ARG A 52 -4.049 2.076 15.711 1.00 0.00 N ATOM 669 CZ ARG A 52 -4.220 2.632 16.879 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.193 3.099 17.536 1.00 0.00 N ATOM 671 NH2 ARG A 52 -5.417 2.718 17.391 1.00 0.00 N ATOM 0 H ARG A 52 -4.669 4.680 13.003 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.545 3.063 11.308 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.221 2.045 14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.017 1.200 12.509 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.825 1.100 13.346 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.726 2.556 12.377 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.831 3.279 14.449 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.497 3.810 14.565 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.044 1.060 15.625 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.257 3.029 17.136 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.326 3.534 18.449 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.219 2.351 16.878 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.551 3.153 18.304 1.00 0.00 H new ATOM 685 N GLN A 53 -8.222 4.698 12.416 1.00 0.00 N ATOM 686 CA GLN A 53 -9.349 5.360 13.137 1.00 0.00 C ATOM 687 C GLN A 53 -10.031 4.330 14.039 1.00 0.00 C ATOM 688 O GLN A 53 -10.008 3.149 13.764 1.00 0.00 O ATOM 689 CB GLN A 53 -10.359 5.905 12.123 1.00 0.00 C ATOM 690 CG GLN A 53 -10.232 7.426 12.040 1.00 0.00 C ATOM 691 CD GLN A 53 -11.526 8.020 11.479 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.686 8.132 10.281 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.461 8.407 12.303 1.00 0.00 N ATOM 0 H GLN A 53 -8.225 4.816 11.403 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.969 6.185 13.739 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.182 5.461 11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.371 5.630 12.419 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.029 7.838 13.028 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.390 7.696 11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.325 8.312 13.309 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.328 8.804 11.941 1.00 0.00 H new ATOM 702 N LEU A 54 -10.626 4.754 15.120 1.00 0.00 N ATOM 703 CA LEU A 54 -11.278 3.764 16.027 1.00 0.00 C ATOM 704 C LEU A 54 -12.790 4.000 16.111 1.00 0.00 C ATOM 705 O LEU A 54 -13.273 4.682 16.992 1.00 0.00 O ATOM 706 CB LEU A 54 -10.670 3.885 17.425 1.00 0.00 C ATOM 707 CG LEU A 54 -11.164 2.728 18.297 1.00 0.00 C ATOM 708 CD1 LEU A 54 -9.972 2.064 18.990 1.00 0.00 C ATOM 709 CD2 LEU A 54 -12.134 3.263 19.353 1.00 0.00 C ATOM 0 H LEU A 54 -10.690 5.729 15.413 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.108 2.765 15.624 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.582 3.869 17.363 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.950 4.838 17.874 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.674 1.995 17.672 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.325 1.240 19.611 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.281 1.682 18.239 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.460 2.796 19.615 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.486 2.439 19.974 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.624 3.996 19.978 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.984 3.735 18.860 1.00 0.00 H new ATOM 721 N VAL A 55 -13.540 3.405 15.224 1.00 0.00 N ATOM 722 CA VAL A 55 -15.021 3.547 15.269 1.00 0.00 C ATOM 723 C VAL A 55 -15.591 2.140 15.453 1.00 0.00 C ATOM 724 O VAL A 55 -14.917 1.281 15.987 1.00 0.00 O ATOM 725 CB VAL A 55 -15.511 4.176 13.957 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.591 3.116 12.856 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.893 4.801 14.172 1.00 0.00 C ATOM 0 H VAL A 55 -13.186 2.823 14.465 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.344 4.193 16.085 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.805 4.948 13.651 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.940 3.577 11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.604 2.683 12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.287 2.332 13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.240 5.247 13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.596 4.030 14.489 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.828 5.571 14.941 1.00 0.00 H new ATOM 737 N SER A 56 -16.801 1.871 15.022 1.00 0.00 N ATOM 738 CA SER A 56 -17.338 0.483 15.186 1.00 0.00 C ATOM 739 C SER A 56 -16.228 -0.520 14.859 1.00 0.00 C ATOM 740 O SER A 56 -16.174 -1.604 15.392 1.00 0.00 O ATOM 741 CB SER A 56 -18.516 0.253 14.231 1.00 0.00 C ATOM 742 OG SER A 56 -18.038 0.225 12.894 1.00 0.00 O ATOM 0 H SER A 56 -17.429 2.538 14.573 1.00 0.00 H new ATOM 0 HA SER A 56 -17.680 0.350 16.212 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.015 -0.686 14.471 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.255 1.046 14.349 1.00 0.00 H new ATOM 0 HG SER A 56 -17.967 -0.704 12.591 1.00 0.00 H new ATOM 748 N GLY A 57 -15.328 -0.137 14.001 1.00 0.00 N ATOM 749 CA GLY A 57 -14.191 -1.017 13.628 1.00 0.00 C ATOM 750 C GLY A 57 -13.002 -0.092 13.326 1.00 0.00 C ATOM 751 O GLY A 57 -13.169 1.112 13.289 1.00 0.00 O ATOM 0 H GLY A 57 -15.334 0.769 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.951 -1.705 14.439 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.440 -1.625 12.758 1.00 0.00 H new ATOM 755 N ILE A 58 -11.805 -0.588 13.114 1.00 0.00 N ATOM 756 CA ILE A 58 -10.704 0.372 12.834 1.00 0.00 C ATOM 757 C ILE A 58 -10.662 0.711 11.354 1.00 0.00 C ATOM 758 O ILE A 58 -10.740 -0.147 10.506 1.00 0.00 O ATOM 759 CB ILE A 58 -9.356 -0.221 13.205 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.338 -0.547 14.683 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.267 0.799 12.897 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.780 -1.985 14.838 1.00 0.00 C ATOM 0 H ILE A 58 -11.554 -1.577 13.123 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.896 1.265 13.429 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.182 -1.132 12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.338 -0.407 15.