USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 67 LYS NZ :NH3+ -132:sc= 0.0302 (180deg=-0.112) USER MOD Set 1.2: A 88 TYR OH : rot -131:sc= -0.772 USER MOD Set 2.1: A 46 MET CE :methyl -141:sc= -0.0384 (180deg=-0.282) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 171:sc= 0.016 (180deg=0) USER MOD Set 2.3: A 50 HIS : no HD1:sc= -4.31! C(o=-5.2!,f=-6.9!) USER MOD Set 2.4: A 74 MET CE :methyl -123:sc= -0.894 (180deg=-0.691) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.0201 F(o=-0.95,f=-0.02) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 15 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.8) USER MOD Single : A 16 THR OG1 : rot 130:sc= 0.00303 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -73:sc= 0.101 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 61:sc= 0.569 USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= -3.71! (180deg=-9.5!) USER MOD Single : A 40 GLN : amide:sc= -4.46! C(o=-4.5!,f=-6!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0.021) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 171:sc= 0.855 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.88! C(o=-2.9!,f=-6!) USER MOD Single : A 68 ASN : amide:sc= -0.723 K(o=-0.72,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 75 ASN : amide:sc=-0.00395 X(o=-0.0039,f=-0.24) USER MOD Single : A 76 SER OG : rot -54:sc= 0.964 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.185 F(o=-0.8,f=-0.18) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.4!) USER MOD Single : A 107 TYR OH : rot 4:sc= 0.718 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 48:sc= 0.972 USER MOD Single : A 115 SER OG : rot 22:sc= 0.589! USER MOD Single : A 116 SER OG : rot 10:sc= 0.173 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc=-0.00921 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.439 -17.910 9.108 1.00 0.00 N ATOM 2 CA GLY A 1 10.894 -17.453 7.844 1.00 0.00 C ATOM 3 C GLY A 1 11.108 -15.968 7.623 1.00 0.00 C ATOM 4 O GLY A 1 11.078 -15.182 8.570 1.00 0.00 O ATOM 0 H1 GLY A 1 10.795 -18.609 9.531 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.368 -18.348 8.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.545 -17.101 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.358 -18.009 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.827 -17.672 7.812 1.00 0.00 H new ATOM 8 N SER A 2 11.326 -15.583 6.370 1.00 0.00 N ATOM 9 CA SER A 2 11.551 -14.183 6.028 1.00 0.00 C ATOM 10 C SER A 2 10.597 -13.276 6.798 1.00 0.00 C ATOM 11 O SER A 2 11.001 -12.246 7.338 1.00 0.00 O ATOM 12 CB SER A 2 11.375 -13.968 4.524 1.00 0.00 C ATOM 13 OG SER A 2 12.163 -12.882 4.068 1.00 0.00 O ATOM 0 H SER A 2 11.352 -16.221 5.574 1.00 0.00 H new ATOM 0 HA SER A 2 12.573 -13.927 6.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.656 -14.875 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.325 -13.778 4.301 1.00 0.00 H new ATOM 0 HG SER A 2 12.034 -12.767 3.103 1.00 0.00 H new ATOM 19 N SER A 3 9.327 -13.666 6.844 1.00 0.00 N ATOM 20 CA SER A 3 8.312 -12.887 7.544 1.00 0.00 C ATOM 21 C SER A 3 8.751 -12.583 8.973 1.00 0.00 C ATOM 22 O SER A 3 9.287 -13.447 9.667 1.00 0.00 O ATOM 23 CB SER A 3 6.980 -13.638 7.556 1.00 0.00 C ATOM 24 OG SER A 3 6.007 -12.940 8.314 1.00 0.00 O ATOM 0 H SER A 3 8.976 -14.517 6.405 1.00 0.00 H new ATOM 0 HA SER A 3 8.183 -11.944 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.624 -13.769 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.125 -14.634 7.974 1.00 0.00 H new ATOM 0 HG SER A 3 5.164 -13.440 8.304 1.00 0.00 H new ATOM 30 N GLY A 4 8.519 -11.348 9.407 1.00 0.00 N ATOM 31 CA GLY A 4 8.895 -10.951 10.751 1.00 0.00 C ATOM 32 C GLY A 4 9.439 -9.537 10.807 1.00 0.00 C ATOM 33 O GLY A 4 10.652 -9.333 10.856 1.00 0.00 O ATOM 0 H GLY A 4 8.077 -10.615 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.027 -11.029 11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.646 -11.642 11.134 1.00 0.00 H new ATOM 37 N SER A 5 8.540 -8.558 10.799 1.00 0.00 N ATOM 38 CA SER A 5 8.936 -7.156 10.844 1.00 0.00 C ATOM 39 C SER A 5 8.778 -6.591 12.253 1.00 0.00 C ATOM 40 O SER A 5 7.702 -6.664 12.845 1.00 0.00 O ATOM 41 CB SER A 5 8.102 -6.336 9.858 1.00 0.00 C ATOM 42 OG SER A 5 8.386 -6.705 8.519 1.00 0.00 O ATOM 0 H SER A 5 7.532 -8.710 10.762 1.00 0.00 H new ATOM 0 HA SER A 5 9.987 -7.092 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.042 -6.485 10.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.308 -5.275 9.997 1.00 0.00 H new ATOM 0 HG SER A 5 7.839 -6.168 7.909 1.00 0.00 H new ATOM 48 N SER A 6 9.860 -6.029 12.782 1.00 0.00 N ATOM 49 CA SER A 6 9.844 -5.455 14.123 1.00 0.00 C ATOM 50 C SER A 6 11.075 -4.584 14.356 1.00 0.00 C ATOM 51 O SER A 6 11.954 -4.491 13.500 1.00 0.00 O ATOM 52 CB SER A 6 9.783 -6.564 15.175 1.00 0.00 C ATOM 53 OG SER A 6 10.904 -7.425 15.074 1.00 0.00 O ATOM 0 H SER A 6 10.758 -5.959 12.303 1.00 0.00 H new ATOM 0 HA SER A 6 8.956 -4.830 14.213 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.748 -6.123 16.171 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.866 -7.139 15.049 1.00 0.00 H new ATOM 0 HG SER A 6 10.842 -8.124 15.758 1.00 0.00 H new ATOM 59 N GLY A 7 11.130 -3.948 15.522 1.00 0.00 N ATOM 60 CA GLY A 7 12.257 -3.093 15.847 1.00 0.00 C ATOM 61 C GLY A 7 11.828 -1.788 16.488 1.00 0.00 C ATOM 62 O GLY A 7 11.502 -0.826 15.794 1.00 0.00 O ATOM 0 H GLY A 7 10.415 -4.009 16.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.928 -3.623 16.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.821 -2.880 14.939 1.00 0.00 H new ATOM 66 N GLU A 8 11.827 -1.756 17.817 1.00 0.00 N ATOM 67 CA GLU A 8 11.432 -0.559 18.552 1.00 0.00 C ATOM 68 C GLU A 8 10.125 0.008 18.005 1.00 0.00 C ATOM 69 O GLU A 8 10.006 1.200 17.722 1.00 0.00 O ATOM 70 CB GLU A 8 12.533 0.501 18.473 1.00 0.00 C ATOM 71 CG GLU A 8 13.931 -0.058 18.674 1.00 0.00 C ATOM 72 CD GLU A 8 14.382 0.004 20.120 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.845 -0.768 20.942 1.00 0.00 O ATOM 74 OE2 GLU A 8 15.271 0.824 20.431 1.00 0.00 O ATOM 0 H GLU A 8 12.095 -2.544 18.407 1.00 0.00 H new ATOM 0 HA GLU A 8 11.279 -0.837 19.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.484 0.992 17.501 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.345 1.265 19.227 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.957 -1.093 18.333 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.634 0.499 18.054 1.00 0.00 H new ATOM 81 N PRO A 9 9.119 -0.867 17.852 1.00 0.00 N ATOM 82 CA PRO A 9 7.803 -0.477 17.338 1.00 0.00 C ATOM 83 C PRO A 9 7.029 0.390 18.326 1.00 0.00 C ATOM 84 O PRO A 9 5.883 0.762 18.074 1.00 0.00 O ATOM 85 CB PRO A 9 7.092 -1.817 17.132 1.00 0.00 C ATOM 86 CG PRO A 9 7.757 -2.749 18.085 1.00 0.00 C ATOM 87 CD PRO A 9 9.190 -2.303 18.169 1.00 0.00 C ATOM 0 HA PRO A 9 7.881 0.124 16.432 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.025 -1.735 17.338 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.192 -2.164 16.104 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.279 -2.713 19.064 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.689 -3.779 17.735 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.607 -2.475 19.161 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.820 -2.840 17.460 1.00 0.00 H new ATOM 95 N ALA A 10 7.662 0.708 19.450 1.00 0.00 N ATOM 96 CA ALA A 10 7.034 1.534 20.473 1.00 0.00 C ATOM 97 C ALA A 10 6.124 2.586 19.848 1.00 0.00 C ATOM 98 O ALA A 10 6.455 3.174 18.818 1.00 0.00 O ATOM 99 CB ALA A 10 8.093 2.197 21.341 1.00 0.00 C ATOM 0 H ALA A 10 8.610 0.406 19.675 1.00 0.00 H new ATOM 0 HA ALA A 10 6.420 0.887 21.100 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.609 2.811 22.101 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.698 1.431 21.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.732 2.825 20.720 1.00 0.00 H new ATOM 105 N HIS A 11 4.976 2.819 20.477 1.00 0.00 N ATOM 106 CA HIS A 11 4.019 3.801 19.982 1.00 0.00 C ATOM 107 C HIS A 11 4.371 5.201 20.476 1.00 0.00 C ATOM 108 O HIS A 11 4.800 5.378 21.615 1.00 0.00 O ATOM 109 CB HIS A 11 2.603 3.432 20.425 1.00 0.00 C ATOM 110 CG HIS A 11 2.468 3.242 21.904 1.00 0.00 C ATOM 111 ND1 HIS A 11 2.795 2.193 22.695 1.00 0.00 N flip ATOM 112 CD2 HIS A 11 1.941 4.202 22.742 1.00 0.00 C flip ATOM 113 CE1 HIS A 11 2.464 2.535 23.983 1.00 0.00 C flip ATOM 114 NE2 HIS A 11 1.951 3.752 23.984 1.00 0.00 N flip ATOM 0 H HIS A 11 4.687 2.341 21.330 1.00 0.00 H new ATOM 0 HA HIS A 11 4.064 3.798 18.893 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.915 4.214 20.103 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.301 2.514 19.920 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.577 5.170 22.432 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.601 1.911 24.853 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.619 4.259 24.805 1.00 0.00 H new ATOM 122 N GLY A 12 4.187 6.193 19.610 1.00 0.00 N ATOM 123 CA GLY A 12 4.491 7.564 19.977 1.00 0.00 C ATOM 124 C GLY A 12 3.276 8.466 19.907 1.00 0.00 C ATOM 125 O GLY A 12 2.263 8.206 20.556 1.00 0.00 O ATOM 0 H GLY A 12 3.833 6.072 18.661 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.897 7.585 20.988 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.265 7.951 19.315 1.00 0.00 H new ATOM 129 N ARG A 13 3.376 9.531 19.118 1.00 0.00 N ATOM 130 CA ARG A 13 2.277 10.477 18.968 1.00 0.00 C ATOM 131 C ARG A 13 1.913 10.659 17.498 1.00 0.00 C ATOM 132 O ARG A 13 0.985 11.395 17.165 1.00 0.00 O ATOM 133 CB ARG A 13 2.650 11.827 19.584 1.00 0.00 C ATOM 134 CG ARG A 13 1.680 12.944 19.235 1.00 0.00 C ATOM 135 CD ARG A 13 1.829 14.127 20.180 1.00 0.00 C ATOM 136 NE ARG A 13 1.092 13.930 21.425 1.00 0.00 N ATOM 137 CZ ARG A 13 1.624 13.395 22.518 1.00 0.00 C ATOM 138 NH1 ARG A 13 2.891 13.005 22.520 1.00 0.00 N ATOM 139 NH2 ARG A 13 0.888 13.248 23.612 1.00 0.00 N ATOM 0 H ARG A 13 4.207 9.760 18.573 1.00 0.00 H new ATOM 0 HA ARG A 13 1.410 10.074 19.491 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.695 11.722 20.668 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.649 12.106 19.249 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.854 13.272 18.210 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.658 12.567 19.280 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.885 14.281 20.404 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.473 15.032 19.687 1.00 0.00 H new ATOM 0 HE ARG A 13 0.114 14.219 21.457 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.460 13.116 21.681 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.297 12.594 23.361 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.088 13.546 23.614 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.298 12.837 24.451 1.00 0.00 H new ATOM 153 N GLN A 14 2.652 9.985 16.623 1.00 0.00 N ATOM 154 CA GLN A 14 2.408 10.074 15.188 1.00 0.00 C ATOM 155 C GLN A 14 1.699 8.823 14.678 1.00 0.00 C ATOM 156 O GLN A 14 2.303 7.755 14.569 1.00 0.00 O ATOM 157 CB GLN A 14 3.725 10.270 14.436 1.00 0.00 C ATOM 158 CG GLN A 14 4.734 9.158 14.675 1.00 0.00 C ATOM 159 CD GLN A 14 6.124 9.517 14.190 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.301 9.978 13.062 1.00 0.00 O ATOM 161 NE2 GLN A 14 7.121 9.308 15.042 1.00 0.00 N ATOM 0 H GLN A 14 3.424 9.371 16.882 1.00 0.00 H new ATOM 0 HA GLN A 14 1.764 10.934 15.007 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.517 10.337 13.368 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.167 11.220 14.735 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.773 8.931 15.740 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.399 8.253 14.168 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.929 8.924 15.967 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.079 9.531 14.771 1.00 0.00 H new ATOM 170 N HIS A 15 0.414 8.962 14.367 1.00 0.00 N ATOM 171 CA HIS A 15 -0.377 7.843 13.868 1.00 0.00 C ATOM 172 C HIS A 15 -0.892 8.127 12.460 1.00 0.00 C ATOM 173 O HIS A 15 -1.250 9.259 12.134 1.00 0.00 O ATOM 174 CB HIS A 15 -1.551 7.563 14.806 1.00 0.00 C ATOM 175 CG HIS A 15 -1.134 7.084 16.162 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.238 7.767 16.958 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.496 5.985 16.863 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.066 7.106 18.089 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.818 6.021 18.057 1.00 0.00 N ATOM 0 H HIS A 15 -0.101 9.838 14.452 1.00 0.00 H new ATOM 0 HA HIS A 15 0.266 6.964 13.830 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.141 8.472 14.917 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.200 6.815 14.349 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.189 5.221 16.543 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.580 7.403 18.902 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.885 5.323 18.798 1.00 0.00 H new ATOM 187 N THR A 16 -0.925 7.091 11.627 1.00 0.00 N ATOM 188 CA THR A 16 -1.393 7.229 10.254 1.00 0.00 C ATOM 189 C THR A 16 -2.646 6.394 10.014 1.00 0.00 C ATOM 190 O THR A 16 -2.677 5.190 10.269 1.00 0.00 O ATOM 191 CB THR A 16 -0.308 6.808 9.245 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.820 6.895 7.911 1.00 0.00 O ATOM 193 CG2 THR A 16 0.165 5.389 9.520 1.00 0.00 C ATOM 0 H THR A 16 -0.633 6.147 11.880 1.00 0.00 H new ATOM 0 HA THR A 16 -1.628 8.283 10.105 1.00 0.00 H new ATOM 0 HB THR A 16 0.540 7.484 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.194 7.401 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.931 5.114 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.581 5.333 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.677 4.702 9.436 1.00 0.00 H new ATOM 201 N PRO A 17 -3.705 7.045 9.511 1.00 0.00 N ATOM 202 CA PRO A 17 -4.980 6.381 9.224 1.00 0.00 C ATOM 203 C PRO A 17 -4.882 5.425 8.040 1.00 0.00 C ATOM 204 O PRO A 17 -3.874 5.397 7.334 1.00 0.00 O ATOM 205 CB PRO A 17 -5.920 7.544 8.897 1.00 0.00 C ATOM 206 CG PRO A 17 -5.023 8.632 8.415 1.00 0.00 C ATOM 207 CD PRO A 17 -3.739 8.481 9.183 1.00 0.00 C ATOM 0 HA PRO A 17 -5.316 5.766 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.647 7.263 8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.484 7.856 9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.848 8.547 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.469 9.611 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.876 8.777 8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.733 9.099 10.081 1.00 0.00 H new ATOM 215 N CYS A 18 -5.936 4.644 7.828 1.00 0.00 N ATOM 216 CA CYS A 18 -5.969 3.687 6.729 1.00 0.00 C ATOM 217 C CYS A 18 -6.397 4.364 5.430 1.00 0.00 C ATOM 218 O CYS A 18 -6.943 5.468 5.443 1.00 0.00 O ATOM 219 CB CYS A 18 -6.924 2.536 7.056 1.00 0.00 C ATOM 220 SG CYS A 18 -6.893 