USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 SER OG : rot 81:sc= 0.61 USER MOD Set 1.2: A 120 SER OG : rot -25:sc= -0.584! USER MOD Set 1.3: A 130 HIS :FLIP no HD1:sc= -14.5! C(o=-16!,f=-14!) USER MOD Set 2.1: A 97 GLN : amide:sc= -4.33! C(o=-4.3!,f=-8.6!) USER MOD Set 2.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot -132:sc= 1.37 USER MOD Set 3.2: A 125 THR OG1 : rot -89:sc= 0.74 USER MOD Set 3.3: A 126 ASN : amide:sc= -0.951 K(o=1.2,f=-3.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-8.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.2) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc=-0.00744 (180deg=-0.245) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.627 (180deg=-1.28) USER MOD Single : A 34 THR OG1 : rot -19:sc= 0.131! USER MOD Single : A 35 GLN : amide:sc= -4.63! C(o=-4.6!,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 45 THR OG1 : rot 143:sc= 0.295 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 53 THR OG1 : rot -143:sc= 1.77 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= -0.0824 (180deg=-0.612) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0156 (180deg=-0.116) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.181 F(o=-1.6!,f=-0.18) USER MOD Single : A 69 ASN : amide:sc= -6.92! C(o=-6.9!,f=-6.6!) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-7.5!) USER MOD Single : A 76 THR OG1 : rot -75:sc= 0.24 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -160:sc= -0.145 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0998 K(o=-0.1,f=-0.78) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.44) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc=-0.00581 (180deg=-0.173) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 166:sc= -0.0578 (180deg=-0.337) USER MOD Single : A 124 THR OG1 : rot -26:sc= -1.1 USER MOD Single : A 134 LYS NZ :NH3+ -110:sc= 0.659 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -14.755 10.480 2.704 1.00 0.00 N ATOM 51 CA LYS A 5 -14.030 9.661 1.740 1.00 0.00 C ATOM 52 C LYS A 5 -13.127 8.658 2.450 1.00 0.00 C ATOM 53 O LYS A 5 -12.129 9.036 3.063 1.00 0.00 O ATOM 54 CB LYS A 5 -13.181 10.553 0.839 1.00 0.00 C ATOM 55 CG LYS A 5 -14.095 11.449 -0.002 1.00 0.00 C ATOM 56 CD LYS A 5 -14.055 10.995 -1.461 1.00 0.00 C ATOM 57 CE LYS A 5 -15.022 11.846 -2.287 1.00 0.00 C ATOM 58 NZ LYS A 5 -16.356 11.184 -2.329 1.00 0.00 N ATOM 0 HA LYS A 5 -14.758 9.115 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.510 11.164 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.556 9.941 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.116 11.402 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.774 12.488 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.043 11.090 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.328 9.942 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.112 12.841 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.636 11.975 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.013 11.762 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.264 10.244 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.724 11.083 -1.362 1.00 0.00 H new ATOM 72 N SER A 6 -13.482 7.381 2.354 1.00 0.00 N ATOM 73 CA SER A 6 -12.697 6.325 2.987 1.00 0.00 C ATOM 74 C SER A 6 -11.598 5.840 2.053 1.00 0.00 C ATOM 75 O SER A 6 -11.481 6.304 0.920 1.00 0.00 O ATOM 76 CB SER A 6 -13.608 5.155 3.360 1.00 0.00 C ATOM 77 OG SER A 6 -13.874 5.194 4.756 1.00 0.00 O ATOM 0 H SER A 6 -14.304 7.052 1.847 1.00 0.00 H new ATOM 0 HA SER A 6 -12.236 6.730 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.541 5.212 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.133 4.210 3.095 1.00 0.00 H new ATOM 0 HG SER A 6 -13.738 4.303 5.140 1.00 0.00 H new ATOM 83 N LEU A 7 -10.790 4.908 2.539 1.00 0.00 N ATOM 84 CA LEU A 7 -9.696 4.369 1.742 1.00 0.00 C ATOM 85 C LEU A 7 -10.199 3.932 0.368 1.00 0.00 C ATOM 86 O LEU A 7 -9.770 4.459 -0.661 1.00 0.00 O ATOM 87 CB LEU A 7 -9.071 3.174 2.460 1.00 0.00 C ATOM 88 CG LEU A 7 -8.854 3.515 3.939 1.00 0.00 C ATOM 89 CD1 LEU A 7 -9.818 2.696 4.794 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.414 3.180 4.338 1.00 0.00 C ATOM 0 H LEU A 7 -10.870 4.511 3.475 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.946 5.149 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.720 2.303 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.121 2.914 1.994 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.036 4.578 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.666 2.937 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.844 2.932 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.633 1.634 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.262 3.423 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.231 2.117 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.723 3.761 3.728 1.00 0.00 H new ATOM 102 N HIS A 8 -11.108 2.964 0.357 1.00 0.00 N ATOM 103 CA HIS A 8 -11.663 2.466 -0.897 1.00 0.00 C ATOM 104 C HIS A 8 -12.187 3.621 -1.741 1.00 0.00 C ATOM 105 O HIS A 8 -11.864 3.738 -2.924 1.00 0.00 O ATOM 106 CB HIS A 8 -12.798 1.481 -0.609 1.00 0.00 C ATOM 107 CG HIS A 8 -13.682 2.026 0.479 1.00 0.00 C ATOM 108 ND1 HIS A 8 -14.712 2.918 0.219 1.00 0.00 N ATOM 109 CD2 HIS A 8 -13.710 1.809 1.835 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.312 3.197 1.391 1.00 0.00 C ATOM 111 NE2 HIS A 8 -14.740 2.549 2.408 1.00 0.00 N ATOM 0 H HIS A 8 -11.474 2.511 1.194 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.874 1.956 -1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.382 1.310 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.388 0.517 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.035 1.162 2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.154 3.865 1.496 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.001 2.588 3.393 1.00 0.00 H new ATOM 120 N GLU A 9 -12.997 4.477 -1.127 1.00 0.00 N ATOM 121 CA GLU A 9 -13.556 5.623 -1.832 1.00 0.00 C ATOM 122 C GLU A 9 -12.457 6.377 -2.574 1.00 0.00 C ATOM 123 O GLU A 9 -12.653 6.840 -3.698 1.00 0.00 O ATOM 124 CB GLU A 9 -14.243 6.562 -0.837 1.00 0.00 C ATOM 125 CG GLU A 9 -15.756 6.558 -1.073 1.00 0.00 C ATOM 126 CD GLU A 9 -16.081 7.299 -2.365 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.173 7.834 -2.459 1.00 0.00 O ATOM 128 OE2 GLU A 9 -15.231 7.322 -3.240 1.00 0.00 O ATOM 0 H GLU A 9 -13.279 4.400 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.288 5.264 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.025 6.247 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.852 7.573 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.121 5.533 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.265 7.032 -0.234 1.00 0.00 H new ATOM 135 N LYS A 10 -11.297 6.495 -1.941 1.00 0.00 N ATOM 136 CA LYS A 10 -10.179 7.194 -2.558 1.00 0.00 C ATOM 137 C LYS A 10 -9.673 6.424 -3.772 1.00 0.00 C ATOM 138 O LYS A 10 -9.478 6.997 -4.842 1.00 0.00 O ATOM 139 CB LYS A 10 -9.044 7.362 -1.545 1.00 0.00 C ATOM 140 CG LYS A 10 -8.020 8.374 -2.072 1.00 0.00 C ATOM 141 CD LYS A 10 -8.051 9.633 -1.202 1.00 0.00 C ATOM 142 CE LYS A 10 -6.989 10.618 -1.691 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.204 11.941 -1.042 1.00 0.00 N ATOM 0 H LYS A 10 -11.107 6.120 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.522 8.176 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.445 7.701 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.560 6.402 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.022 7.936 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.245 8.629 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.038 10.094 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.868 9.372 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.993 10.243 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.043 10.719 -2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.482 12.612 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.149 12.299 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.132 11.837 -0.010 1.00 0.00 H new ATOM 157 N LEU A 11 -9.465 5.122 -3.599 1.00 0.00 N ATOM 158 CA LEU A 11 -8.983 4.281 -4.693 1.00 0.00 C ATOM 159 C LEU A 11 -9.972 4.295 -5.853 1.00 0.00 C ATOM 160 O LEU A 11 -9.603 4.043 -7.000 1.00 0.00 O ATOM 161 CB LEU A 11 -8.789 2.848 -4.200 1.00 0.00 C ATOM 162 CG LEU A 11 -7.881 2.849 -2.969 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.736 1.423 -2.438 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.499 3.399 -3.340 1.00 0.00 C ATOM 0 H LEU A 11 -9.621 4.628 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.029 4.677 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.753 2.404 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.349 2.237 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.324 3.481 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.089 1.425 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.717 1.035 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.299 0.790 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.858 3.397 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.054 2.773 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.601 4.419 -3.712 1.00 0.00 H new ATOM 176 N LYS A 12 -11.229 4.591 -5.546 1.00 0.00 N ATOM 177 CA LYS A 12 -12.264 4.637 -6.573 1.00 0.00 C ATOM 178 C LYS A 12 -12.264 5.988 -7.277 1.00 0.00 C ATOM 179 O LYS A 12 -12.505 6.072 -8.482 1.00 0.00 O ATOM 180 CB LYS A 12 -13.633 4.388 -5.943 1.00 0.00 C ATOM 181 CG LYS A 12 -13.921 2.885 -5.926 1.00 0.00 C ATOM 182 CD LYS A 12 -15.079 2.595 -4.965 1.00 0.00 C ATOM 183 CE LYS A 12 -16.365 3.253 -5.476 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.503 2.307 -5.314 1.00 0.00 N ATOM 0 H LYS A 12 -11.555 4.801 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.054 3.860 -7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.656 4.785 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.405 4.911 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.173 2.541 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.031 2.337 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.224 1.519 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.839 2.971 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.560 4.172 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.254 3.529 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.377 2.752 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.316 1.442 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.613 2.065 -4.309 1.00 0.00 H new ATOM 198 N GLN A 13 -11.994 7.043 -6.518 1.00 0.00 N ATOM 199 CA GLN A 13 -11.965 8.390 -7.079 1.00 0.00 C ATOM 200 C GLN A 13 -10.661 8.629 -7.835 1.00 0.00 C ATOM 201 O GLN A 13 -10.629 9.374 -8.815 1.00 0.00 O ATOM 202 CB GLN A 13 -12.102 9.426 -5.962 1.00 0.00 C ATOM 203 CG GLN A 13 -12.789 10.679 -6.509 1.00 0.00 C ATOM 204 CD GLN A 13 -14.274 10.408 -6.721 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.730 10.296 -7.859 1.00 0.00 O ATOM 206 NE2 GLN A 13 -15.062 10.297 -5.686 1.00 0.00 N ATOM 0 H GLN A 13 -11.793 6.994 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.800 8.490 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.681 9.012 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.119 9.681 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.658 11.509 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.327 10.976 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.683 10.390 -4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.057 10.117 -5.820 1.00 0.00 H new ATOM 215 N ASP A 14 -9.587 7.994 -7.373 1.00 0.00 N ATOM 216 CA ASP A 14 -8.286 8.152 -8.014 1.00 0.00 C ATOM 217 C ASP A 14 -8.178 7.252 -9.240 1.00 0.00 C ATOM 218 O ASP A 14 -7.976 6.044 -9.120 1.00 0.00 O ATOM 219 CB