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.004 0.120 15.231 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.294 0.383 13.160 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.284 1.039 11.834 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.443 1.705 13.477 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.779 -2.254 15.894 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.786 -2.102 14.435 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.094 -2.637 14.297 1.00 0.00 H new ATOM 774 N LYS A 59 -10.467 1.944 11.031 1.00 0.00 N ATOM 775 CA LYS A 59 -10.343 2.293 9.599 1.00 0.00 C ATOM 776 C LYS A 59 -8.864 2.478 9.357 1.00 0.00 C ATOM 777 O LYS A 59 -8.181 3.163 10.086 1.00 0.00 O ATOM 778 CB LYS A 59 -11.099 3.574 9.260 1.00 0.00 C ATOM 779 CG LYS A 59 -12.206 3.818 10.290 1.00 0.00 C ATOM 780 CD LYS A 59 -13.470 4.307 9.578 1.00 0.00 C ATOM 781 CE LYS A 59 -13.268 5.752 9.115 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.594 6.379 8.854 1.00 0.00 N ATOM 0 H LYS A 59 -10.388 2.722 11.686 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.773 1.513 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.411 4.419 9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.530 3.498 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.417 2.899 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.880 4.557 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.689 3.667 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.326 4.245 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.730 6.317 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.659 5.774 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.458 7.361 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.091 5.844 8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.160 6.370 9.727 1.00 0.00 H new ATOM 796 N TYR A 60 -8.364 1.836 8.371 1.00 0.00 N ATOM 797 CA TYR A 60 -6.907 1.918 8.099 1.00 0.00 C ATOM 798 C TYR A 60 -6.633 2.964 7.036 1.00 0.00 C ATOM 799 O TYR A 60 -6.552 2.662 5.862 1.00 0.00 O ATOM 800 CB TYR A 60 -6.409 0.563 7.623 1.00 0.00 C ATOM 801 CG TYR A 60 -6.147 -0.366 8.806 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.501 0.012 10.117 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.548 -1.615 8.588 1.00 0.00 C ATOM 804 CE1 TYR A 60 -6.251 -0.860 11.184 1.00 0.00 C ATOM 805 CE2 TYR A 60 -5.304 -2.478 9.658 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.654 -2.102 10.956 1.00 0.00 C ATOM 807 OH TYR A 60 -5.412 -2.957 12.012 1.00 0.00 O ATOM 0 H TYR A 60 -8.895 1.249 7.728 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.386 2.201 9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.146 0.113 6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.494 0.690 7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.964 0.971 10.298 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.274 -1.911 7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.521 -0.570 12.189 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.843 -3.439 9.481 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.221 -3.855 11.669 1.00 0.00 H new ATOM 817 N ILE A 61 -6.468 4.193 7.425 1.00 0.00 N ATOM 818 CA ILE A 61 -6.180 5.223 6.413 1.00 0.00 C ATOM 819 C ILE A 61 -4.731 5.104 6.035 1.00 0.00 C ATOM 820 O ILE A 61 -3.853 4.969 6.854 1.00 0.00 O ATOM 821 CB ILE A 61 -6.456 6.617 6.967 1.00 0.00 C ATOM 822 CG1 ILE A 61 -5.852 7.673 6.035 1.00 0.00 C ATOM 823 CG2 ILE A 61 -5.830 6.747 8.356 1.00 0.00 C ATOM 824 CD1 ILE A 61 -6.639 7.708 4.724 1.00 0.00 C ATOM 0 H ILE A 61 -6.520 4.521 8.390 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.820 5.076 5.543 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.533 6.770 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.878 8.652 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.805 7.442 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.027 7.743 8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.262 6.000 9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.754 6.591 8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.209 8.459 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.590 6.730 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.679 7.959 4.931 1.00 0.00 H new ATOM 836 N LEU A 62 -4.498 5.085 4.791 1.00 0.00 N ATOM 837 CA LEU A 62 -3.151 4.905 4.292 1.00 0.00 C ATOM 838 C LEU A 62 -2.871 5.902 3.188 1.00 0.00 C ATOM 839 O LEU A 62 -3.669 6.106 2.296 1.00 0.00 O ATOM 840 CB LEU A 62 -3.169 3.543 3.679 1.00 0.00 C ATOM 841 CG LEU A 62 -1.817 2.853 3.672 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.737 3.852 3.336 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.557 2.232 5.026 1.00 0.00 C ATOM 0 H LEU A 62 -5.211 5.191 4.070 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.404 5.032 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.881 2.921 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.531 3.622 2.654 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.814 2.067 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.232 3.353 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.929 4.279 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.732 4.647 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.586 1.737 5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.562 3.009 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.335 1.501 5.247 1.00 0.00 H new ATOM 855 N GLN A 63 -1.714 6.434 3.178 1.00 0.00 N ATOM 856 CA GLN A 63 -1.322 7.299 2.086 1.00 0.00 C ATOM 857 C GLN A 63 -0.188 6.545 1.506 1.00 0.00 C ATOM 858 O GLN A 63 0.446 5.779 2.201 1.00 0.00 O ATOM 859 CB GLN A 63 -0.851 8.644 2.570 1.00 0.00 C ATOM 860 CG GLN A 63 -1.889 9.274 3.503 1.00 0.00 C ATOM 861 CD GLN A 63 -3.291 9.094 2.915 1.00 0.00 C ATOM 862 OE1 GLN A 63 -4.237 8.842 3.635 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.467 9.215 1.628 1.00 0.00 N ATOM 0 H GLN A 63 -1.007 6.301 3.901 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.137 7.514 1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.099 8.536 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.673 9.301 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.835 8.810 4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.674 10.334 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.674 9.427 1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.398 9.098 1.227 1.00 0.00 H new ATOM 872 N VAL A 64 0.117 6.715 0.294 1.00 0.00 N ATOM 873 CA VAL A 64 1.242 5.905 -0.190 1.00 0.00 C ATOM 874 C VAL A 64 1.931 6.511 -1.355 1.00 0.00 C ATOM 875 O VAL A 64 1.558 7.515 -1.930 1.00 0.00 O ATOM 876 CB VAL A 64 0.841 4.450 -0.545 1.00 0.00 C ATOM 877 CG1 VAL A 64 0.317 3.736 0.690 1.00 0.00 C ATOM 878 CG2 VAL A 64 -0.231 4.422 -1.616 1.00 0.00 C ATOM 0 H VAL A 64 -0.329 7.346 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 64 1.932 5.878 0.653 1.00 0.00 H new ATOM 0 HB VAL A 64 1.731 3.945 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.038 2.715 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.093 3.716 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.556 4.264 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.491 3.388 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.116 4.949 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.142 4.909 -2.517 1.00 0.00 H new ATOM 888 N GLU A 65 2.991 5.876 -1.628 1.00 0.00 N ATOM 889 CA GLU A 65 3.905 6.276 -2.652 1.00 0.00 C ATOM 890 C GLU A 65 4.079 5.125 -3.619 1.00 0.00 C ATOM 891 O GLU A 65 4.333 4.011 -3.207 1.00 0.00 O ATOM 892 CB GLU A 65 5.199 6.512 -1.894 1.00 0.00 C ATOM 893 CG GLU A 65 5.306 5.523 -0.708 1.00 0.00 C ATOM 894 CD GLU A 65 6.688 5.555 -0.052 1.00 0.00 C ATOM 895 OE1 GLU A 65 7.538 6.268 -0.531 1.00 0.00 