1.177 5.843 1.00 0.00 S ATOM 0 H CYS A 18 -6.778 4.655 8.403 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.963 3.289 6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.672 2.137 8.039 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.939 2.928 7.121 1.00 0.00 H new ATOM 225 N LEU A 19 -6.147 3.694 4.310 1.00 0.00 N ATOM 226 CA LEU A 19 -6.507 4.230 3.002 1.00 0.00 C ATOM 227 C LEU A 19 -7.965 3.927 2.671 1.00 0.00 C ATOM 228 O LEU A 19 -8.703 4.800 2.215 1.00 0.00 O ATOM 229 CB LEU A 19 -5.594 3.647 1.921 1.00 0.00 C ATOM 230 CG LEU A 19 -4.093 3.718 2.201 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.760 4.956 3.019 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.623 2.460 2.917 1.00 0.00 C ATOM 0 H LEU A 19 -5.697 2.779 4.282 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.379 5.312 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.866 2.603 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.794 4.168 0.985 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.568 3.786 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.687 4.989 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.059 5.848 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.295 4.920 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.552 2.529 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.155 2.360 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.825 1.589 2.293 1.00 0.00 H new ATOM 244 N PHE A 20 -8.372 2.684 2.905 1.00 0.00 N ATOM 245 CA PHE A 20 -9.743 2.265 2.633 1.00 0.00 C ATOM 246 C PHE A 20 -10.679 2.708 3.753 1.00 0.00 C ATOM 247 O PHE A 20 -11.770 3.220 3.500 1.00 0.00 O ATOM 248 CB PHE A 20 -9.811 0.746 2.468 1.00 0.00 C ATOM 249 CG PHE A 20 -8.873 0.214 1.422 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.263 0.144 0.094 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.601 -0.215 1.766 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.403 -0.346 -0.870 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.736 -0.705 0.806 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.137 -0.769 -0.514 1.00 0.00 C ATOM 0 H PHE A 20 -7.773 1.949 3.282 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.064 2.739 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.582 0.274 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.831 0.462 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.250 0.476 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.282 -0.166 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.720 -0.398 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.748 -1.037 1.088 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.462 -1.149 -1.267 1.00 0.00 H new ATOM 264 N CYS A 21 -10.246 2.508 4.993 1.00 0.00 N ATOM 265 CA CYS A 21 -11.044 2.885 6.153 1.00 0.00 C ATOM 266 C CYS A 21 -10.394 4.041 6.908 1.00 0.00 C ATOM 267 O CYS A 21 -9.377 4.584 6.476 1.00 0.00 O ATOM 268 CB CYS A 21 -11.221 1.686 7.088 1.00 0.00 C ATOM 269 SG CYS A 21 -9.707 1.210 7.981 1.00 0.00 S ATOM 0 H CYS A 21 -9.346 2.086 5.220 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.023 3.210 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.001 1.917 7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.570 0.833 6.506 1.00 0.00 H new ATOM 274 N ASP A 22 -10.988 4.410 8.038 1.00 0.00 N ATOM 275 CA ASP A 22 -10.466 5.501 8.854 1.00 0.00 C ATOM 276 C ASP A 22 -9.853 4.967 10.145 1.00 0.00 C ATOM 277 O ASP A 22 -10.067 5.525 11.222 1.00 0.00 O ATOM 278 CB ASP A 22 -11.578 6.500 9.178 1.00 0.00 C ATOM 279 CG ASP A 22 -12.327 6.954 7.941 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.942 6.097 7.271 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.299 8.166 7.642 1.00 0.00 O ATOM 0 H ASP A 22 -11.830 3.970 8.410 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.687 6.008 8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.279 6.044 9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.148 7.368 9.678 1.00 0.00 H new ATOM 286 N ARG A 23 -9.091 3.885 10.029 1.00 0.00 N ATOM 287 CA ARG A 23 -8.448 3.275 11.187 1.00 0.00 C ATOM 288 C ARG A 23 -7.051 3.852 11.400 1.00 0.00 C ATOM 289 O ARG A 23 -6.209 3.814 10.502 1.00 0.00 O ATOM 290 CB ARG A 23 -8.363 1.758 11.010 1.00 0.00 C ATOM 291 CG ARG A 23 -9.669 1.037 11.303 1.00 0.00 C ATOM 292 CD ARG A 23 -9.565 -0.449 10.998 1.00 0.00 C ATOM 293 NE ARG A 23 -10.714 -1.194 11.506 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.810 -1.633 12.756 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.832 -1.403 13.620 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.888 -2.304 13.144 1.00 0.00 N ATOM 0 H ARG A 23 -8.903 3.412 9.145 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.053 3.498 12.066 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.057 1.536 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.586 1.367 11.667 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.936 1.177 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.470 1.476 10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.487 -0.593 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.651 -0.847 11.440 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.484 -1.388 10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.002 -0.888 13.326 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.909 -1.741 14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.643 -2.483 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.961 -2.641 14.104 1.00 0.00 H new ATOM 310 N LEU A 24 -6.813 4.386 12.593 1.00 0.00 N ATOM 311 CA LEU A 24 -5.519 4.971 12.924 1.00 0.00 C ATOM 312 C LEU A 24 -4.563 3.910 13.462 1.00 0.00 C ATOM 313 O LEU A 24 -4.953 3.053 14.254 1.00 0.00 O ATOM 314 CB LEU A 24 -5.691 6.088 13.954 1.00 0.00 C ATOM 315 CG LEU A 24 -6.316 7.385 13.440 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.758 8.263 14.601 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.335 8.133 12.548 1.00 0.00 C ATOM 0 H LEU A 24 -7.499 4.426 13.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.093 5.389 12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.307 5.710 14.770 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.713 6.321 14.374 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.195 7.131 12.848 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.200 9.181 14.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.495 7.729 15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.895 8.508 15.221 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.797 9.054 12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.437 8.374 13.117 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.068 7.507 11.696 1.00 0.00 H new ATOM 329 N PHE A 25 -3.309 3.977 13.028 1.00 0.00 N ATOM 330 CA PHE A 25 -2.297 3.023 13.467 1.00 0.00 C ATOM 331 C PHE A 25 -1.000 3.738 13.836 1.00 0.00 C ATOM 332 O PHE A 25 -0.548 4.634 13.125 1.00 0.00 O ATOM 333 CB PHE A 25 -2.028 1.991 12.369 1.00 0.00 C ATOM 334 CG PHE A 25 -3.257 1.244 11.935 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.175 1.832 11.080 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.494 -0.046 12.381 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.307 1.148 10.680 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.623 -0.736 11.984 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.531 -0.139 11.131 1.00 0.00 C ATOM 0 H PHE A 25 -2.969 4.681 12.373 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.675 2.512 14.352 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.595 2.496 11.505 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.286 1.277 12.726 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.004 2.836 10.722 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.787 -0.518 13.047 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.016 1.619 10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.796 -1.741 12.340 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.414 -0.677 10.817 1.00 0.00 H new ATOM 349 N ALA A 26 -0.408 3.334 14.956 1.00 0.00 N ATOM 350 CA ALA A 26 0.837 3.934 15.420 1.00 0.00 C ATOM 351 C ALA A 26 1.800 4.167 14.261 1.00 0.00 C ATOM 352 O ALA A 26 2.232 5.294 14.018 1.00 0.00 O ATOM 353 CB ALA A 26 1.485 3.052 16.478 1.00 0.00 C ATOM 0 H ALA A 26 -0.770 2.595 15.558 1.00 0.00 H new ATOM 0 HA ALA A 26 0.602 4.902 15.863 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.414 3.512 16.816 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.807 2.940 17.324 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.699 2.071 16.053 1.00 0.00 H new ATOM 359 N SER A 27 2.133 3.095 13.549 1.00 0.00 N ATOM 360 CA SER A 27 3.049 3.183 12.418 1.00 0.00 C ATOM 361 C SER A 27 2.393 2.655 11.146 1.00 0.00 C ATOM 362 O SER A 27 1.288 2.115 11.182 1.00 0.00 O ATOM 363 CB SER A 27 4.329 2.398 12.709 1.00 0.00 C ATOM 364 OG SER A 27 5.021 2.944 13.818 1.00 0.00 O ATOM 0 H SER A 27 1.782 2.156 13.735 1.00 0.00 H new ATOM 0 HA SER A 27 3.302 4.233 12.267 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.082 1.355 12.908 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.975 2.411 11.831 1.00 0.00 H new ATOM 0 HG SER A 27 5.834 2.423 13.985 1.00 0.00 H new ATOM 370 N ALA A 28 3.083 2.816 10.021 1.00 0.00 N ATOM 371 CA ALA A 28 2.570 2.354 8.737 1.00 0.00 C ATOM 372 C ALA A 28 2.442 0.835 8.712 1.00 0.00 C ATOM 373 O ALA A 28 1.363 0.299 8.462 1.00 0.00 O ATOM 374 CB ALA A 28 3.472 2.829 7.607 1.00 0.00 C ATOM 0 H ALA A 28 3.999 3.263 9.973 1.00 0.00 H new ATOM 0 HA ALA A 28 1.576 2.778 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.077 2.477 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.509 3.918 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.477 2.432 7.752 1.00 0.00 H new ATOM 380 N GLU A 29 3.550 0.147 8.971 1.00 0.00 N ATOM 381 CA GLU A 29 3.560 -1.311 8.975 1.00 0.00 C ATOM 382 C GLU A 29 2.241 -1.862 9.511 1.00 0.00 C ATOM 383 O GLU A 29 1.668 -2.789 8.940 1.00 0.00 O ATOM 384 CB GLU A 29 4.724 -1.832 9.820 1.00 0.00 C ATOM 385 CG GLU A 29 6.011 -2.017 9.035 1.00 0.00 C ATOM 386 CD GLU A 29 7.001 -2.924 9.741 1.00 0.00 C ATOM 387 OE1 GLU A 29 6.573 -3.970 10.272 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.203 -2.586 9.763 1.00 0.00 O ATOM 0 H GLU A 29 4.451 0.576 9.181 1.00 0.00 H new ATOM 0 HA GLU A 29 3.685 -1.652 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.905 -1.138 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.440 -2.785 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.778 -2.433 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.472 -1.044 8.866 1.00 0.00 H new ATOM 395 N GLU A 30 1.768 -1.285 10.610 1.00 0.00 N ATOM 396 CA GLU A 30 0.518 -1.719 11.223 1.00 0.00 C ATOM 397 C GLU A 30 -0.636 -1.629 10.229 1.00 0.00 C ATOM 398 O GLU A 30 -1.345 -2.608 9.992 1.00 0.00 O ATOM 399 CB GLU A 30 0.209 -0.871 12.459 1.00 0.00 C ATOM 400 CG GLU A 30 0.845 -1.398 13.734 1.00 0.00 C ATOM 401 CD GLU A 30 2.353 -1.521 13.626 1.00 0.00 C ATOM 402 OE1 GLU A 30 3.031 -0.474 13.567 1.00 0.00 O ATOM 403 OE2 GLU A 30 2.854 -2.664 13.601 1.00 0.00 O ATOM 0 H GLU A 30 2.231 -0.516 11.095 1.00 0.00 H new ATOM 0 HA GLU A 30 0.634 -2.760 11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.554 0.148 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.871 -0.823 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.597 -0.733 14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.421 -2.374 13.971 1.00 0.00 H new ATOM 410 N THR A 31 -0.818 -0.447 9.649 1.00 0.00 N ATOM 411 CA THR A 31 -1.886 -0.227 8.682 1.00 0.00 C ATOM 412 C THR A 31 -1.812 -1.237 7.542 1.00 0.00 C ATOM 413 O THR A 31 -2.761 -1.982 7.297 1.00 0.00 O ATOM 414 CB THR A 31 -1.829 1.197 8.096 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.532 2.141 9.131 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.149 1.562 7.433 1.00 0.00 C ATOM 0 H THR A 31 -0.239 0.373 9.832 1.00 0.00 H new ATOM 0 HA THR A 31 -2.827 -0.354 9.216 1.00 0.00 H new ATOM 0 HB THR A 31 -1.042 1.225 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.317 2.252 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.085 2.571 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.358 0.859 6.627 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.951 1.518 8.170 1.00 0.00 H new ATOM 424 N PHE A 32 -0.679 -1.256 6.848 1.00 0.00 N ATOM 425 CA PHE A 32 -0.481 -2.175 5.733 1.00 0.00 C ATOM 426 C PHE A 32 -0.978 -3.574 6.086 1.00 0.00 C ATOM 427 O PHE A 32 -1.939 -4.070 5.499 1.00 0.00 O ATOM 428 CB PHE A 32 0.998 -2.229 5.345 1.00 0.00 C ATOM 429 CG PHE A 32 1.453 -1.039 4.551 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.725 -0.599 3.457 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.610 -0.359 4.898 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.143 0.496 2.724 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.032 0.737 4.169 1.00 0.00 C ATOM 434 CZ PHE A 32 2.297 1.165 3.081 1.00 0.00 C ATOM 0 H PHE A 32 0.116 -0.646 7.038 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.058 -1.807 4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.600 -2.304 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.181 -3.134 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.179 -1.117 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.189 -0.689 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.567 0.828 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.935 1.258 4.450 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.624 2.022 2.510 1.00 0.00 H new ATOM 444 N SER A 33 -0.314 -4.205 7.050 1.00 0.00 N ATOM 445 CA SER A 33 -0.684 -5.548 7.479 1.00 0.00 C ATOM 446 C SER A 33 -2.191 -5.656 7.690 1.00 0.00 C ATOM 447 O SER A 33 -2.825 -6.614 7.246 1.00 0.00 O ATOM 448 CB SER A 33 0.050 -5.914 8.770 1.00 0.00 C ATOM 449 OG SER A 33 0.047 -7.316 8.979 1.00 0.00 O ATOM 0 H SER A 33 0.482 -3.807 7.548 1.00 0.00 H new ATOM 0 HA SER A 33 -0.394 -6.246 6.694 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.077 -5.552 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.425 -5.416 9.616 1.00 0.00 H new ATOM 0 HG SER A 33 0.524 -7.524 9.810 1.00 0.00 H new ATOM 455 N HIS A 34 -2.759 -4.665 8.371 1.00 0.00 N ATOM 456 CA HIS A 34 -4.193 -4.646 8.641 1.00 0.00 C ATOM 457 C HIS A 34 -4.991 -4.762 7.346 1.00 0.00 C ATOM 458 O HIS A 34 -5.975 -5.499 7.275 1.00 0.00 O ATOM 459 CB HIS A 34 -4.577 -3.363 9.378 1.00 0.00 C ATOM 460 CG HIS A 34 -5.954 -2.874 9.049 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.101 -3.502 9.488 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.365 -1.809 8.322 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.157 -2.845 9.043 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.738 -1.814 8.333 