ASP A 14 -7.172 7.803 -7.024 1.00 0.00 C ATOM 220 CG ASP A 14 -6.127 8.913 -7.001 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.481 10.026 -6.651 1.00 0.00 O ATOM 222 OD2 ASP A 14 -4.987 8.632 -7.334 1.00 0.00 O ATOM 0 H ASP A 14 -9.591 7.371 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.182 9.190 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.590 7.666 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.706 6.859 -7.307 1.00 0.00 H new ATOM 227 N LYS A 15 -8.312 7.849 -10.421 1.00 0.00 N ATOM 228 CA LYS A 15 -8.226 7.090 -11.664 1.00 0.00 C ATOM 229 C LYS A 15 -6.876 6.385 -11.773 1.00 0.00 C ATOM 230 O LYS A 15 -6.738 5.392 -12.486 1.00 0.00 O ATOM 231 CB LYS A 15 -8.417 8.027 -12.858 1.00 0.00 C ATOM 232 CG LYS A 15 -9.876 7.979 -13.320 1.00 0.00 C ATOM 233 CD LYS A 15 -10.791 8.473 -12.196 1.00 0.00 C ATOM 234 CE LYS A 15 -12.189 8.741 -12.757 1.00 0.00 C ATOM 235 NZ LYS A 15 -12.744 7.481 -13.327 1.00 0.00 N ATOM 0 H LYS A 15 -8.479 8.848 -10.543 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.013 6.336 -11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.146 9.046 -12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.757 7.732 -13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.007 8.599 -14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.145 6.961 -13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.843 7.729 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.384 9.383 -11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.843 9.116 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.142 9.512 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.761 7.600 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.258 7.260 -14.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.600 6.702 -12.653 1.00 0.00 H new ATOM 249 N ARG A 16 -5.884 6.903 -11.057 1.00 0.00 N ATOM 250 CA ARG A 16 -4.549 6.310 -11.077 1.00 0.00 C ATOM 251 C ARG A 16 -4.591 4.882 -10.547 1.00 0.00 C ATOM 252 O ARG A 16 -3.821 4.023 -10.975 1.00 0.00 O ATOM 253 CB ARG A 16 -3.605 7.149 -10.222 1.00 0.00 C ATOM 254 CG ARG A 16 -3.335 8.481 -10.930 1.00 0.00 C ATOM 255 CD ARG A 16 -2.165 8.330 -11.909 1.00 0.00 C ATOM 256 NE ARG A 16 -1.746 9.636 -12.410 1.00 0.00 N ATOM 257 CZ ARG A 16 -0.991 10.444 -11.676 1.00 0.00 C ATOM 258 NH1 ARG A 16 -0.625 10.085 -10.476 1.00 0.00 N ATOM 259 NH2 ARG A 16 -0.605 11.594 -12.159 1.00 0.00 N ATOM 0 H ARG A 16 -5.976 7.725 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.189 6.289 -12.106 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.045 7.327 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.670 6.614 -10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.228 8.805 -11.465 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.107 9.253 -10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.328 7.839 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.460 7.692 -12.742 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.039 9.933 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.919 9.183 -10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.045 10.706 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.884 11.871 -13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.025 12.215 -11.595 1.00 0.00 H new ATOM 273 N PHE A 17 -5.498 4.645 -9.610 1.00 0.00 N ATOM 274 CA PHE A 17 -5.646 3.318 -9.013 1.00 0.00 C ATOM 275 C PHE A 17 -6.906 2.622 -9.515 1.00 0.00 C ATOM 276 O PHE A 17 -7.509 1.816 -8.808 1.00 0.00 O ATOM 277 CB PHE A 17 -5.689 3.426 -7.487 1.00 0.00 C ATOM 278 CG PHE A 17 -4.613 4.378 -7.012 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.317 4.304 -7.542 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.912 5.334 -6.032 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.327 5.185 -7.091 1.00 0.00 C ATOM 282 CE2 PHE A 17 -3.921 6.214 -5.583 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.628 6.139 -6.112 1.00 0.00 C ATOM 