O ATOM 896 OE2 GLU A 65 6.864 4.867 0.940 1.00 0.00 O ATOM 0 H GLU A 65 3.274 5.028 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 65 3.582 7.148 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.050 6.384 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.233 7.538 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.547 5.766 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.096 4.513 -1.059 1.00 0.00 H new ATOM 903 N ILE A 66 3.919 5.336 -4.885 1.00 0.00 N ATOM 904 CA ILE A 66 4.057 4.193 -5.780 1.00 0.00 C ATOM 905 C ILE A 66 4.682 4.574 -7.108 1.00 0.00 C ATOM 906 O ILE A 66 4.255 5.481 -7.797 1.00 0.00 O ATOM 907 CB ILE A 66 2.676 3.609 -6.052 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.577 4.515 -5.473 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.550 2.214 -5.445 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.438 4.267 -3.970 1.00 0.00 C ATOM 0 H ILE A 66 3.704 6.232 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 66 4.710 3.470 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 66 2.552 3.542 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.821 5.561 -5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.629 4.316 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.556 1.816 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.302 1.557 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.702 2.271 -4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.658 4.912 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.173 3.224 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.384 4.488 -3.476 1.00 0.00 H new ATOM 922 N GLY A 67 5.671 3.826 -7.476 1.00 0.00 N ATOM 923 CA GLY A 67 6.350 4.027 -8.764 1.00 0.00 C ATOM 924 C GLY A 67 6.341 2.645 -9.445 1.00 0.00 C ATOM 925 O GLY A 67 5.702 1.728 -8.957 1.00 0.00 O ATOM 0 H GLY A 67 6.046 3.060 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.831 4.769 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.368 4.389 -8.620 1.00 0.00 H new ATOM 929 N ARG A 68 7.030 2.443 -10.534 1.00 0.00 N ATOM 930 CA ARG A 68 6.979 1.090 -11.152 1.00 0.00 C ATOM 931 C ARG A 68 8.363 0.460 -11.164 1.00 0.00 C ATOM 932 O ARG A 68 9.343 1.103 -10.881 1.00 0.00 O ATOM 933 CB ARG A 68 6.463 1.209 -12.587 1.00 0.00 C ATOM 934 CG ARG A 68 5.194 2.064 -12.604 1.00 0.00 C ATOM 935 CD ARG A 68 3.983 1.187 -12.277 1.00 0.00 C ATOM 936 NE ARG A 68 2.775 1.737 -12.956 1.00 0.00 N ATOM 937 CZ ARG A 68 2.036 2.626 -12.352 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.564 3.416 -11.458 1.00 0.00 N ATOM 939 NH2 ARG A 68 0.767 2.724 -12.642 1.00 0.00 N ATOM 0 H ARG A 68 7.610 3.134 -11.011 1.00 0.00 H new ATOM 0 HA ARG A 68 6.310 0.459 -10.567 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.226 1.659 -13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.253 0.219 -12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.278 2.872 -11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.068 2.527 -13.583 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.163 0.163 -12.604 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.824 1.154 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 68 2.527 1.418 -13.893 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.555 3.339 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.985 4.111 -10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.354 2.106 -13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.188 3.419 -12.170 1.00 0.00 H new ATOM 953 N THR A 69 8.430 -0.799 -11.501 1.00 0.00 N ATOM 954 CA THR A 69 9.697 -1.526 -11.579 1.00 0.00 C ATOM 955 C THR A 69 9.603 -2.277 -12.908 1.00 0.00 C ATOM 956 O THR A 69 8.865 -3.259 -13.023 1.00 0.00 O ATOM 957 CB THR A 69 9.750 -2.483 -10.393 1.00 0.00 C ATOM 958 OG1 THR A 69 8.780 -3.506 -10.569 1.00 0.00 O ATOM 959 CG2 THR A 69 9.451 -1.720 -9.102 1.00 0.00 C ATOM 0 H THR A 69 7.613 -1.364 -11.733 1.00 0.00 H new ATOM 0 HA THR A 69 10.591 -0.904 -11.541 1.00 0.00 H new ATOM 0 HB THR A 69 10.744 -2.926 -10.331 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.990 -4.021 -11.376 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.490 -2.407 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.192 -0.933 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.458 -1.276 -9.164 1.00 0.00 H new ATOM 967 N THR A 70 10.255 -1.764 -13.933 1.00 0.00 N ATOM 968 CA THR A 70 10.128 -2.372 -15.287 1.00 0.00 C ATOM 969 C THR A 70 10.686 -3.807 -15.350 1.00 0.00 C ATOM 970 O THR A 70 10.525 -4.560 -14.422 1.00 0.00 O ATOM 971 CB THR A 70 10.819 -1.479 -16.335 1.00 0.00 C ATOM 972 OG1 THR A 70 10.453 -1.893 -17.642 1.00 0.00 O ATOM 973 CG2 THR A 70 12.339 -1.571 -16.166 1.00 0.00 C ATOM 0 H THR A 70 10.868 -0.950 -13.881 1.00 0.00 H new ATOM 0 HA THR A 70 9.063 -2.439 -15.510 1.00 0.00 H new ATOM 0 HB THR A 70 10.502 -0.446 -16.190 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.895 -1.320 -18.303 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.827 -0.939 -16.908 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.615 -1.236 -15.166 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.658 -2.604 -16.303 1.00 0.00 H new ATOM 1125 N GLU A 82 14.402 -2.987 -12.598 1.00 0.00 N ATOM 1126 CA GLU A 82 13.980 -1.954 -11.618 1.00 0.00 C ATOM 1127 C GLU A 82 13.127 -0.902 -12.316 1.00 0.00 C ATOM 1128 O GLU A 82 12.849 -0.993 -13.494 1.00 0.00 O ATOM 1129 CB GLU A 82 15.220 -1.284 -11.021 1.00 0.00 C ATOM 1130 CG GLU A 82 15.552 -1.934 -9.676 1.00 0.00 C ATOM 1131 CD GLU A 82 15.376 -0.907 -8.555 1.00 0.00 C ATOM 1132 OE1 GLU A 82 14.244 -0.672 -8.167 1.00 0.00 O ATOM 1133 OE2 GLU A 82 16.377 -0.373 -8.104 1.00 0.00 O ATOM 0 HA GLU A 82 13.398 -2.425 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.064 -1.383 -11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.041 -0.217 -10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.901 -2.791 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.576 -2.308 -9.684 1.00 0.00 H new ATOM 1140 N PHE A 83 12.725 0.091 -11.574 1.00 0.00 N ATOM 1141 CA PHE A 83 11.892 1.201 -12.126 1.00 0.00 C ATOM 1142 C PHE A 83 12.225 1.417 -13.606 1.00 0.00 C ATOM 1143 O PHE A 83 11.507 0.983 -14.484 1.00 0.00 O ATOM 1144 CB PHE A 83 12.196 2.455 -11.321 1.00 0.00 C ATOM 1145 CG PHE A 83 11.313 2.520 -10.086 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.244 1.425 -9.206 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.564 3.673 -9.813 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.432 1.482 -8.072 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.756 3.727 -8.675 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.686 2.635 -7.806 1.00 0.00 C ATOM 0 H PHE A 83 12.944 0.184 -10.582 1.00 0.00 H new ATOM 0 HA PHE A 83 10.832 0.959 -12.053 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.245 2.460 -11.026 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.034 3.339 -11.938 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.822 0.536 -9.409 