1.00 0.00 N ATOM 0 H HIS A 34 -2.249 -3.865 8.746 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.431 -5.503 9.271 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.508 -3.536 10.452 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.855 -2.583 9.134 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.129 -4.342 10.066 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.731 -1.089 7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.188 -3.107 9.229 1.00 0.00 H new ATOM 472 N CYS A 35 -4.561 -4.029 6.324 1.00 0.00 N ATOM 473 CA CYS A 35 -5.237 -4.048 5.032 1.00 0.00 C ATOM 474 C CYS A 35 -5.114 -5.419 4.374 1.00 0.00 C ATOM 475 O CYS A 35 -6.010 -5.855 3.651 1.00 0.00 O ATOM 476 CB CYS A 35 -4.655 -2.974 4.113 1.00 0.00 C ATOM 477 SG CYS A 35 -4.652 -1.313 4.828 1.00 0.00 S ATOM 0 H CYS A 35 -3.748 -3.415 6.366 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.294 -3.839 5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.632 -3.248 3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.226 -2.957 3.185 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.920 -1.304 5.902 1.00 0.00 H new ATOM 483 N LYS A 36 -3.998 -6.093 4.628 1.00 0.00 N ATOM 484 CA LYS A 36 -3.755 -7.414 4.061 1.00 0.00 C ATOM 485 C LYS A 36 -4.619 -8.468 4.748 1.00 0.00 C ATOM 486 O LYS A 36 -4.855 -9.545 4.200 1.00 0.00 O ATOM 487 CB LYS A 36 -2.277 -7.785 4.194 1.00 0.00 C ATOM 488 CG LYS A 36 -1.383 -7.100 3.175 1.00 0.00 C ATOM 489 CD LYS A 36 -0.975 -5.711 3.637 1.00 0.00 C ATOM 490 CE LYS A 36 0.260 -5.218 2.898 1.00 0.00 C ATOM 491 NZ LYS A 36 0.257 -3.738 2.739 1.00 0.00 N ATOM 0 H LYS A 36 -3.246 -5.746 5.224 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.021 -7.383 3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.935 -7.527 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.171 -8.865 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.492 -7.705 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.905 -7.029 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.799 -5.016 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.777 -5.726 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.154 -5.523 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.308 -5.689 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.215 -3.369 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.045 -3.493 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.401 -3.316 3.425 1.00 0.00 H new ATOM 505 N LEU A 37 -5.088 -8.150 5.949 1.00 0.00 N ATOM 506 CA LEU A 37 -5.928 -9.069 6.711 1.00 0.00 C ATOM 507 C LEU A 37 -7.406 -8.787 6.464 1.00 0.00 C ATOM 508 O LEU A 37 -8.196 -9.707 6.255 1.00 0.00 O ATOM 509 CB LEU A 37 -5.617 -8.956 8.204 1.00 0.00 C ATOM 510 CG LEU A 37 -4.151 -9.138 8.600 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.887 -8.521 9.965 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.778 -10.613 8.599 1.00 0.00 C ATOM 0 H LEU A 37 -4.901 -7.263 6.417 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.710 -10.084 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.947 -7.977 8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.211 -9.699 8.736 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.529 -8.626 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.839 -8.660 10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.115 -7.456 9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.518 -9.005 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.732 -10.724 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.406 -11.148 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.929 -11.026 7.602 1.00 0.00 H new ATOM 524 N GLU A 38 -7.772 -7.509 6.490 1.00 0.00 N ATOM 525 CA GLU A 38 -9.156 -7.107 6.268 1.00 0.00 C ATOM 526 C GLU A 38 -9.413 -6.834 4.788 1.00 0.00 C ATOM 527 O GLU A 38 -10.159 -7.562 4.132 1.00 0.00 O ATOM 528 CB GLU A 38 -9.487 -5.861 7.092 1.00 0.00 C ATOM 529 CG GLU A 38 -9.305 -6.054 8.588 1.00 0.00 C ATOM 530 CD GLU A 38 -10.531 -6.651 9.252 1.00 0.00 C ATOM 531 OE1 GLU A 38 -10.715 -7.882 9.160 1.00 0.00 O ATOM 532 OE2 GLU A 38 -11.306 -5.886 9.863 1.00 0.00 O ATOM 0 H GLU A 38 -7.130 -6.735 6.662 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.801 -7.926 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.854 -5.038 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.518 -5.569 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.448 -6.703 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.078 -5.093 9.050 1.00 0.00 H new ATOM 539 N HIS A 39 -8.790 -5.781 4.270 1.00 0.00 N ATOM 540 CA HIS A 39 -8.951 -5.411 2.868 1.00 0.00 C ATOM 541 C HIS A 39 -8.155 -6.349 1.964 1.00 0.00 C ATOM 542 O HIS A 39 -8.067 -6.134 0.756 1.00 0.00 O ATOM 543 CB HIS A 39 -8.502 -3.967 2.644 1.00 0.00 C ATOM 544 CG HIS A 39 -9.138 -2.990 3.586 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.486 -2.992 3.875 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.601 -1.978 4.306 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.751 -2.022 4.731 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.624 -1.391 5.009 1.00 0.00 N ATOM 0 H HIS A 39 -8.169 -5.169 4.799 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.007 -5.498 2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.419 -3.911 2.752 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.736 -3.677 1.620 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.171 -3.641 3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.561 -1.686 4.324 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.724 -1.785 5.135 1.00 0.00 H new ATOM 556 N GLN A 40 -7.577 -7.387 2.559 1.00 0.00 N ATOM 557 CA GLN A 40 -6.788 -8.356 1.808 1.00 0.00 C ATOM 558 C GLN A 40 -6.093 -7.691 0.624 1.00 0.00 C ATOM 559 O GLN A 40 -5.966 -8.284 -0.448 1.00 0.00 O ATOM 560 CB GLN A 40 -7.678 -9.499 1.316 1.00 0.00 C ATOM 561 CG GLN A 40 -8.847 -9.036 0.463 1.00 0.00 C ATOM 562 CD GLN A 40 -8.481 -8.893 -1.001 1.00 0.00 C ATOM 563 OE1 GLN A 40 -8.087 -7.818 -1.453 1.00 0.00 O ATOM 564 NE2 GLN A 40 -8.609 -9.981 -1.752 1.00 0.00 N ATOM 0 H GLN A 40 -7.640 -7.579 3.559 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.025 -8.760 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.072 -10.197 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.062 -10.046 2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.667 -9.747 0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.209 -8.079 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.939 -10.852 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.377 -9.946 -2.745 1.00 0.00 H new ATOM 573 N PHE A 41 -5.646 -6.456 0.824 1.00 0.00 N ATOM 574 CA PHE A 41 -4.966 -5.709 -0.227 1.00 0.00 C ATOM 575 C PHE A 41 -3.493 -5.505 0.116 1.00 0.00 C ATOM 576 O PHE A 41 -3.153 -5.111 1.231 1.00 0.00 O ATOM 577 CB PHE A 41 -5.643 -4.354 -0.440 1.00 0.00 C ATOM 578 CG PHE A 41 -4.740 -3.322 -1.053 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.646 -3.194 -2.429 1.00 0.00 C ATOM 580 CD2 PHE A 41 -3.986 -2.480 -0.252 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.816 -2.245 -2.995 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.154 -1.529 -0.812 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.069 -1.411 -2.186 1.00 0.00 C ATOM 0 H PHE A 41 -5.743 -5.951 1.705 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.030 -6.288 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.514 -4.489 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.006 -3.984 0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.228 -3.843 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.049 -2.568 0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.751 -2.155 -4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.571 -0.879 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.420 -0.668 -2.626 1.00 0.00 H new ATOM 593 N ASN A 42 -2.623 -5.779 -0.851 1.00 0.00 N ATOM 594 CA ASN A 42 -1.186 -5.627 -0.651 1.00 0.00 C ATOM 595 C ASN A 42 -0.663 -4.394 -1.382 1.00 0.00 C ATOM 596 O ASN A 42 -1.082 -4.099 -2.502 1.00 0.00 O ATOM 597 CB ASN A 42 -0.448 -6.875 -1.139 1.00 0.00 C ATOM 598 CG ASN A 42 -0.525 -8.018 -0.146 1.00 0.00 C ATOM 599 OD1 ASN A 42 0.408 -8.251 0.623 1.00 0.00 O ATOM 600 ND2 ASN A 42 -1.641 -8.737 -0.157 1.00 0.00 N ATOM 0 H ASN A 42 -2.888 -6.107 -1.780 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.004 -5.499 0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.872 -7.195 -2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.597 -6.627 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.751 -9.518 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.389 -8.508 -0.812 1.00 0.00 H new ATOM 607 N ILE A 43 0.255 -3.678 -0.741 1.00 0.00 N ATOM 608 CA ILE A 43 0.837 -2.479 -1.331 1.00 0.00 C ATOM 609 C ILE A 43 2.082 -2.815 -2.145 1.00 0.00 C ATOM 610 O ILE A 43 2.381 -2.157 -3.142 1.00 0.00 O ATOM 611 CB ILE A 43 1.207 -1.444 -0.253 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.737 -0.164 -0.903 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.237 -2.023 0.706 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.658 0.675 -1.552 1.00 0.00 C ATOM 0 H ILE A 43 0.612 -3.908 0.187 1.00 0.00 H new ATOM 0 HA ILE A 43 0.080 -2.052 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 43 0.310 -1.196 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.246 0.434 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.481 -0.429 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.488 -1.279 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.826 -2.909 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.136 -2.296 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.105 1.566 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.165 0.094 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.075 0.970 -0.801 1.00 0.00 H new ATOM 626 N ASP A 44 2.803 -3.845 -1.716 1.00 0.00 N ATOM 627 CA ASP A 44 4.014 -4.272 -2.406 1.00 0.00 C ATOM 628 C ASP A 44 3.702 -4.700 -3.837 1.00 0.00 C ATOM 629 O ASP A 44 4.425 -4.353 -4.771 1.00 0.00 O ATOM 630 CB ASP A 44 4.680 -5.422 -1.650 1.00 0.00 C ATOM 631 CG ASP A 44 5.730 -6.132 -2.483 1.00 0.00 C ATOM 632 OD1 ASP A 44 5.348 -6.901 -3.390 1.00 0.00 O ATOM 633 OD2 ASP A 44 6.933 -5.917 -2.228 1.00 0.00 O ATOM 0 H ASP A 44 2.569 -4.400 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 44 4.700 -3.426 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.141 -5.036 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.919 -6.139 -1.342 1.00 0.00 H new ATOM 638 N SER A 45 2.622 -5.457 -4.000 1.00 0.00 N ATOM 639 CA SER A 45 2.217 -5.938 -5.316 1.00 0.00 C ATOM 640 C SER A 45 1.946 -4.771 -6.261 1.00 0.00 C ATOM 641 O SER A 45 2.367 -4.784 -7.417 1.00 0.00 O ATOM 642 CB SER A 45 0.968 -6.815 -5.200 1.00 0.00 C ATOM 643 OG SER A 45 0.870 -7.709 -6.294 1.00 0.00 O ATOM 0 H SER A 45 2.012 -5.751 -3.237 1.00 0.00 H new ATOM 0 HA SER A 45 3.034 -6.533 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.001 -7.379 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.080 -6.185 -5.161 1.00 0.00 H new ATOM 0 HG SER A 45 0.065 -8.259 -6.196 1.00 0.00 H new ATOM 649 N MET A 46 1.240 -3.763 -5.759 1.00 0.00 N ATOM 650 CA MET A 46 0.914 -2.587 -6.557 1.00 0.00 C ATOM 651 C MET A 46 2.181 -1.894 -7.048 1.00 0.00 C ATOM 652 O MET A 46 2.275 -1.501 -8.210 1.00 0.00 O ATOM 653 CB MET A 46 0.067 -1.608 -5.740 1.00 0.00 C ATOM 654 CG MET A 46 -1.216 -2.219 -5.200 1.00 0.00 C ATOM 655 SD MET A 46 -2.380 -2.658 -6.506 1.00 0.00 S ATOM 656 CE MET A 46 -2.912 -1.034 -7.043 1.00 0.00 C ATOM 0 H MET A 46 0.883 -3.737 -4.804 1.00 0.00 H new ATOM 0 HA MET A 46 0.342 -2.915 -7.425 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.661 -1.235 -4.906 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.183 -0.749 -6.363 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.974 -3.110 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.691 -1.514 -4.518 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.980 -1.055 -7.262 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.718 -0.308 -6.254 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.363 -0.750 -7.941 1.00 0.00 H new ATOM 666 N VAL A 47 3.154 -1.747 -6.154 1.00 0.00 N ATOM 667 CA VAL A 47 4.416 -1.102 -6.496 1.00 0.00 C ATOM 668 C VAL A 47 5.079 -1.788 -7.686 1.00 0.00 C ATOM 669 O VAL A 47 5.458 -1.137 -8.659 1.00 0.00 O ATOM 670 CB VAL A 47 5.392 -1.110 -5.304 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.718 -0.476 -5.695 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.780 -0.393 -4.111 1.00 0.00 C ATOM 0 H VAL A 47 3.092 -2.066 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 47 4.183 -0.070 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 47 5.582 -2.145 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.394 -0.491 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.161 -1.037 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.550 0.555 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.483 -0.408 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.559 0.640 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.859 -0.896 -3.818 1.00 0.00 H new ATOM 682 N HIS A 48 5.214 -3.108 -7.601 1.00 0.00 N ATOM 683 CA HIS A 48 5.830 -3.884 -8.671 1.00 0.00 C ATOM 684 C HIS A 48 4.942 -3.898 -9.912 1.00 0.00 C ATOM 685 O HIS A 48 5.430 -3.814 -11.039 1.00 0.00 O ATOM 686 CB HIS A 48 6.097 -5.315 -8.204 1.00 0.00 C ATOM 687 CG HIS A 48 7.220 -5.424 -7.220 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.547 -5.461 -7.593 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.209 -5.501 -5.868 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.303 -5.559 -6.514 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.515 -5.585 -5.454 1.00 0.00 N ATOM 0 H HIS A 48 4.905 -3.662 -6.802 1.00 0.00 H new ATOM 0 HA HIS A 48 6.778 -3.412 -8.929 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.190 -5.717 -7.753 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.323 -5.935 -9.071 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.335 -5.497 -5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.382 -5.609 -6.501 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.826 -5.656 -4.485 1.00 0.00 H new ATOM 699 N LYS A 49 3.635 -4.006 -9.697 1.00 0.00 N ATOM 700 CA LYS A 49 2.678 -4.031 -10.797 1.00 0.00 C ATOM 701 C LYS A 49 2.739 -2.736 -11.601 1.00 0.00 C ATOM 702 O LYS A 49 3.134 -2.735 -12.767 1.00 0.00 O ATOM 703 CB LYS A 49 1.261 -4.245 -10.261 1.00 0.00 C ATOM 704 CG LYS A 49 0.335 -4.936 -11.248 1.00 0.00 C ATOM 705 CD LYS A 49 -1.099 -4.956 -10.748 1.00 0.00 C ATOM 706 CE LYS A 49 -1.772 -3.604 -10.929 1.00 0.00 C ATOM 707 NZ LYS A 49 -2.441 -3.490 -12.254 1.00 0.00 N ATOM 0 H LYS A 49 3.214 -4.078 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 49 2.940 -4.859 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.313 -4.838 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.834 -3.279 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.379 -4.424 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.677 -5.957 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.662 -5.719 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.114 -5.233 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.506 -3.455 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.030 -2.812 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.013 -2.622 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.722 -3.454 -13.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.056 -4.315 -12.404 1.00 0.00 H new ATOM 721 N HIS A 50 2.345 -1.634 -10.970 1.00 0.00 N ATOM 722 CA HIS A 50 2.357 -0.332 -11.626 1.00 0.00 C ATOM 723 C HIS A 50 3.736 0.314 -11.528 1.00 0.00 C ATOM 724 O HIS A 50 3.875 1.528 -11.665 1.00 0.00 O ATOM 725 CB HIS A 50 1.305 0.587 -11.003 1.00 0.00 C ATOM 726 CG HIS A 50 -0.102 0.135 -11.244 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.758 0.322 -12.443 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.980 -0.500 -10.432 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.978 -0.177 -12.357 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.138 -0.682 -11.147 1.00 0.00 N ATOM 0 H HIS A 50 2.014 -1.617 -10.005 1.00 0.00 H new ATOM 0 HA HIS A 50 2.120 -0.482 -12.679 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.479 0.649 -9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.429 1.593 -11.405 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.802 -0.806 -9.412 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.719 -0.173 -13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.984 -1.134 -10.800 1.00 0.00 H new ATOM 738 N GLY A 51 4.753 -0.508 -11.288 1.00 0.00 N ATOM 739 CA GLY A 51 6.107 0.001 -11.175 1.00 0.00 C ATOM 740 C GLY A 51 6.160 1.367 -10.520 1.00 0.00 C ATOM 741 O GLY A 51 6.881 2.256 -10.976 1.00 0.00 O ATOM 0 H GLY A 51 4.663 -1.517 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.708 -0.700 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.554 0.060 -12.167 1.00 0.00 H new ATOM 745 N LEU A 52 5.393 1.538 -9.448 1.00 0.00 N ATOM 746 CA LEU A 52 5.354 2.807 -8.730 1.00 0.00 C ATOM 747 C LEU A 52 6.732 3.167 -8.184 1.00 0.00 C ATOM 748 O LEU A 52 7.305 2.428 -7.384 1.00 0.00 O ATOM 749 CB LEU A 52 4.342 2.735 -7.584 1.00 0.00 C ATOM 750 CG LEU A 52 2.925 2.307 -7.966 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.117 1.967 -6.724 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.236 3.399 -8.772 1.00 0.00 C ATOM 0 H LEU A 52 4.790 0.814 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 52 5.047 3.584 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.721 2.040 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.289 3.715 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 52 2.991 1.413 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.111 1.665 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.600 1.150 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.059 2.842 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.229 3.076 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.181 4.311 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.804 3.593 -9.682 1.00 0.00 H new ATOM 764 N GLU A 53 7.256 4.307 -8.621 1.00 0.00 N ATOM 765 CA GLU A 53 8.567 4.765 -8.174 1.00 0.00 C ATOM 766 C GLU A 53 8.440 5.669 -6.952 1.00 0.00 C ATOM 767 O GLU A 53 7.349 5.852 -6.411 1.00 0.00 O ATOM 768 CB GLU A 53 9.282 5.512 -9.302 1.00 0.00 C ATOM 769 CG GLU A 53 8.411 6.545 -9.997 1.00 0.00 C ATOM 770 CD GLU A 53 9.173 7.352 -11.030 1.00 0.00 C ATOM 771 OE1 GLU A 53 10.415 7.434 -10.920 1.00 0.00 O ATOM 772 OE2 GLU A 53 8.529 7.900 -11.948 1.00 0.00 O ATOM 0 H GLU A 53 6.794 4.930 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 53 9.155 3.890 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.164 6.007 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.633 4.790 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.573 6.042 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.991 7.220 -9.252 1.00 0.00 H new ATOM 779 N PHE A 54 9.563 6.233 -6.520 1.00 0.00 N ATOM 780 CA PHE A 54 9.579 7.116 -5.360 1.00 0.00 C ATOM 781 C PHE A 54 8.285 7.919 -5.271 1.00 0.00 C ATOM 782 O PHE A 54 7.588 7.882 -4.257 1.00 0.00 O ATOM 783 CB PHE A 54 10.777 8.066 -5.432 1.00 0.00 C ATOM 784 CG PHE A 54 10.552 9.370 -4.723 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.164 9.392 -3.393 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.729 10.574 -5.385 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.956 10.591 -2.737 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.523 11.776 -4.734 1.00 0.00 C ATOM 789 CZ PHE A 54 10.135 11.784 -3.409 1.00 0.00 C ATOM 0 H PHE A 54 10.474 6.094 -6.956 1.00 0.00 H new ATOM 0 HA PHE A 54 9.666 6.499 -4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.648 7.573 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.010 8.266 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.022 8.462 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.031 10.574 -6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.654 10.595 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.665 12.708 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.972 12.722 -2.899 1.00 0.00 H new ATOM 799 N TYR A 55 7.970 8.645 -6.338 1.00 0.00 N ATOM 800 CA TYR A 55 6.762 9.459 -6.380 1.00 0.00 C ATOM 801 C TYR A 55 5.528 8.592 -6.608 1.00 0.00 C ATOM 802 O TYR A 55 4.518 8.735 -5.919 1.00 0.00 O ATOM 803 CB TYR A 55 6.869 10.512 -7.484 1.00 0.00 C ATOM 804 CG TYR A 55 7.573 11.777 -7.048 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.087 12.538 -5.992 1.00 0.00 C ATOM 806 CD2 TYR A 55 8.726 12.212 -7.692 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.727 13.695 -5.591 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.373 13.366 -7.296 1.00 0.00 C ATOM 809 CZ TYR A 55 8.869 14.105 -6.246 1.00 0.00 C ATOM 810 OH TYR A 55 9.510 15.256 -5.848 1.00 0.00 O ATOM 0 H TYR A 55 8.535 8.686 -7.186 1.00 0.00 H new ATOM 0 HA TYR A 55 6.659 9.960 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.402 10.084 -8.333 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.867 10.765 -7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.193 12.220 -5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.122 11.637 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.335 14.275 -4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.269 13.688 -7.806 1.00 0.00 H new ATOM 0 HH TYR A 55 10.298 15.403 -6.411 1.00 0.00 H new ATOM 820 N GLY A 56 5.618 7.689 -7.580 1.00 0.00 N ATOM 821 CA GLY A 56 4.503 6.810 -7.882 1.00 0.00 C ATOM 822 C GLY A 56 3.799 6.317 -6.633 1.00 0.00 C ATOM 823 O GLY A 56 2.593 6.505 -6.477 1.00 0.00 O ATOM 0 H GLY A 56 6.443 7.551 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.789 7.338 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.863 5.955 -8.454 1.00 0.00 H new ATOM 827 N TYR A 57 4.554 5.682 -5.743 1.00 0.00 N ATOM 828 CA TYR A 57 3.994 5.155 -4.504 1.00 0.00 C ATOM 829 C TYR A 57 3.223 6.236 -3.752 1.00 0.00 C ATOM 830 O TYR A 57 2.121 5.998 -3.258 1.00 0.00 O ATOM 831 CB TYR A 57 5.105 4.594 -3.616 1.00 0.00 C ATOM 832 CG TYR A 57 4.697 4.425 -2.170 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.895 3.361 -1.774 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.113 5.328 -1.199 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.520 3.202 -0.454 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.743 5.176 0.123 1.00 0.00 C ATOM 837 CZ TYR A 57 3.946 4.112 0.491 1.00 0.00 C ATOM 838 OH TYR A 57 3.575 3.958 1.807 1.00 0.00 O ATOM 0 H TYR A 57 5.555 5.520 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 57 3.303 4.352 -4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.421 3.629 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.968 5.257 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.559 2.646 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.736 6.163 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.896 2.369 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.076 5.887 0.865 1.00 0.00 H new ATOM 0 HH TYR A 57 4.072 4.594 2.363 1.00 0.00 H new ATOM 848 N ILE A 58 3.812 7.425 -3.670 1.00 0.00 N ATOM 849 CA ILE A 58 3.181 8.543 -2.981 1.00 0.00 C ATOM 850 C ILE A 58 1.788 8.818 -3.538 1.00 0.00 C ATOM 851 O ILE A 58 0.825 8.967 -2.786 1.00 0.00 O ATOM 852 CB ILE A 58 4.028 9.824 -3.093 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.429 9.587 -2.524 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.345 10.976 -2.371 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.403 10.702 -2.834 1.00 0.00 C ATOM 0 H ILE A 58 4.725 7.638 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 58 3.100 8.261 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 58 4.124 10.087 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.358 9.468 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.821 8.651 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.956 11.874 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.367 11.157 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.222 10.723 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.375 10.467 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.504 10.807 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.033 11.636 -2.411 1.00 0.00 H new ATOM 867 N LYS A 59 1.689 8.881 -4.861 1.00 0.00 N ATOM 868 CA LYS A 59 0.414 9.134 -5.522 1.00 0.00 C ATOM 869 C LYS A 59 -0.587 8.024 -5.217 1.00 0.00 C ATOM 870 O LYS A 59 -1.760 8.288 -4.948 1.00 0.00 O ATOM 871 CB LYS A 59 0.614 9.253 -7.034 1.00 0.00 C ATOM 872 CG LYS A 59 1.576 10.358 -7.436 1.00 0.00 C ATOM 873 CD LYS A 59 1.550 10.603 -8.935 1.00 0.00 C ATOM 874 CE LYS A 59 2.788 11.356 -9.398 1.00 0.00 C ATOM 875 NZ LYS A 59 3.070 11.122 -10.842 1.00 0.00 N ATOM 0 H LYS A 59 2.477 8.760 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 59 0.016 10.074 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.984 8.303 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.351 9.434 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.315 11.277 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.587 10.091 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.485 9.650 -9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.658 11.172 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.651 12.423 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.647 11.043 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.921 11.652 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.226 10.107 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.261 11.444 -11.410 1.00 0.00 H new ATOM 889 N LEU A 60 -0.117 6.782 -5.259 1.00 0.00 N ATOM 890 CA LEU A 60 -0.971 5.631 -4.985 1.00 0.00 C ATOM 891 C LEU A 60 -1.670 5.780 -3.638 1.00 0.00 C ATOM 892 O LEU A 60 -2.881 5.584 -3.531 1.00 0.00 O ATOM 893 CB LEU A 60 -0.146 4.343 -5.005 1.00 0.00 C ATOM 894 CG LEU A 60 -0.927 3.043 -4.810 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.282 2.849 -3.344 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.182 3.041 -5.670 1.00 0.00 C ATOM 0 H LEU A 60 0.850 6.546 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.732 5.580 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.381 4.287 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.612 4.409 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.296 2.211 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.838 1.919 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.368 2.805 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.895 3.684 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.725 2.108 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.817 3.881 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.904 3.132 -6.720 1.00 0.00 H new ATOM 908 N ILE A 61 -0.900 6.130 -2.613 1.00 0.00 N ATOM 909 CA ILE A 61 -1.447 6.309 -1.274 1.00 0.00 C ATOM 910 C ILE A 61 -2.431 7.473 -1.232 1.00 0.00 C ATOM 911 O ILE A 61 -3.627 7.280 -1.016 1.00 0.00 O ATOM 912 CB ILE A 61 -0.333 6.556 -0.240 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.728 5.457 -0.327 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.918 6.625 1.163 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.260 4.122 0.209 1.00 0.00 C ATOM 0 H ILE A 61 0.104 6.295 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.969 5.386 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 61 0.142 7.511 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.030 5.336 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.612 5.772 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.118 6.800 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.639 7.440 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.416 5.684 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.063 3.391 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.015 4.227 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.606 3.785 -0.361 1.00 0.00 H new ATOM 927 N ASN A 62 -1.920 8.681 -1.444 1.00 0.00 N ATOM 928 CA ASN A 62 -2.754 9.877 -1.432 1.00 0.00 C ATOM 929 C ASN A 62 -3.993 9.685 -2.301 1.00 0.00 C ATOM 930 O ASN A 62 -5.071 10.190 -1.986 1.00 0.00 O ATOM 931 CB ASN A 62 -1.956 11.086 -1.923 1.00 0.00 C ATOM 932 CG ASN A 62 -0.933 11.555 -0.907 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.082 11.323 0.293 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.114 12.219 -1.384 1.00 0.00 N ATOM 0 H ASN A 62 -0.932 8.858 -1.626 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.075 10.055 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.449 10.830 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.641 11.903 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.835 12.559 -0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.197 12.389 -2.386 1.00 0.00 H new ATOM 941 N PHE A 63 -3.832 8.950 -3.397 1.00 0.00 N ATOM 942 CA PHE A 63 -4.937 8.691 -4.313 1.00 0.00 C ATOM 943 C PHE A 63 -6.118 8.065 -3.577 1.00 0.00 C ATOM 944 O PHE A 63 -7.258 8.506 -3.724 1.00 0.00 O ATOM 945 CB PHE A 63 -4.482 7.769 -5.446 1.00 0.00 C ATOM 946 CG PHE A 63 -5.604 6.994 -6.076 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.383 7.562 -7.070 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.880 5.698 -5.672 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.417 6.852 -7.652 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.912 