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.612 4.519 -10.482 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.380 0.637 -7.401 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.182 4.618 -8.466 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.056 2.681 -6.930 1.00 0.00 H new ATOM 1160 N HIS A 84 13.326 2.051 -13.885 1.00 0.00 N ATOM 1161 CA HIS A 84 13.730 2.269 -15.306 1.00 0.00 C ATOM 1162 C HIS A 84 15.237 2.484 -15.358 1.00 0.00 C ATOM 1163 O HIS A 84 15.718 3.520 -15.772 1.00 0.00 O ATOM 1164 CB HIS A 84 13.021 3.497 -15.885 1.00 0.00 C ATOM 1165 CG HIS A 84 11.541 3.239 -15.973 1.00 0.00 C ATOM 1166 ND1 HIS A 84 10.721 3.235 -14.857 1.00 0.00 N ATOM 1167 CD2 HIS A 84 10.719 2.981 -17.043 1.00 0.00 C ATOM 1168 CE1 HIS A 84 9.468 2.982 -15.275 1.00 0.00 C ATOM 1169 NE2 HIS A 84 9.411 2.820 -16.600 1.00 0.00 N ATOM 0 H HIS A 84 13.969 2.431 -13.190 1.00 0.00 H new ATOM 0 HA HIS A 84 13.450 1.397 -15.896 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.211 4.367 -15.257 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.419 3.725 -16.874 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.040 2.913 -18.072 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.612 2.918 -14.619 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.585 2.621 -17.165 1.00 0.00 H new ATOM 1177 N ASP A 85 15.983 1.511 -14.924 1.00 0.00 N ATOM 1178 CA ASP A 85 17.465 1.647 -14.927 1.00 0.00 C ATOM 1179 C ASP A 85 17.849 3.014 -14.353 1.00 0.00 C ATOM 1180 O ASP A 85 18.913 3.532 -14.623 1.00 0.00 O ATOM 1181 CB ASP A 85 17.986 1.529 -16.360 1.00 0.00 C ATOM 1182 CG ASP A 85 18.200 0.054 -16.705 1.00 0.00 C ATOM 1183 OD1 ASP A 85 17.393 -0.756 -16.280 1.00 0.00 O ATOM 1184 OD2 ASP A 85 19.166 -0.241 -17.390 1.00 0.00 O ATOM 0 H ASP A 85 15.630 0.624 -14.566 1.00 0.00 H new ATOM 0 HA ASP A 85 17.905 0.858 -14.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.275 1.977 -17.055 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.922 2.077 -16.464 1.00 0.00 H new ATOM 1189 N GLU A 86 16.980 3.597 -13.561 1.00 0.00 N ATOM 1190 CA GLU A 86 17.265 4.934 -12.958 1.00 0.00 C ATOM 1191 C GLU A 86 15.936 5.606 -12.599 1.00 0.00 C ATOM 1192 O GLU A 86 14.907 5.275 -13.153 1.00 0.00 O ATOM 1193 CB GLU A 86 18.016 5.816 -13.960 1.00 0.00 C ATOM 1194 CG GLU A 86 17.386 5.667 -15.346 1.00 0.00 C ATOM 1195 CD GLU A 86 17.600 6.953 -16.145 1.00 0.00 C ATOM 1196 OE1 GLU A 86 18.366 7.788 -15.693 1.00 0.00 O ATOM 1197 OE2 GLU A 86 16.995 7.081 -17.197 1.00 0.00 O ATOM 0 H GLU A 86 16.077 3.197 -13.306 1.00 0.00 H new ATOM 0 HA GLU A 86 17.880 4.805 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.979 6.858 -13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.067 5.531 -13.995 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.832 4.822 -15.871 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.320 5.458 -15.252 1.00 0.00 H new ATOM 1204 N PRO A 87 16.001 6.534 -11.683 1.00 0.00 N ATOM 1205 CA PRO A 87 14.814 7.301 -11.205 1.00 0.00 C ATOM 1206 C PRO A 87 14.529 8.479 -12.139 1.00 0.00 C ATOM 1207 O PRO A 87 13.413 8.961 -12.235 1.00 0.00 O ATOM 1208 CB PRO A 87 15.262 7.795 -9.835 1.00 0.00 C ATOM 1209 CG PRO A 87 16.788 7.829 -9.844 1.00 0.00 C ATOM 1210 CD PRO A 87 17.268 6.943 -11.000 1.00 0.00 C ATOM 0 HA PRO A 87 13.897 6.712 -11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.856 8.786 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.897 7.134 -9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.147 8.850 -9.971 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.184 7.467 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.929 7.488 -11.674 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.825 6.079 -10.638 1.00 0.00 H new ATOM 1218 N GLU A 88 15.554 8.931 -12.808 1.00 0.00 N ATOM 1219 CA GLU A 88 15.454 10.090 -13.746 1.00 0.00 C ATOM 1220 C GLU A 88 14.045 10.248 -14.322 1.00 0.00 C ATOM 1221 O GLU A 88 13.574 11.354 -14.500 1.00 0.00 O ATOM 1222 CB GLU A 88 16.449 9.897 -14.891 1.00 0.00 C ATOM 1223 CG GLU A 88 16.254 11.008 -15.927 1.00 0.00 C ATOM 1224 CD GLU A 88 15.879 10.393 -17.277 1.00 0.00 C ATOM 1225 OE1 GLU A 88 16.015 9.189 -17.417 1.00 0.00 O ATOM 1226 OE2 GLU A 88 15.461 11.138 -18.149 1.00 0.00 O ATOM 0 H GLU A 88 16.490 8.531 -12.741 1.00 0.00 H new ATOM 0 HA GLU A 88 15.684 10.994 -13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.469 9.917 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.302 8.922 -15.355 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.472 11.692 -15.598 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.169 11.593 -16.024 1.00 0.00 H new ATOM 1233 N LEU A 89 13.361 9.182 -14.632 1.00 0.00 N ATOM 1234 CA LEU A 89 11.998 9.356 -15.206 1.00 0.00 C ATOM 1235 C LEU A 89 11.161 8.088 -15.035 1.00 0.00 C ATOM 1236 O LEU A 89 10.467 7.676 -15.943 1.00 0.00 O ATOM 1237 CB LEU A 89 12.120 9.703 -16.697 1.00 0.00 C ATOM 1238 CG LEU A 89 12.429 8.447 -17.528 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.003 8.871 -18.881 1.00 0.00 C ATOM 1240 CD2 LEU A 89 13.453 7.568 -16.803 1.00 0.00 C ATOM 0 H LEU A 89 13.677 8.219 -14.516 1.00 0.00 H new ATOM 0 HA LEU A 89 11.496 10.164 -14.674 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.192 10.156 -17.046 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.909 10.442 -16.839 1.00 0.00 H new ATOM 0 HG LEU A 89 11.509 7.879 -17.669 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.225 7.985 -19.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.276 9.489 -19.407 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.918 9.442 -18.725 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.662 6.682 -17.403 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.374 8.131 -16.653 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.052 7.265 -15.836 1.00 0.00 H new ATOM 1252 N ALA A 90 11.190 7.462 -13.889 1.00 0.00 N ATOM 1253 CA ALA A 90 10.354 6.235 -13.736 1.00 0.00 C ATOM 1254 C ALA A 90 8.929 6.625 -13.355 1.00 0.00 C ATOM 1255 O ALA A 90 8.133 5.799 -12.952 1.00 0.00 O ATOM 1256 CB ALA A 90 10.929 5.316 -12.656 1.00 0.00 C ATOM 0 H ALA A 90 11.739 7.736 -13.074 1.00 0.00 H new ATOM 0 HA ALA A 90 10.352 5.703 -14.687 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.303 4.429 -12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.941 5.019 -12.932 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.953 5.845 -11.703 1.00 0.00 H new ATOM 1262 N LYS A 91 8.619 7.883 -13.458 1.00 0.00 N ATOM 1263 CA LYS A 91 7.289 8.379 -13.079 1.00 0.00 C ATOM 1264 C LYS A 91 6.960 7.878 -11.704 1.00 0.00 C ATOM 1265 O LYS A 91 7.640 7.054 -11.135 1.00 0.00 O ATOM 1266 CB LYS A 91 6.188 7.921 -14.010 1.00 0.00 C ATOM 1267 CG LYS A 91 6.773 7.521 -15.366 1.00 0.00 C ATOM 1268 CD LYS A 91 5.637 7.243 -16.352 1.00 0.00 C ATOM 1269 CE LYS A 91 6.211 6.643 -17.637 1.00 0.00 C ATOM 1270 NZ LYS A 91 5.269 6.890 -18.765 1.00 0.00 N ATOM 0 H LYS A 91 9.257 8.602 -13.800 1.00 0.00 H new ATOM 0 HA LYS A 91 7.336 9.467 -13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.659 7.075 -13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.458 8.720 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.412 8.317 -15.747 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.398 6.635 -15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.916 6.557 -15.908 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.102 8.166 -16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.182 7.087 -17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.371 5.572 -17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.659 6.482 -19.