4.982 -6.251 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.682 5.561 -7.241 1.00 0.00 C ATOM 0 H PHE A 63 -2.947 8.523 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.258 9.644 -4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.988 8.366 -6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.741 7.070 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.180 8.572 -7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.283 5.242 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.016 7.307 -8.427 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.116 3.971 -5.929 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.490 5.005 -7.693 1.00 0.00 H new ATOM 961 N ILE A 64 -5.836 7.036 -2.785 1.00 0.00 N ATOM 962 CA ILE A 64 -6.874 6.350 -2.026 1.00 0.00 C ATOM 963 C ILE A 64 -7.454 7.256 -0.945 1.00 0.00 C ATOM 964 O ILE A 64 -8.578 7.053 -0.487 1.00 0.00 O ATOM 965 CB ILE A 64 -6.336 5.066 -1.369 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.635 4.190 -2.410 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.466 4.300 -0.698 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.027 2.932 -1.830 1.00 0.00 C ATOM 0 H ILE A 64 -4.897 6.659 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.659 6.084 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.609 5.343 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.352 3.914 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.852 4.772 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.069 3.395 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.925 4.925 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.215 4.030 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.547 2.360 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.286 3.200 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.809 2.328 -1.370 1.00 0.00 H new ATOM 980 N ARG A 65 -6.679 8.258 -0.542 1.00 0.00 N ATOM 981 CA ARG A 65 -7.115 9.196 0.485 1.00 0.00 C ATOM 982 C ARG A 65 -8.142 10.176 -0.074 1.00 0.00 C ATOM 983 O ARG A 65 -9.113 10.525 0.598 1.00 0.00 O ATOM 984 CB ARG A 65 -5.917 9.963 1.048 1.00 0.00 C ATOM 985 CG ARG A 65 -4.759 9.068 1.458 1.00 0.00 C ATOM 986 CD ARG A 65 -4.987 8.455 2.831 1.00 0.00 C ATOM 987 NE ARG A 65 -3.734 8.228 3.545 1.00 0.00 N ATOM 988 CZ ARG A 65 -3.653 7.577 4.700 1.00 0.00 C ATOM 989 NH1 ARG A 65 -4.748 7.091 5.268 1.00 0.00 N ATOM 990 NH2 ARG A 65 -2.476 7.411 5.288 1.00 0.00 N ATOM 0 H ARG A 65 -5.746 8.441 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.582 8.625 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.568 10.675 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.241 10.542 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.632 8.275 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.835 9.647 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.626 9.113 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.518 7.509 2.722 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.873 8.589 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.655 7.217 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.684 6.591 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.632 7.783 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.415 6.911 6.175 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.922 10.615 -1.308 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.828 11.555 -1.959 1.00 0.00 C ATOM 1006 C LEU A 66 -10.020 10.827 -2.573 1.00 0.00 C ATOM 1007 O LEU A 66 -11.172 11.120 -2.252 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.086 12.344 -3.040 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.759 13.634 -3.510 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.715 14.667 -3.906 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.701 13.353 -4.671 1.00 0.00 C ATOM 0 H LEU A 66 -7.124 10.335 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.199 12.247 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.093 12.592 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.947 11.695 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.344 14.037 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.212 15.578 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.081 14.891 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.102 14.273 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.171 14.283 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.138 12.926 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.470 12.649 -4.353 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.734 9.876 -3.455 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.782 9.102 -4.112 1.00 0.00 C ATOM 1025 C LYS A 67 -11.503 8.204 -3.111 1.00 0.00 C ATOM 1026 O LYS A 67 -12.724 8.262 -2.980 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.187 8.254 -5.238 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.683 9.072 -6.414 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.828 9.563 -7.284 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.326 10.421 -8.435 1.00 0.00 C ATOM 1031 NZ LYS A 67 -10.275 11.864 -8.071 1.00 0.00 N ATOM 0 H LYS A 67 -8.786 9.622 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.505 9.800 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.364 7.661 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.943 7.553 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.112 9.925 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.003 8.467 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.378 8.709 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.526 10.139 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.332 10.086 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.978 10.287 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.723 12.427 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.782 12.014 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.284 12.159 -7.961 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.738 7.376 -2.408 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.305 6.466 -1.418 1.00 0.00 C ATOM 1047 C ASN A 68 -12.103 5.356 -2.095 1.00 0.00 C ATOM 1048 O ASN A 68 -13.234 5.052 -1.716 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.201 7.233 -0.444 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.538 8.491 0.083 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.797 9.593 -0.401 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -10.677 8.332 1.082 1.00 0.00 N ATOM 0 H ASN A 68 -9.724 7.316 -2.505 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.483 6.013 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.133 7.499 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.462 6.585 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.201 9.142 1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.492 7.400 1.453 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.500 4.734 -3.119 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.136 3.647 -3.869 1.00 0.00 C ATOM 1061 C PRO A 69 -12.266 2.371 -3.044 1.00 0.00 C ATOM 1062 O PRO A 69 -12.116 2.392 -1.821 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.186 3.426 -5.049 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.861 3.906 -4.563 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.152 5.044 -3.624 1.00 0.00 C ATOM 0 HA PRO A 69 -13.154 3.899 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.146 2.375 -5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.511 3.982 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.320 3.109 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.237 4.235 -5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.422 5.095 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.127 6.005 -4.137 1.00 0.00 H new ATOM 1073 N THR A 70 -12.544 1.260 -3.719 1.00 0.00 N ATOM 1074 CA THR A 70 -12.695 -0.025 -3.048 1.00 0.00 C ATOM 1075 C THR A 70 -11.684 -1.039 -3.570 1.00 0.00 C ATOM 1076 O THR A 70 -11.254 -0.966 -4.721 1.00 0.00 O ATOM 1077 CB THR A 70 -14.115 -0.591 -3.230 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.225 -1.860 -2.575 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.450 -0.746 -4.706 1.00 0.00 C ATOM 0 H THR A 70 -12.669 1.224 -4.731 1.00 0.00 H new ATOM 0 HA THR A 70 -12.516 0.149 -1.987 1.00 0.00 H new ATOM 0 HB THR A 70 -14.821 0.109 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.132 -2.212 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.458 -1.147 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.394 0.226 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.738 -1.428 -5.171 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.308 -1.986 -2.716 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.349 -3.018 -3.093 1.00 0.00 C ATOM 1089 C VAL A 71 -10.611 -3.523 -4.507 1.00 0.00 C ATOM 1090 O VAL A 71 -9.697 -3.604 -5.327 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.394 -4.209 -2.118 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.429 -5.298 -2.560 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.081 -3.750 -0.702 1.00 0.00 C ATOM 0 H VAL A 71 -11.653 -2.060 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.360 -2.561 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.401 -4.625 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.475 -6.131 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.704 -5.646 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.415 -4.898 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.117 -4.604 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.085 -3.308 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.816 -3.008 -0.389 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.867 -3.860 -4.786 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.249 -4.357 -6.102 1.00 0.00 C ATOM 1105 C GLU A 72 -11.834 -3.377 -7.196 1.00 0.00 C ATOM 1106 O GLU A 72 -11.201 -3.760 -8.180 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.759 -4.597 -6.163 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.171 -5.995 -5.735 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.645 -6.266 -5.968 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.140 -5.951 -7.070 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.303 -6.793 -5.047 1.00 0.00 O ATOM 0 H GLU A 72 -12.636 -3.798 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.731 -5.302 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.260 -3.869 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.105 -4.421 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.580 -6.728 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.944 -6.129 -4.677 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.196 -2.112 -7.016 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.865 -1.077 -7.988 1.00 0.00 C ATOM 1120 C TYR A 73 -10.360 -1.017 -8.229 1.00 0.00 C ATOM 1121 O TYR A 73 -9.908 -0.853 -9.362 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.370 0.285 -7.506 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.604 1.453 -8.085 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -10.297 1.715 -7.693 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -12.189 2.296 -9.023 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -9.594 2.782 -8.219 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -11.493 3.364 -9.554 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.196 3.603 -9.149 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.500 4.668 -9.676 1.00 0.00 O ATOM 0 H TYR A 73 -12.719 -1.778 -6.206 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.356 -1.327 -8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.423 0.386 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.307 0.323 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.823 1.074 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.204 2.113 -9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.579 2.972 -7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.962 4.009 -10.283 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.067 5.145 -10.317 1.00 0.00 H new ATOM 1139 N MET A 74 -9.589 -1.153 -7.155 1.00 0.00 N ATOM 1140 CA MET A 74 -8.134 -1.117 -7.249 1.00 0.00 C ATOM 1141 C MET A 74 -7.626 -2.179 -8.219 1.00 0.00 C ATOM 1142 O MET A 74 -6.473 -2.142 -8.645 1.00 0.00 O ATOM 1143 CB MET A 74 -7.507 -1.328 -5.870 1.00 0.00 C ATOM 1144 CG MET A 74 -7.648 -0.127 -4.948 1.00 0.00 C ATOM 1145 SD MET A 74 -7.000 1.389 -5.678 1.00 0.00 S ATOM 1146 CE MET A 74 -5.248 1.018 -5.727 1.00 0.00 C ATOM 0 H MET A 74 -9.947 -1.289 -6.210 1.00 0.00 H new ATOM 0 HA MET A 74 -7.843 -0.136 -7.626 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.970 -2.194 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.449 -1.559 -5.993 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.700 0.014 -4.700 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.125 -0.328 -4.013 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.699 1.783 -5.178 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.069 0.045 -5.270 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.909 1.001 -6.763 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.494 -3.124 -8.563 1.00 0.00 N ATOM 1157 CA ASN A 75 -8.132 -4.197 -9.483 1.00 0.00 C ATOM 1158 C ASN A 75 -8.692 -3.931 -10.877 1.00 0.00 C ATOM 1159 O ASN A 75 -8.806 -4.842 -11.696 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.648 -5.539 -8.961 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.694 -6.182 -7.973 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.498 -6.306 -8.239 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.220 -6.593 -6.825 1.00 0.00 N ATOM 0 H ASN A 75 -9.453 -3.169 -8.219 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.045 -4.234 -9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.616 -5.391 -8.483 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.807 -6.215 -9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.627 -7.032 -6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.217 -6.470 -6.648 1.00 0.00 H new ATOM 1170 N SER A 76 -9.040 -2.675 -11.139 1.00 0.00 N ATOM 1171 CA SER A 76 -9.591 -2.288 -12.433 1.00 0.00 C ATOM 1172 C SER A 76 -8.907 -1.031 -12.961 1.00 0.00 C ATOM 1173 O SER A 76 -9.556 -0.148 -13.523 1.00 0.00 O ATOM 1174 CB SER A 76 -11.098 -2.054 -12.319 1.00 0.00 C ATOM 1175 OG SER A 76 -11.375 -0.790 -11.740 1.00 0.00 O ATOM 0 H SER A 76 -8.950 -1.908 -10.473 1.00 0.00 H new ATOM 0 HA SER A 76 -9.409 -3.101 -13.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.554 -2.113 -13.307 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.547 -2.841 -11.713 1.00 0.00 H new ATOM 0 HG SER A 76 -10.901 -0.710 -10.886 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.593 -0.957 -12.775 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.821 0.191 -13.233 1.00 0.00 C ATOM 1183 C ILE A 77 -5.811 -0.216 -14.300 1.00 0.00 C ATOM 1184 O ILE A 77 -5.329 -1.349 -14.313 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.075 0.869 -12.068 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.064 1.593 -11.153 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.030 1.838 -12.600 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.656 0.706 -10.080 1.00 0.00 C ATOM 0 H ILE A 77 -7.041 -1.678 -12.310 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.532 0.899 -13.660 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.566 0.101 -11.486 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.559 2.435 -10.679 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.871 2.005 -11.758 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.512 2.309 -11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.311 1.296 -13.214 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.518 2.604 -13.203 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.348 1.286 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.190 -0.122 -10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.857 0.314 -9.450 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.495 0.715 -15.193 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.542 0.454 -16.265 1.00 0.00 C ATOM 1202 C TYR A 78 -4.005 1.758 -16.847 1.00 0.00 C ATOM 1203 O TYR A 78 -4.770 2.655 -17.199 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.200 -0.377 -17.368 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.050 -1.513 -16.845 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.356 -1.292 -16.425 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -5.548 -2.806 -16.771 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.137 -2.326 -15.946 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -6.321 -3.847 -16.294 1.00 0.00 C ATOM 1210 CZ TYR A 78 -7.615 -3.602 -15.883 1.00 0.00 C ATOM 1211 OH TYR A 78 -8.389 -4.635 -15.407 1.00 0.00 O ATOM 0 H TYR A 78 -5.885 1.657 -15.196 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.706 -0.106 -15.846 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.820 0.276 -17.983 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.424 -0.784 -18.017 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.768 -0.295 -16.474 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.535 -3.001 -17.092 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.150 -2.137 -15.623 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.915 -4.846 -16.243 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.873 -5.468 -15.429 1.00 0.00 H new ATOM 1221 N ASN A 79 -2.683 1.854 -16.946 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.042 3.047 -17.485 1.00 0.00 C ATOM 1223 C ASN A 79 -2.829 3.601 -18.668 1.00 0.00 C ATOM 1224 O ASN A 79 -3.170 2.884 -19.609 1.00 0.00 O ATOM 1225 CB ASN A 79 -0.608 2.731 -17.916 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.547 1.631 -18.958 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.704 2.005 -20.222 1.00 0.00 O flip ATOM 1228 ND2 ASN A 79 -0.360 0.459 -18.630 1.00 0.00 N flip ATOM 0 H ASN A 79 -2.035 1.120 -16.660 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.021 3.803 -16.700 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.145 3.633 -18.316 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.026 2.434 -17.043 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.244 0.217 -17.646 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.321 -0.270 -19.342 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.126 4.908 -18.622 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.726 5.772 -17.507 1.00 0.00 C ATOM 1237 C PRO A 80 -3.488 5.454 -16.225 1.00 0.00 C ATOM 1238 O PRO A 80 -4.651 5.052 -16.266 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.077 7.177 -18.003 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.164 6.966 -19.000 1.00 0.00 C ATOM 1241 CD PRO A 80 -3.875 5.644 -19.655 1.00 0.00 C ATOM 0 HA PRO A 80 -1.674 5.646 -17.251 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.409 7.815 -17.184 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.213 7.664 -18.456 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.141 6.956 -18.516 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.180 7.770 -19.735 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.792 5.124 -19.933 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.289 5.766 -20.566 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.826 5.636 -15.088 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.441 5.370 -13.793 1.00 0.00 C ATOM 1251 C VAL A 81 -4.215 6.585 -13.292 1.00 0.00 C ATOM 1252 O VAL A 81 -3.890 7.731 -13.605 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.388 4.976 -12.741 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.759 3.636 -13.090 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.325 6.058 -12.621 1.00 0.00 C ATOM 0 H VAL A 81 -1.863 5.967 -15.037 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.130 4.537 -13.935 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.884 4.876 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.017 3.375 -12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.532 2.868 -13.121 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.276 3.704 -14.065 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.589 5.763 -11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.831 6.191 -13.584 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.792 6.996 -12.320 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.263 6.331 -12.495 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.104 7.392 -11.932 1.00 0.00 C ATOM 1267 C PRO A 82 -5.373 8.212 -10.875 1.00 0.00 C ATOM 1268 O PRO A 82 -5.922 9.170 -10.329 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.269 6.624 -11.302 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.714 5.275 -11.000 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.707 4.990 -12.080 1.00 0.00 C ATOM 0 HA PRO A 82 -6.411 8.114 -12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.625 7.117 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.116 6.560 -11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.246 5.257 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.502 4.522 -10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.877 4.389 -11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.152 4.440 -12.909 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.133 7.831 -10.590 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.327 8.533 -9.598 1.00 0.00 C ATOM 1281 C TRP A 83 -2.086 9.145 -10.239 1.00 0.00 C ATOM 1282 O TRP A 83 -1.098 9.421 -9.559 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.918 7.578 -8.475 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.021 6.469 -8.936 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.695 6.563 -9.248 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.386 5.099 -9.139 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.214 5.335 -9.632 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.231 4.420 -9.573 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.576 4.381 -8.994 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.234 3.058 -9.864 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.577 3.029 -9.283 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.412 2.379 -9.713 1.00 0.00 C ATOM 0 H TRP A 83 -3.664 7.040 -11.032 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.931 9.338 -9.179 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.412 8.144 -7.693 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.815 7.149 -8.028 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.110 7.470 -9.200 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.746 5.137 -9.915 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.478 4.873 -8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.338 2.556 -10.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.491 2.464 -9.176 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.445 1.321 -9.929 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.145 9.355 -11.550 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.024 9.934 -12.281 1.00 0.00 C ATOM 1305 C GLU A 84 -1.164 11.451 -12.379 1.00 0.00 C ATOM 1306 O GLU A 84 -0.888 12.045 -13.421 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.932 9.328 -13.683 1.00 0.00 C ATOM 1308 CG GLU A 84 0.124 8.244 -13.809 1.00 0.00 C ATOM 1309 CD GLU A 84 1.453 8.779 -14.307 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.792 9.932 -13.968 1.00 0.00 O ATOM 1311 OE2 GLU A 84 2.154 8.045 -15.035 1.00 0.00 O ATOM 0 H GLU A 84 -2.956 9.133 -12.127 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.110 9.705 -11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.902 8.912 -13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.714 10.121 -14.399 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.269 7.768 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.232 7.473 -14.492 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.595 12.071 -11.286 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.771 13.518 -11.246 1.00 0.00 C ATOM 1320 C LYS A 85 -0.934 14.137 -10.132 1.00 0.00 C ATOM 1321 O LYS A 85 -0.775 13.550 -9.061 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.248 13.866 -11.042 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.173 13.208 -12.051 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.070 13.868 -13.416 1.00 0.00 C ATOM 1325 CE LYS A 85 -4.844 13.091 -14.470 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.178 13.938 -15.649 1.00 0.00 N ATOM 0 H LYS A 85 -1.829 11.594 -10.415 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.435 13.927 -12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.548 13.567 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.369 14.948 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.925 12.150 -12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.201 13.266 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.453 14.887 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.023 13.938 -13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.255 12.233 -14.794 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.762 12.700 -14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.705 13.372 -16.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.761 14.743 -15.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.301 14.291 -16.083 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.402 15.327 -10.390 1.00 0.00 N ATOM 1341 CA ASP A 86 0.417 16.028 -9.408 1.00 0.00 C ATOM 1342 C ASP A 86 -0.357 16.247 -8.112 1.00 0.00 C ATOM 1343 O ASP A 86 0.130 15.931 -7.026 1.00 0.00 O ATOM 1344 CB ASP A 86 0.888 17.370 -9.969 1.00 0.00 C ATOM 1345 CG ASP A 86 -0.256 18.342 -10.180 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -1.088 18.093 -11.078 1.00 0.00 O ATOM 1347 OD2 ASP A 86 -0.320 19.352 -9.448 1.00 0.00 O ATOM 0 H ASP A 86 -0.523 15.826 -11.271 1.00 0.00 H new ATOM 0 HA ASP A 86 1.288 15.410 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.615 17.811 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.400 17.205 -10.917 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.563 16.791 -8.234 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.403 17.055 -7.071 1.00 0.00 C ATOM 1354 C GLU A 87 -2.263 15.942 -6.036 1.00 0.00 C ATOM 1355 O GLU A 87 -2.244 16.199 -4.832 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.868 17.193 -7.493 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.126 18.367 -8.421 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.561 18.851 -8.364 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.178 18.750 -7.283 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.068 19.331 -9.400 1.00 0.00 O ATOM 0 H GLU A 87 -1.981 17.058 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.073 17.991 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.183 16.274 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.485 17.303 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.459 19.188 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.885 18.077 -9.444 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.166 14.707 -6.513 1.00 0.00 N ATOM 1368 CA TYR A 88 -2.031 13.554 -5.630 1.00 0.00 C ATOM 1369 C TYR A 88 -0.718 13.613 -4.856 1.00 0.00 C ATOM 1370 O TYR A 88 -0.675 13.319 -3.660 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.103 12.256 -6.436 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.496 11.919 -6.918 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.536 11.723 -6.017 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.773 11.796 -8.274 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.810 11.414 -6.452 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.045 11.489 -8.718 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.059 11.299 -7.804 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.327 10.992 -8.242 1.00 0.00 O ATOM 0 H TYR A 88 -2.178 14.478 -7.507 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.855 13.576 -4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.439 12.335 -7.297 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.732 11.436 -5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.345 11.814 -4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.981 11.943 -8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.606 11.263 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.244 11.398 -9.776 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.281 10.258 -8.889 1.00 0.00 H new ATOM 1388 N LEU A 89 0.351 13.995 -5.545 1.00 0.00 N ATOM 1389 CA LEU A 89 1.667 14.093 -4.923 1.00 0.00 C ATOM 1390 C LEU A 89 1.567 14.713 -3.533 1.00 0.00 C ATOM 1391 O LEU A 89 2.259 14.295 -2.604 1.00 0.00 O ATOM 1392 CB LEU A 89 2.606 14.926 -5.799 1.00 0.00 C ATOM 1393 CG LEU A 89 3.031 14.288 -7.122 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.514 15.351 -8.096 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.114 13.245 -6.887 1.00 0.00 C ATOM 0 H LEU A 89 0.333 14.242 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 89 2.071 13.085 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.119 15.877 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.503 15.152 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 89 2.165 13.791 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.812 14.878 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.709 16.061 