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.352 6.446 -18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.138 7.914 -18.890 1.00 0.00 H new ATOM 1284 N TYR A 92 5.934 8.408 -11.170 1.00 0.00 N ATOM 1285 CA TYR A 92 5.516 8.055 -9.817 1.00 0.00 C ATOM 1286 C TYR A 92 4.034 8.368 -9.645 1.00 0.00 C ATOM 1287 O TYR A 92 3.381 8.893 -10.527 1.00 0.00 O ATOM 1288 CB TYR A 92 6.338 8.927 -8.901 1.00 0.00 C ATOM 1289 CG TYR A 92 7.805 8.722 -9.215 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.441 7.535 -8.829 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.519 9.696 -9.926 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.789 7.323 -9.146 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.866 9.481 -10.246 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.500 8.296 -9.857 1.00 0.00 C ATOM 1295 OH TYR A 92 11.827 8.088 -10.173 1.00 0.00 O ATOM 0 H TYR A 92 5.342 9.099 -11.630 1.00 0.00 H new ATOM 0 HA TYR A 92 5.661 6.996 -9.603 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.067 9.974 -9.034 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.137 8.675 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.891 6.781 -8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.031 10.611 -10.227 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.279 6.410 -8.842 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.416 10.232 -10.794 1.00 0.00 H new ATOM 0 HH TYR A 92 12.046 8.568 -10.999 1.00 0.00 H new ATOM 1305 N THR A 93 3.508 8.031 -8.517 1.00 0.00 N ATOM 1306 CA THR A 93 2.070 8.272 -8.241 1.00 0.00 C ATOM 1307 C THR A 93 1.829 8.277 -6.727 1.00 0.00 C ATOM 1308 O THR A 93 2.609 7.758 -5.962 1.00 0.00 O ATOM 1309 CB THR A 93 1.266 7.151 -8.899 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.085 7.563 -9.058 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.322 5.879 -8.045 1.00 0.00 C ATOM 0 H THR A 93 4.020 7.589 -7.754 1.00 0.00 H new ATOM 0 HA THR A 93 1.761 9.237 -8.642 1.00 0.00 H new ATOM 0 HB THR A 93 1.699 6.935 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.599 6.844 -9.482 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.744 5.091 -8.528 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.358 5.557 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.903 6.084 -7.060 1.00 0.00 H new ATOM 1319 N THR A 94 0.746 8.853 -6.296 1.00 0.00 N ATOM 1320 CA THR A 94 0.433 8.880 -4.834 1.00 0.00 C ATOM 1321 C THR A 94 -0.875 8.118 -4.634 1.00 0.00 C ATOM 1322 O THR A 94 -1.857 8.397 -5.294 1.00 0.00 O ATOM 1323 CB THR A 94 0.270 10.335 -4.377 1.00 0.00 C ATOM 1324 OG1 THR A 94 1.424 11.077 -4.746 1.00 0.00 O ATOM 1325 CG2 THR A 94 0.092 10.391 -2.858 1.00 0.00 C ATOM 0 H THR A 94 0.057 9.310 -6.893 1.00 0.00 H new ATOM 0 HA THR A 94 1.233 8.422 -4.252 1.00 0.00 H new ATOM 0 HB THR A 94 -0.611 10.763 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.321 12.008 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.023 11.428 -2.543 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.796 9.825 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.968 9.959 -2.373 1.00 0.00 H new ATOM 1333 N CYS A 95 -0.908 7.125 -3.785 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.180 6.353 -3.654 1.00 0.00 C ATOM 1335 C CYS A 95 -2.666 6.285 -2.201 1.00 0.00 C ATOM 1336 O CYS A 95 -1.938 6.562 -1.274 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.907 4.967 -4.196 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.416 4.260 -4.891 1.00 0.00 S ATOM 0 H CYS A 95 -0.135 6.821 -3.193 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.976 6.847 -4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.133 5.014 -4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.529 4.325 -3.400 1.00 0.00 H new ATOM 1343 N THR A 96 -3.914 5.925 -2.008 1.00 0.00 N ATOM 1344 CA THR A 96 -4.476 5.850 -0.621 1.00 0.00 C ATOM 1345 C THR A 96 -5.124 4.485 -0.376 1.00 0.00 C ATOM 1346 O THR A 96 -5.850 3.967 -1.203 1.00 0.00 O ATOM 1347 CB THR A 96 -5.546 6.932 -0.447 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.976 8.210 -0.698 1.00 0.00 O ATOM 1349 CG2 THR A 96 -6.097 6.888 0.981 1.00 0.00 C ATOM 0 H THR A 96 -4.568 5.680 -2.752 1.00 0.00 H new ATOM 0 HA THR A 96 -3.662 5.997 0.089 1.00 0.00 H new ATOM 0 HB THR A 96 -6.358 6.752 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.662 8.901 -0.588 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.858 7.659 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.539 5.910 1.171 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.287 7.064 1.689 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.884 3.914 0.775 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.490 2.605 1.120 1.00 0.00 C ATOM 1359 C PHE A 97 -6.392 2.785 2.338 1.00 0.00 C ATOM 1360 O PHE A 97 -5.992 3.353 3.335 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.411 1.596 1.503 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.303 1.534 0.464 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.514 1.977 -0.856 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.057 0.987 0.811 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.496 1.866 -1.796 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.046 0.887 -0.129 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.258 1.321 -1.436 1.00 0.00 C ATOM 0 H PHE A 97 -4.284 4.310 1.498 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.046 2.245 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.988 1.866 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.860 0.609 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.466 2.403 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.886 0.641 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.661 2.202 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.090 0.471 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.469 1.237 -2.169 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.591 2.286 2.289 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.482 2.415 3.474 1.00 0.00 C ATOM 1379 C VAL A 98 -8.919 1.003 3.870 1.00 0.00 C ATOM 1380 O VAL A 98 -9.713 0.379 3.194 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.686 3.272 3.102 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.705 3.253 4.241 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.226 4.710 2.848 1.00 