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.367 15.877 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.404 12.801 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.982 13.719 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.733 12.467 -6.225 1.00 0.00 H new ATOM 1407 N LYS A 90 0.701 15.711 -3.396 1.00 0.00 N ATOM 1408 CA LYS A 90 0.507 16.387 -2.119 1.00 0.00 C ATOM 1409 C LYS A 90 -0.122 15.446 -1.096 1.00 0.00 C ATOM 1410 O LYS A 90 -1.028 14.671 -1.404 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.376 17.623 -2.302 1.00 0.00 C ATOM 1412 CG LYS A 90 0.383 18.847 -2.783 1.00 0.00 C ATOM 1413 CD LYS A 90 0.484 18.880 -4.299 1.00 0.00 C ATOM 1414 CE LYS A 90 1.075 20.193 -4.789 1.00 0.00 C ATOM 1415 NZ LYS A 90 1.188 20.230 -6.274 1.00 0.00 N ATOM 0 H LYS A 90 0.122 16.070 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 90 1.484 16.698 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.166 17.392 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.861 17.856 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.118 19.749 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.384 18.849 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.103 18.051 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.506 18.740 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.451 21.021 -4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.061 20.335 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.595 21.141 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.804 19.456 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.244 20.120 -6.697 1.00 0.00 H new ATOM 1429 N PRO A 91 0.366 15.515 0.152 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.135 14.678 1.245 1.00 0.00 C ATOM 1431 C PRO A 91 -1.547 15.066 1.672 1.00 0.00 C ATOM 1432 O PRO A 91 -1.733 15.964 2.494 1.00 0.00 O ATOM 1433 CB PRO A 91 0.858 14.943 2.379 1.00 0.00 C ATOM 1434 CG PRO A 91 1.413 16.295 2.089 1.00 0.00 C ATOM 1435 CD PRO A 91 1.446 16.415 0.590 1.00 0.00 C ATOM 0 HA PRO A 91 -0.203 13.629 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.365 14.918 3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.644 14.189 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.792 17.075 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.412 16.406 2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.271 17.441 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.411 16.112 0.184 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.539 14.384 1.109 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.934 14.657 1.432 1.00 0.00 C ATOM 1445 C VAL A 92 -4.114 14.902 2.926 1.00 0.00 C ATOM 1446 O VAL A 92 -4.963 15.694 3.339 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.848 13.495 1.001 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.294 13.784 1.374 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.716 13.240 -0.493 1.00 0.00 C ATOM 0 H VAL A 92 -2.402 13.638 0.427 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.216 15.555 0.882 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.535 12.595 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.924 12.951 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.373 13.913 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.623 14.695 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.369 12.416 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.002 14.137 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.683 12.984 -0.729 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.310 14.219 3.733 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.380 14.363 5.183 1.00 0.00 C ATOM 1461 C LEU A 93 -2.121 15.034 5.725 1.00 0.00 C ATOM 1462 O LEU A 93 -1.253 15.453 4.961 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.566 12.995 5.843 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.426 11.991 5.075 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.559 11.127 4.171 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.224 11.125 6.038 1.00 0.00 C ATOM 0 H LEU A 93 -2.602 13.560 3.408 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.237 14.994 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.582 12.554 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.010 13.146 6.827 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.127 12.545 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.188 10.418 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.033 11.761 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.834 10.582 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.830 10.417 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.540 10.580 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.874 11.757 6.643 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.030 15.129 7.048 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.877 15.748 7.690 1.00 0.00 C ATOM 1480 C GLU A 94 0.014 14.694 8.341 1.00 0.00 C ATOM 1481 O GLU A 94 -0.470 13.678 8.839 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.334 16.763 8.740 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.360 17.912 8.941 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.430 18.498 10.338 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -0.576 17.719 11.303 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.337 19.737 10.466 1.00 0.00 O ATOM 0 H GLU A 94 -2.740 14.786 7.695 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.300 16.264 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.303 17.166 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.478 16.250 9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.654 17.562 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.571 18.694 8.212 1.00 0.00 H new ATOM 1493 N ASP A 95 1.319 14.944 8.331 1.00 0.00 N ATOM 1494 CA ASP A 95 2.279 14.017 8.920 1.00 0.00 C ATOM 1495 C ASP A 95 2.000 12.587 8.470 1.00 0.00 C ATOM 1496 O ASP A 95 1.925 11.671 9.289 1.00 0.00 O ATOM 1497 CB ASP A 95 2.233 14.103 10.446 1.00 0.00 C ATOM 1498 CG ASP A 95 3.550 13.713 11.088 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.285 12.903 10.486 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.844 14.217 12.192 1.00 0.00 O ATOM 0 H ASP A 95 1.736 15.780 7.922 1.00 0.00 H new ATOM 0 HA ASP A 95 3.275 14.298 8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.975 15.120 10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.443 13.452 10.820 1.00 0.00 H new ATOM 1505 N ASP A 96 1.846 12.402 7.163 1.00 0.00 N ATOM 1506 CA ASP A 96 1.575 11.083 6.604 1.00 0.00 C ATOM 1507 C ASP A 96 2.781 10.164 6.771 1.00 0.00 C ATOM 1508 O ASP A 96 3.840 10.399 6.187 1.00 0.00 O ATOM 1509 CB ASP A 96 1.207 11.199 5.124 1.00 0.00 C ATOM 1510 CG ASP A 96 0.399 12.446 4.824 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.910 13.558 5.071 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.746 12.310 4.342 1.00 0.00 O ATOM 0 H ASP A 96 1.904 13.149 6.471 1.00 0.00 H new ATOM 0 HA ASP A 96 0.734 10.651 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.118 11.207 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.637 10.320 4.824 1.00 0.00 H new ATOM 1517 N LEU A 97 2.614 9.117 7.572 1.00 0.00 N ATOM 1518 CA LEU A 97 3.689 8.162 7.817 1.00 0.00 C ATOM 1519 C LEU A 97 3.923 7.281 6.594 1.00 0.00 C ATOM 1520 O LEU A 97 5.065 7.038 6.200 1.00 0.00 O ATOM 1521 CB LEU A 97 3.359 7.293 9.031 1.00 0.00 C ATOM 1522 CG LEU A 97 3.037 8.041 10.325 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.522 7.079 11.384 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.265 8.786 10.829 1.00 0.00 C ATOM 0 H LEU A 97 1.745 8.908 8.063 1.00 0.00 H new ATOM 0 HA LEU A 97 4.602 8.723 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.508 6.661 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.204 6.630 9.219 1.00 0.00 H new ATOM 0 HG LEU A 97 2.254 8.770 10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.298 7.630 12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.616 6.591 11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.282 6.325 11.591 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.018 9.313 11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.068 8.075 11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.589 9.504 10.076 1.00 0.00 H new ATOM 1536 N LEU A 98 2.836 6.805 5.997 1.00 0.00 N ATOM 1537 CA LEU A 98 2.923 5.952 4.817 1.00 0.00 C ATOM 1538 C LEU A 98 3.795 6.594 3.743 1.00 0.00 C ATOM 1539 O LEU A 98 4.766 5.996 3.277 1.00 0.00 O ATOM 1540 CB LEU A 98 1.525 5.677 4.259 1.00 0.00 C ATOM 1541 CG LEU A 98 0.519 5.071 5.237 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.890 5.147 4.669 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.889 3.631 5.559 1.00 0.00 C ATOM 0 H LEU A 98 1.884 6.995 6.311 1.00 0.00 H new ATOM 0 HA LEU A 98 3.382 5.009 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.115 6.614 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.622 5.005 3.406 1.00 0.00 H new ATOM 0 HG LEU A 98 0.548 5.648 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.593 4.711 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.155 6.189 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.934 4.595 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.162 3.216 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.890 3.042 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.881 3.602 6.009 1.00 0.00 H new ATOM 1555 N LEU A 99 3.444 7.816 3.356 1.00 0.00 N ATOM 1556 CA LEU A 99 4.196 8.541 2.338 1.00 0.00 C ATOM 1557 C LEU A 99 5.683 8.572 2.679 1.00 0.00 C ATOM 1558 O LEU A 99 6.530 8.672 1.791 1.00 0.00 O ATOM 1559 CB LEU A 99 3.663 9.968 2.203 1.00 0.00 C ATOM 1560 CG LEU A 99 2.404 10.136 1.350 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.258 9.319 1.924 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.018 11.605 1.252 1.00 0.00 C ATOM 0 H LEU A 99 2.644 8.325 3.732 1.00 0.00 H new ATOM 0 HA LEU A 99 4.070 8.021 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.455 10.353 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.451 10.590 1.779 1.00 0.00 H new ATOM 0 HG LEU A 99 2.617 9.769 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.371 9.451 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.535 8.265 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.045 9.654 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.121 11.705 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.824 11.998 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.833 12.166 0.794 1.00 0.00 H new ATOM 1574 N GLN A 100 5.991 8.484 3.968 1.00 0.00 N ATOM 1575 CA GLN A 100 7.376 8.501 4.425 1.00 0.00 C ATOM 1576 C GLN A 100 8.013 7.123 4.280 1.00 0.00 C ATOM 1577 O GLN A 100 9.210 7.006 4.012 1.00 0.00 O ATOM 1578 CB GLN A 100 7.449 8.959 5.882 1.00 0.00 C ATOM 1579 CG GLN A 100 6.952 10.379 6.100 1.00 0.00 C ATOM 1580 CD GLN A 100 6.772 10.716 7.567 1.00 0.00 C ATOM 1581 OE1 GLN A 100 5.666 10.639 8.102 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.862 11.092 8.226 1.00 0.00 N ATOM 0 H GLN A 100 5.301 8.400 4.715 1.00 0.00 H new ATOM 0 HA GLN A 100 7.929 9.205 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.861 8.279 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.481 8.888 6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.658 11.079 5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.002 10.511 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.759 11.142 7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.803 11.331 9.216 1.00 0.00 H new ATOM 1591 N PHE A 101 7.207 6.082 4.458 1.00 0.00 N ATOM 1592 CA PHE A 101 7.693 4.711 4.348 1.00 0.00 C ATOM 1593 C PHE A 101 8.693 4.578 3.203 1.00 0.00 C ATOM 1594 O PHE A 101 8.420 4.989 2.075 1.00 0.00 O ATOM 1595 CB PHE A 101 6.523 3.749 4.133 1.00 0.00 C ATOM 1596 CG PHE A 101 6.952 2.334 3.866 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.379 1.952 2.605 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.928 1.387 4.877 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.774 0.650 2.357 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.322 0.084 4.635 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.746 -0.284 3.373 1.00 0.00 C ATOM 0 H PHE A 101 6.214 6.161 4.679 1.00 0.00 H new ATOM 0 HA PHE A 101 8.198 4.455 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.882 3.766 5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.922 4.102 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.404 2.679 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.598 1.670 5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.104 0.364 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.298 -0.645 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.055 -1.301 3.181 1.00 0.00 H new ATOM 1611 N ASP A 102 9.852 4.003 3.502 1.00 0.00 N ATOM 1612 CA ASP A 102 10.894 3.815 2.499 1.00 0.00 C ATOM 1613 C ASP A 102 10.474 2.771 1.468 1.00 0.00 C ATOM 1614 O ASP A 102 10.828 1.597 1.578 1.00 0.00 O ATOM 1615 CB ASP A 102 12.204 3.393 3.166 1.00 0.00 C ATOM 1616 CG ASP A 102 11.978 2.532 4.393 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.248 1.525 4.285 1.00 0.00 O ATOM 1618 OD2 ASP A 102 12.530 2.866 5.462 1.00 0.00 O ATOM 0 H ASP A 102 10.094 3.659 4.431 1.00 0.00 H new ATOM 0 HA ASP A 102 11.046 4.765 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.814 2.844 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.767 4.282 3.449 1.00 0.00 H new ATOM 1623 N VAL A 103 9.715 3.207 0.467 1.00 0.00 N ATOM 1624 CA VAL A 103 9.247 2.311 -0.583 1.00 0.00 C ATOM 1625 C VAL A 103 10.414 1.610 -1.269 1.00 0.00 C ATOM 1626 O VAL A 103 10.250 0.541 -1.856 1.00 0.00 O ATOM 1627 CB VAL A 103 8.424 3.069 -1.642 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.318 4.000 -2.447 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.700 2.091 -2.554 1.00 0.00 C ATOM 0 H VAL A 103 9.412 4.175 0.362 1.00 0.00 H new ATOM 0 HA VAL A 103 8.611 1.567 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 103 7.676 3.675 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.719 4.527 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.786 4.723 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.090 3.418 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.124 2.644 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.429 1.457 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.028 1.470 -1.961 1.00 0.00 H new ATOM 1639 N GLU A 104 11.593 2.219 -1.188 1.00 0.00 N ATOM 1640 CA GLU A 104 12.788 1.653 -1.802 1.00 0.00 C ATOM 1641 C GLU A 104 13.009 0.215 -1.339 1.00 0.00 C ATOM 1642 O GLU A 104 13.322 -0.665 -2.140 1.00 0.00 O ATOM 1643 CB GLU A 104 14.014 2.503 -1.463 1.00 0.00 C