0.00 C ATOM 0 H VAL A 98 -7.992 1.798 1.488 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.972 2.893 4.310 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.150 2.873 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.564 3.867 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.033 2.229 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.246 3.650 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.085 5.325 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.761 5.108 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.504 4.722 2.031 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.362 0.467 4.925 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.707 -0.933 5.307 1.00 0.00 C ATOM 1395 C VAL A 99 -9.465 -1.005 6.631 1.00 0.00 C ATOM 1396 O VAL A 99 -8.971 -0.627 7.668 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.405 -1.745 5.408 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.463 -2.725 6.589 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.227 -2.518 4.111 1.00 0.00 C ATOM 0 H VAL A 99 -7.689 0.934 5.533 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.365 -1.344 4.542 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.566 -1.069 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.531 -3.288 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.603 -2.169 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.296 -3.414 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.308 -3.103 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.076 -3.187 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.169 -1.820 3.276 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.630 -1.577 6.616 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.361 -1.735 7.893 1.00 0.00 C ATOM 1411 C TYR A 100 -10.734 -2.923 8.628 1.00 0.00 C ATOM 1412 O TYR A 100 -10.287 -3.871 8.009 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.842 -1.984 7.629 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.649 -1.266 8.678 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.414 0.090 8.917 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.628 -1.948 9.410 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.153 0.772 9.885 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.371 -1.268 10.379 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.134 0.093 10.618 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.869 0.765 11.572 1.00 0.00 O ATOM 0 H TYR A 100 -11.102 -1.937 5.787 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.287 -0.831 8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.113 -1.628 6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.055 -3.053 7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.658 0.613 8.351 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.809 -2.997 9.226 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.969 1.820 10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.128 -1.791 10.944 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.733 0.318 11.694 1.00 0.00 H new ATOM 1430 N SER A 101 -10.659 -2.877 9.927 1.00 0.00 N ATOM 1431 CA SER A 101 -10.022 -3.988 10.669 1.00 0.00 C ATOM 1432 C SER A 101 -10.858 -4.274 11.931 1.00 0.00 C ATOM 1433 O SER A 101 -10.785 -3.556 12.912 1.00 0.00 O ATOM 1434 CB SER A 101 -8.597 -3.534 11.036 1.00 0.00 C ATOM 1435 OG SER A 101 -8.534 -2.119 11.002 1.00 0.00 O ATOM 0 H SER A 101 -11.013 -2.115 10.505 1.00 0.00 H new ATOM 0 HA SER A 101 -9.971 -4.902 10.078 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.331 -3.898 12.029 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.876 -3.959 10.337 1.00 0.00 H new ATOM 0 HG SER A 101 -7.641 -1.838 10.712 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.673 -5.303 11.894 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.537 -5.645 13.071 1.00 0.00 C ATOM 1443 C ILE A 102 -11.753 -6.581 14.014 1.00 0.00 C ATOM 1444 O ILE A 102 -11.556 -7.735 13.698 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.792 -6.365 12.565 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.160 -5.831 11.174 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.951 -6.110 13.532 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.604 -6.205 10.831 1.00 0.00 C ATOM 0 H ILE A 102 -11.777 -5.925 11.093 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.820 -4.740 13.608 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.598 -7.436 12.505 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.041 -4.748 11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.482 -6.244 10.427 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.844 -6.622 13.173 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.690 -6.487 14.521 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.146 -5.039 13.592 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.854 -5.821 9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.710 -7.290 10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.278 -5.771 11.570 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.312 -6.063 15.137 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.520 -6.847 16.144 1.00 0.00 C ATOM 1462 C PRO A 103 -11.355 -7.943 16.822 1.00 0.00 C ATOM 1463 O PRO A 103 -10.948 -9.086 16.875 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.076 -5.786 17.144 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.053 -4.631 17.011 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.543 -4.645 15.564 1.00 0.00 C ATOM 0 HA PRO A 103 -9.689 -7.385 15.688 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.081 -6.183 18.159 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.058 -5.458 16.935 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.886 -4.745 17.704 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.569 -3.684 17.248 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.595 -4.369 15.493 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.987 -3.942 14.944 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.498 -7.621 17.363 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.305 -8.683 18.044 1.00 0.00 C ATOM 1476 C TRP A 104 -13.607 -9.844 17.082 1.00 0.00 C ATOM 1477 O TRP A 104 -14.101 -10.874 17.494 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.625 -8.093 18.575 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.549 -7.743 17.444 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.326 -8.619 16.758 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.827 -6.430 16.878 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.045 -7.929 15.802 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.769 -6.576 15.833 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.349 -5.138 17.164 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.222 -5.482 15.098 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.804 -4.034 16.427 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.739 -4.206 15.395 1.00 0.00 C ATOM 0 H TRP A 104 -12.906 -6.686 17.366 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.720 -9.066 18.880 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.109 -8.812 19.236 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.417 -7.203 19.169 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.374 -9.684 16.932 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.700 -8.365 15.153 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.628 -4.995 17.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.941 -5.620 14.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.432 -3.046 16.655 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.085 -3.352 14.831 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.354 -9.686 15.806 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.667 -10.755 14.846 1.00 0.00 C ATOM 1500 C LEU A 105 -12.498 -10.949 13.874 1.00 0.00 C ATOM 1501 O LEU A 105 -12.621 -11.643 12.886 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.860 -10.250 14.089 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.047 -11.213 14.133 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.925 -12.236 13.002 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.117 -11.939 15.480 1.00 0.00 C ATOM 0 H LEU A 105 -12.939 -8.848 15.398 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.851 -11.709 15.341 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.164 -9.288 14.501 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.578 -10.077 13.050 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.962 -10.634 14.007 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.773 -12.920 13.037 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.916 -11.718 12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.999 -12.799 13.119 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.970 -12.617 15.484 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.200 -12.508 15.635 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.230 -11.209 16.281 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.368 -10.351 14.158 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.187 -10.494 13.271 1.00 0.00 C ATOM 1519 C ASN A 106 -10.626 -10.564 11.809 1.00 0.00 C ATOM 1520 O ASN A 106 -10.351 -11.515 11.107 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.451 -11.756 13.672 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.008 -11.698 13.168 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.605 -10.731 12.555 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.208 -12.703 13.402 1.00 0.00 N ATOM 0 H ASN A 106 -11.218 -9.764 14.978 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.529 -9.632 13.375 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.463 -11.866 14.756 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.955 -12.629 13.258 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.244 -12.676 13.070 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.547 -13.515 13.917 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.311 -9.554 11.355 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.785 -9.537 9.945 1.00 0.00 C ATOM 1533 C GLN A 107 -11.323 -8.246 9.265 1.00 0.00 C ATOM 1534 O GLN A 107 -11.904 -7.194 9.443 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.313 -9.609 9.921 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.769 -10.355 8.665 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.615 -11.564 9.068 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -14.092 -12.632 9.316 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.911 -11.439 9.147 1.00 0.00 N ATOM 0 H GLN A 107 -11.565 -8.733 11.905 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.372 -10.394 9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.678 -10.119 10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.735 -8.604 9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.348 -9.690 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.903 -10.680 8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.351 -10.542 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.485 -12.238 9.417 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.283 -8.325 8.484 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.776 -7.115 7.779 1.00 0.00 C ATOM 1550 C ILE A 108 -10.470 -7.033 6.413 1.00 0.00 C ATOM 1551 O ILE A 108 -10.954 -8.020 5.898 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.247 -7.248 7.628 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.550 -6.246 8.555 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.804 -7.017 6.174 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.105 -6.013 8.106 1.00 0.00 C ATOM 0 H ILE A 108 -9.759 -9.181 8.302 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.991 -6.202 8.335 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.964 -8.263 7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.094 -5.301 8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.563 -6.620 9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.721 -7.118 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.280 -7.754 5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.096 -6.015 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.626 -5.299 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.559 -6.956 8.131 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.099 -5.618 7.090 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.530 -5.871 5.821 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.203 -5.769 4.495 1.00 0.00 C ATOM 1569 C LYS A 109 -10.729 -4.523 3.741 1.00 0.00 C ATOM 1570 O LYS A 109 -10.777 -3.418 4.247 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.717 -5.684 4.702 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.401 -5.401 3.364 1.00 0.00 C ATOM 1573 CD LYS A 109 -13.133 -6.555 2.398 1.00 0.00 C ATOM 1574 CE LYS A 109 -13.813 -7.824 2.917 1.00 0.00 C ATOM 1575 NZ LYS A 109 -15.003 -8.129 2.074 1.00 0.00 N ATOM 0 H LYS A 109 -10.149 -5.000 6.191 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.951 -6.652 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.090 -6.618 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.953 -4.896 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.474 -5.278 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.028 -4.467 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.510 -6.308 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.060 -6.719 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.114 -8.660 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.115 -7.689 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.466 -8.991 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.672 -7.334 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.703 -8.275 1.089 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.290 -4.699 2.522 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.834 -3.535 1.711 1.00 0.00 C ATOM 1591 C LEU A 110 -11.047 -2.681 1.361 1.00 0.00 C ATOM 1592 O LEU A 110 -12.169 -3.145 1.392 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.162 -4.031 0.435 1.00 0.00 C ATOM 1594 CG LEU A 110 -7.917 -3.188 0.174 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.016 -3.208 1.410 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.159 -3.768 -1.012 1.00 0.00 C ATOM 0 H LEU A 110 -10.228 -5.603 2.053 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.116 -2.942 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.892 -5.082 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.850 -3.958 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.211 -2.161 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.127 -2.606 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.558 -2.799 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.719 -4.234 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.268 -3.169 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.866 -4.794 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.799 -3.757 -1.894 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.845 -1.435 1.040 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.017 -0.575 0.709 1.00 0.00 C ATOM 1610 C LEU A 111 -11.583 0.566 -0.200 1.00 0.00 C ATOM 1611 O LEU A 111 -11.667 0.484 -1.409 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.603 0.002 2.000 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.489 -1.046 2.677 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.763 -1.619 3.896 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.799 -0.394 3.125 1.00 0.00 C ATOM 0 H LEU A 111 -9.934 -0.978 0.992 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.769 -1.176 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.800 0.303 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.185 0.896 1.779 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.704 -1.849 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.394 -2.365 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.830 -2.084 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.547 -0.817 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.430 -1.140 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.583 0.409 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.318 0.014 2.257 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.136 1.633 0.381 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.702 2.801 -0.437 1.00 0.00 C ATOM 1629 C GLU A 112 -9.244 2.629 -0.855 1.00 0.00 C ATOM 1630 O GLU A 112 -8.391 3.436 -0.542 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.860 4.092 0.371 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.626 5.123 -0.459 1.00 0.00 C ATOM 1633 CD GLU A 112 -10.767 6.375 -0.640 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -9.564 6.276 -0.455 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -11.325 7.412 -0.959 1.00 0.00 O ATOM 0 H GLU A 112 -11.050 1.754 1.390 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.325 2.860 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.393 3.889 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.881 4.485 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.884 4.703 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.562 5.380 0.036 1.00 0.00 H new ATOM 1642 N SER A 113 -8.965 1.592 -1.587 1.00 0.00 N ATOM 1643 CA SER A 113 -7.576 1.358 -2.068 1.00 0.00 C ATOM 1644 C SER A 113 -7.499 1.835 -3.516 1.00 0.00 C ATOM 1645 O SER A 113 -7.740 1.084 -4.441 1.00 0.00 O ATOM 1646 CB SER A 113 -7.252 -0.137 -1.999 1.00 0.00 C ATOM 1647 OG SER A 113 -8.361 -0.884 -2.478 1.00 0.00 O ATOM 0 H SER A 113 -9.645 0.889 -1.876 1.00 0.00 H new ATOM 0 HA SER A 113 -6.860 1.898 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.367 -0.356 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.023 -0.423 -0.973 1.00 0.00 H new ATOM 0 HG SER A 113 -8.694 -0.480 -3.306 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.188 3.084 -3.724 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.124 3.605 -5.117 1.00 0.00 C ATOM 1655 C LYS A 114 -6.288 4.882 -5.149 1.00 0.00 C ATOM 1656 O LYS A 114 -6.069 5.518 -4.139 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.538 3.909 -5.612 1.00 0.00 C ATOM 1658 CG LYS A 114 -9.104 2.680 -6.327 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.976 3.128 -7.502 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.001 2.031 -8.568 1.00 0.00 C ATOM 1661 NZ LYS A 114 -9.069 2.393 -9.675 1.00 0.00 N ATOM 0 H LYS A 114 -6.976 3.763 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.665 2.856 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.178 4.181 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.522 4.762 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.291 2.048 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.692 2.081 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.989 3.338 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.585 4.053 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.709 1.077 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.012 1.908 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.085 1.648 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.367 3.295 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.104 2.489 -9.299 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.810 5.252 -6.304 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.974 6.480 -6.406 1.00 0.00 C ATOM 1677 C CYS A 115 -5.770 7.592 -7.086 1.00 0.00 C ATOM 1678 O CYS A 115 -6.503 7.362 -8.028 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.719 6.171 -7.225 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.175 4.475 -6.886 1.00 0.00 S ATOM 0 H CYS A 115 -5.962 4.757 -7.182 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.686 6.807 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.927 6.291 -8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.926 6.875 -6.974 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.632 8.800 -6.614 1.00 0.00 N ATOM 1686 CA GLN A 116 -6.380 9.932 -7.229 1.00 0.00 C ATOM 1687 C GLN A 116 -5.397 10.868 -7.939 1.00 0.00 C ATOM 1688 CB GLN A 116 -7.125 10.706 -6.140 1.00 0.00 C ATOM 1689 CG GLN A 116 -7.868 11.885 -6.771 1.00 0.00 C ATOM 1690 CD GLN A 116 -9.109 12.212 -5.939 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -9.108 13.146 -5.163 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -10.178 11.473 -6.066 1.00 0.00 N ATOM 0 H GLN A 116 -5.033 9.052 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.097 9.542 -7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.830 10.049 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.422 11.065 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.213 12.755 -6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.157 11.641 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.181 10.688 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.010 11.681 -5.514 1.00 0.00 H new