ATOM 1644 CG GLU A 104 13.918 3.935 -1.961 1.00 0.00 C ATOM 1645 CD GLU A 104 15.237 4.677 -1.861 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.287 4.064 -2.144 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.218 5.873 -1.499 1.00 0.00 O ATOM 0 H GLU A 104 11.746 3.104 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 104 12.644 1.651 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.152 2.512 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.900 2.036 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.584 3.933 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.162 4.467 -1.384 1.00 0.00 H new ATOM 1654 N ASP A 105 12.842 -0.013 -0.041 1.00 0.00 N ATOM 1655 CA ASP A 105 13.022 -1.343 0.530 1.00 0.00 C ATOM 1656 C ASP A 105 12.286 -2.393 -0.295 1.00 0.00 C ATOM 1657 O ASP A 105 12.730 -3.537 -0.403 1.00 0.00 O ATOM 1658 CB ASP A 105 12.524 -1.372 1.976 1.00 0.00 C ATOM 1659 CG ASP A 105 13.610 -1.007 2.970 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.451 -1.878 3.275 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.618 0.149 3.442 1.00 0.00 O ATOM 0 H ASP A 105 12.582 0.705 0.635 1.00 0.00 H new ATOM 0 HA ASP A 105 14.087 -1.576 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.689 -0.679 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.144 -2.367 2.207 1.00 0.00 H new ATOM 1666 N LEU A 106 11.158 -1.998 -0.876 1.00 0.00 N ATOM 1667 CA LEU A 106 10.358 -2.905 -1.692 1.00 0.00 C ATOM 1668 C LEU A 106 11.157 -3.407 -2.890 1.00 0.00 C ATOM 1669 O LEU A 106 11.025 -4.561 -3.298 1.00 0.00 O ATOM 1670 CB LEU A 106 9.085 -2.205 -2.169 1.00 0.00 C ATOM 1671 CG LEU A 106 8.205 -1.595 -1.078 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.916 -1.050 -1.675 1.00 0.00 C ATOM 1673 CD2 LEU A 106 7.901 -2.625 0.000 1.00 0.00 C ATOM 0 H LEU A 106 10.777 -1.055 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 106 10.084 -3.762 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.368 -1.414 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.488 -2.924 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 106 8.748 -0.768 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.302 -0.620 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.152 -0.281 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.369 -1.859 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.274 -2.173 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.378 -3.472 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.833 -2.968 0.448 1.00 0.00 H new ATOM 1685 N TYR A 107 11.987 -2.533 -3.449 1.00 0.00 N ATOM 1686 CA TYR A 107 12.807 -2.887 -4.601 1.00 0.00 C ATOM 1687 C TYR A 107 13.955 -3.805 -4.192 1.00 0.00 C ATOM 1688 O TYR A 107 14.853 -3.401 -3.454 1.00 0.00 O ATOM 1689 CB TYR A 107 13.361 -1.626 -5.267 1.00 0.00 C ATOM 1690 CG TYR A 107 12.318 -0.555 -5.495 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.077 -0.869 -6.035 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.575 0.772 -5.171 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.122 0.106 -6.246 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.625 1.754 -5.377 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.400 1.416 -5.915 1.00 0.00 C ATOM 1696 OH TYR A 107 9.452 2.391 -6.123 1.00 0.00 O ATOM 0 H TYR A 107 12.109 -1.574 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 107 12.176 -3.419 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.159 -1.218 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.807 -1.897 -6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.855 -1.894 -6.294 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.533 1.040 -4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.163 -0.156 -6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.840 2.780 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 107 8.626 1.979 -6.453 1.00 0.00 H new ATOM 1706 N GLU A 108 13.917 -5.042 -4.677 1.00 0.00 N ATOM 1707 CA GLU A 108 14.954 -6.018 -4.361 1.00 0.00 C ATOM 1708 C GLU A 108 15.747 -6.391 -5.610 1.00 0.00 C ATOM 1709 O GLU A 108 15.189 -6.744 -6.649 1.00 0.00 O ATOM 1710 CB GLU A 108 14.333 -7.273 -3.744 1.00 0.00 C ATOM 1711 CG GLU A 108 13.367 -7.993 -4.670 1.00 0.00 C ATOM 1712 CD GLU A 108 12.465 -8.963 -3.932 1.00 0.00 C ATOM 1713 OE1 GLU A 108 12.960 -9.651 -3.014 1.00 0.00 O ATOM 1714 OE2 GLU A 108 11.266 -9.036 -4.273 1.00 0.00 O ATOM 0 H GLU A 108 13.180 -5.392 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 108 15.635 -5.567 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.130 -7.960 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.808 -6.996 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.754 -7.258 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.932 -8.534 -5.429 1.00 0.00 H new ATOM 1721 N PRO A 109 17.082 -6.312 -5.508 1.00 0.00 N ATOM 1722 CA PRO A 109 17.982 -6.638 -6.618 1.00 0.00 C ATOM 1723 C PRO A 109 17.997 -8.130 -6.934 1.00 0.00 C ATOM 1724 O PRO A 109 17.882 -8.966 -6.038 1.00 0.00 O ATOM 1725 CB PRO A 109 19.353 -6.186 -6.108 1.00 0.00 C ATOM 1726 CG PRO A 109 19.243 -6.246 -4.624 1.00 0.00 C ATOM 1727 CD PRO A 109 17.816 -5.900 -4.299 1.00 0.00 C ATOM 0 HA PRO A 109 17.676 -6.154 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.146 -6.839 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.589 -5.177 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.498 -7.239 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 109 19.931 -5.544 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.465 -6.432 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.696 -4.835 -4.099 1.00 0.00 H new ATOM 1735 N VAL A 110 18.139 -8.457 -8.215 1.00 0.00 N ATOM 1736 CA VAL A 110 18.170 -9.849 -8.649 1.00 0.00 C ATOM 1737 C VAL A 110 19.550 -10.460 -8.436 1.00 0.00 C ATOM 1738 O VAL A 110 20.446 -10.298 -9.264 1.00 0.00 O ATOM 1739 CB VAL A 110 17.785 -9.982 -10.135 1.00 0.00 C ATOM 1740 CG1 VAL A 110 17.880 -11.432 -10.583 1.00 0.00 C ATOM 1741 CG2 VAL A 110 16.387 -9.431 -10.374 1.00 0.00 C ATOM 0 H VAL A 110 18.234 -7.777 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 110 17.441 -10.386 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 110 18.487 -9.397 -10.729 1.00 0.00 H new ATOM 0 HG11 VAL A 110 17.604 -11.507 -11.635 1.00 0.00 H new ATOM 0 HG12 VAL A 110 18.902 -11.788 -10.449 1.00 0.00 H new ATOM 0 HG13 VAL A 110 17.202 -12.042 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 110 16.131 -9.533 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 110 15.669 -9.987 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 110 16.358 -8.378 -10.094 1.00 0.00 H new ATOM 1751 N SER A 111 19.714 -11.164 -7.320 1.00 0.00 N ATOM 1752 CA SER A 111 20.986 -11.798 -6.996 1.00 0.00 C ATOM 1753 C SER A 111 20.810 -12.838 -5.895 1.00 0.00 C ATOM 1754 O SER A 111 20.064 -12.628 -4.938 1.00 0.00 O ATOM 1755 CB SER A 111 22.008 -10.745 -6.560 1.00 0.00 C ATOM 1756 OG SER A 111 23.325 -11.267 -6.597 1.00 0.00 O ATOM 0 H SER A 111 18.981 -11.309 -6.625 1.00 0.00 H new ATOM 0 HA SER A 111 21.352 -12.301 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 111 21.940 -9.875 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 111 21.776 -10.405 -5.551 1.00 0.00 H new ATOM 0 HG SER A 111 23.959 -10.575 -6.316 1.00 0.00 H new ATOM 1762 N THR A 112 21.502 -13.964 -6.037 1.00 0.00 N ATOM 1763 CA THR A 112 21.422 -15.040 -5.056 1.00 0.00 C ATOM 1764 C THR A 112 22.802 -15.387 -4.508 1.00 0.00 C ATOM 1765 O THR A 112 23.560 -16.150 -5.107 1.00 0.00 O ATOM 1766 CB THR A 112 20.789 -16.306 -5.661 1.00 0.00 C ATOM 1767 OG1 THR A 112 21.593 -16.786 -6.745 1.00 0.00 O ATOM 1768 CG2 THR A 112 19.379 -16.022 -6.157 1.00 0.00 C ATOM 0 H THR A 112 22.125 -14.155 -6.822 1.00 0.00 H new ATOM 0 HA THR A 112 20.791 -14.681 -4.243 1.00 0.00 H new ATOM 0 HB THR A 112 20.737 -17.067 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 112 22.532 -16.816 -6.467 1.00 0.00 H new ATOM 0 HG21 THR A 112 18.952 -16.931 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 112 18.762 -15.685 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 112 19.412 -15.246 -6.922 1.00 0.00 H new ATOM 1776 N PRO A 113 23.137 -14.817 -3.341 1.00 0.00 N ATOM 1777 CA PRO A 113 24.427 -15.053 -2.686 1.00 0.00 C ATOM 1778 C PRO A 113 24.548 -16.471 -2.139 1.00 0.00 C ATOM 1779 O PRO A 113 25.606 -16.873 -1.655 1.00 0.00 O ATOM 1780 CB PRO A 113 24.435 -14.036 -1.542 1.00 0.00 C ATOM 1781 CG PRO A 113 22.996 -13.779 -1.253 1.00 0.00 C ATOM 1782 CD PRO A 113 22.282 -13.897 -2.572 1.00 0.00 C ATOM 0 HA PRO A 113 25.262 -14.943 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 113 24.950 -14.430 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 113 24.951 -13.120 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.608 -14.499 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.856 -12.788 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.274 -14.293 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 113 22.187 -12.930 -3.065 1.00 0.00 H new ATOM 1790 N PHE A 114 23.457 -17.227 -2.220 1.00 0.00 N ATOM 1791 CA PHE A 114 23.442 -18.601 -1.732 1.00 0.00 C ATOM 1792 C PHE A 114 22.668 -19.507 -2.685 1.00 0.00 C ATOM 1793 O PHE A 114 21.754 -19.061 -3.378 1.00 0.00 O ATOM 1794 CB PHE A 114 22.820 -18.662 -0.335 1.00 0.00 C ATOM 1795 CG PHE A 114 22.934 -20.012 0.314 1.00 0.00 C ATOM 1796 CD1 PHE A 114 24.162 -20.484 0.749 1.00 0.00 C ATOM 1797 CD2 PHE A 114 21.814 -20.809 0.487 1.00 0.00 C ATOM 1798 CE1 PHE A 114 24.271 -21.726 1.347 1.00 0.00 C ATOM 1799 CE2 PHE A 114 21.917 -22.051 1.084 1.00 0.00 C ATOM 1800 CZ PHE A 114 23.146 -22.510 1.514 1.00 0.00 C ATOM 0 H PHE A 114 22.573 -16.911 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 114 24.472 -18.953 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 114 23.302 -17.920 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 114 21.767 -18.388 -0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 114 25.044 -19.875 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 114 20.850 -20.456 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 114 25.234 -22.082 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 114 21.036 -22.662 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 114 23.228 -23.481 1.980 1.00 0.00 H new ATOM 1810 N SER A 115 23.042 -20.782 -2.714 1.00 0.00 N ATOM 1811 CA SER A 115 22.387 -21.752 -3.584 1.00 0.00 C ATOM 1812 C SER A 115 22.318 -23.122 -2.917 1.00 0.00 C ATOM 1813 O SER A 115 23.341 -23.693 -2.540 1.00 0.00 O ATOM 1814 CB SER A 115 23.132 -21.858 -4.916 1.00 0.00 C ATOM 1815 OG SER A 115 24.357 -22.553 -4.762 1.00 0.00 O ATOM 0 H SER A 115 23.795 -21.168 -2.145 1.00 0.00 H new ATOM 0 HA SER A 115 21.370 -21.407 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 115 22.507 -22.373 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 115 23.324 -20.860 -5.309 1.00 0.00 H new ATOM 0 HG SER A 115 24.321 -23.104 -3.952 1.00 0.00 H new ATOM 1821 N SER A 116 21.103 -23.643 -2.774 1.00 0.00 N ATOM 1822 CA SER A 116 20.898 -24.944 -2.149 1.00 0.00 C ATOM 1823 C SER A 116 20.831 -26.048 -3.200 1.00 0.00 C ATOM 1824 O SER A 116 20.459 -25.805 -4.347 1.00 0.00 O ATOM 1825 CB SER A 116 19.614 -24.938 -1.317 1.00 0.00 C ATOM 1826 OG SER A 116 19.780 -24.182 -0.130 1.00 0.00 O ATOM 0 H SER A 116 20.246 -23.184 -3.083 1.00 0.00 H new ATOM 0 HA SER A 116 21.746 -25.141 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 116 18.797 -24.521 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 116 19.336 -25.961 -1.065 1.00 0.00 H new ATOM 0 HG SER A 116 20.625 -23.688 -0.172 1.00 0.00 H new ATOM 1832 N GLY A 117 21.194 -27.262 -2.799 1.00 0.00 N ATOM 1833 CA GLY A 117 21.168 -28.386 -3.717 1.00 0.00 C ATOM 1834 C GLY A 117 21.222 -29.721 -3.001 1.00 0.00 C ATOM 1835 O GLY A 117 22.175 -30.488 -3.144 1.00 0.00 O ATOM 0 H GLY A 117 21.506 -27.488 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 117 20.262 -28.337 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 117 22.012 -28.311 -4.403 1.00 0.00 H new ATOM 1839 N PRO A 118 20.181 -30.014 -2.209 1.00 0.00 N ATOM 1840 CA PRO A 118 20.091 -31.266 -1.451 1.00 0.00 C ATOM 1841 C PRO A 118 19.870 -32.475 -2.354 1.00 0.00 C ATOM 1842 O PRO A 118 19.844 -32.351 -3.578 1.00 0.00 O ATOM 1843 CB PRO A 118 18.877 -31.046 -0.546 1.00 0.00 C ATOM 1844 CG PRO A 118 18.045 -30.042 -1.265 1.00 0.00 C ATOM 1845 CD PRO A 118 19.011 -29.147 -1.991 1.00 0.00 C ATOM 0 HA PRO A 118 21.011 -31.481 -0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 118 18.328 -31.974 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.177 -30.681 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 118 17.363 -30.528 -1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 118 17.433 -29.471 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.596 -28.788 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 118 19.267 -28.268 -1.399 1.00 0.00 H new ATOM 1853 N SER A 119 19.712 -33.644 -1.741 1.00 0.00 N ATOM 1854 CA SER A 119 19.497 -34.877 -2.490 1.00 0.00 C ATOM 1855 C SER A 119 18.009 -35.109 -2.738 1.00 0.00 C ATOM 1856 O SER A 119 17.161 -34.614 -1.997 1.00 0.00 O ATOM 1857 CB SER A 119 20.092 -36.067 -1.737 1.00 0.00 C ATOM 1858 OG SER A 119 21.488 -36.165 -1.959 1.00 0.00 O ATOM 0 H SER A 119 19.729 -33.763 -0.728 1.00 0.00 H new ATOM 0 HA SER A 119 19.998 -34.780 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.897 -35.960 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.604 -36.987 -2.060 1.00 0.00 H new ATOM 0 HG SER A 119 21.845 -36.933 -1.465 1.00 0.00 H new ATOM 1864 N SER A 120 17.702 -35.867 -3.786 1.00 0.00 N ATOM 1865 CA SER A 120 16.317 -36.164 -4.134 1.00 0.00 C ATOM 1866 C SER A 120 16.203 -37.539 -4.786 1.00 0.00 C ATOM 1867 O SER A 120 17.153 -38.030 -5.395 1.00 0.00 O ATOM 1868 CB SER A 120 15.767 -35.093 -5.078 1.00 0.00 C ATOM 1869 OG SER A 120 14.531 -35.496 -5.641 1.00 0.00 O ATOM 0 H SER A 120 18.393 -36.286 -4.408 1.00 0.00 H new ATOM 0 HA SER A 120 15.730 -36.167 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 120 15.635 -34.158 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.487 -34.900 -5.873 1.00 0.00 H new ATOM 0 HG SER A 120 14.200 -34.794 -6.239 1.00 0.00 H new ATOM 1875 N GLY A 121 15.033 -38.155 -4.652 1.00 0.00 N ATOM 1876 CA GLY A 121 14.815 -39.467 -5.232 1.00 0.00 C ATOM 1877 C GLY A 121 14.154 -40.427 -4.263 1.00 0.00 C ATOM 1878 O GLY A 121 14.182 -41.633 -4.501 1.00 0.00 O ATOM 0 H GLY A 121 14.232 -37.769 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 121 14.193 -39.369 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 121 15.770 -39.881 -5.555 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.469 -0.302 6.713 1.00 0.00 ZN