0 H PHE A 17 -6.141 5.348 -9.246 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.784 2.721 -9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.669 3.780 -7.165 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.542 2.443 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.083 3.568 -8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.910 5.392 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.329 5.128 -7.499 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.154 6.951 -4.828 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.862 6.817 -5.765 1.00 0.00 H new ATOM 293 N SER A 18 -7.286 2.921 -10.746 1.00 0.00 N ATOM 294 CA SER A 18 -8.460 2.300 -11.336 1.00 0.00 C ATOM 295 C SER A 18 -8.232 0.798 -11.517 1.00 0.00 C ATOM 296 O SER A 18 -9.045 -0.035 -11.093 1.00 0.00 O ATOM 297 CB SER A 18 -8.752 2.944 -12.695 1.00 0.00 C ATOM 298 OG SER A 18 -10.047 2.557 -13.137 1.00 0.00 O ATOM 0 H SER A 18 -6.803 3.584 -11.352 1.00 0.00 H new ATOM 0 HA SER A 18 -9.310 2.449 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.693 4.029 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.001 2.637 -13.423 1.00 0.00 H new ATOM 0 HG SER A 18 -10.233 2.971 -14.006 1.00 0.00 H new ATOM 304 N THR A 19 -7.118 0.451 -12.144 1.00 0.00 N ATOM 305 CA THR A 19 -6.801 -0.950 -12.373 1.00 0.00 C ATOM 306 C THR A 19 -6.791 -1.706 -11.053 1.00 0.00 C ATOM 307 O THR A 19 -7.296 -2.829 -10.958 1.00 0.00 O ATOM 308 CB THR A 19 -5.435 -1.078 -13.063 1.00 0.00 C ATOM 309 OG1 THR A 19 -5.438 -0.305 -14.259 1.00 0.00 O ATOM 310 CG2 THR A 19 -5.164 -2.543 -13.410 1.00 0.00 C ATOM 0 H THR A 19 -6.426 1.111 -12.499 1.00 0.00 H new ATOM 0 HA THR A 19 -7.564 -1.381 -13.021 1.00 0.00 H new ATOM 0 HB THR A 19 -4.657 -0.717 -12.391 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.567 -0.383 -14.701 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.194 -2.628 -13.899 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.163 -3.139 -12.497 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.942 -2.908 -14.081 1.00 0.00 H new ATOM 318 N PHE A 20 -6.210 -1.082 -10.039 1.00 0.00 N ATOM 319 CA PHE A 20 -6.131 -1.691 -8.725 1.00 0.00 C ATOM 320 C PHE A 20 -7.518 -2.070 -8.256 1.00 0.00 C ATOM 321 O PHE A 20 -7.725 -3.143 -7.692 1.00 0.00 O ATOM 322 CB PHE A 20 -5.480 -0.714 -7.740 1.00 0.00 C ATOM 323 CG PHE A 20 -3.977 -0.654 -7.972 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.142 -0.203 -6.942 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.407 -1.026 -9.210 1.00 0.00 C ATOM 326 CE1 PHE A 20 -1.757 -0.127 -7.142 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.020 -0.947 -9.398 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.200 -0.497 -8.368 1.00 0.00 C ATOM 0 H PHE A 20 -5.788 -0.156 -10.103 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.520 -2.592 -8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.914 0.279 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.685 -1.028 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.566 0.087 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.041 -1.372 -10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.117 0.219 -6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.587 -1.236 -10.344 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.132 -0.434 -8.517 1.00 0.00 H new ATOM 338 N LEU A 21 -8.468 -1.192 -8.493 1.00 0.00 N ATOM 339 CA LEU A 21 -9.832 -1.463 -8.091 1.00 0.00 C ATOM 340 C LEU A 21 -10.348 -2.704 -8.807 1.00 0.00 C ATOM 341 O LEU A 21 -11.097 -3.492 -8.239 1.00 0.00 O ATOM 342 CB LEU A 21 -10.724 -0.267 -8.434 1.00 0.00 C ATOM 343 CG LEU A 21 -11.510 0.178 -7.198 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.314 -0.997 -6.630 1.00 0.00 C ATOM 345 CD2 LEU A 21 -10.543 0.687 -6.128 1.00 0.00 C ATOM 0 H LEU A 21 -8.325 -0.295 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.855 -1.633 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.113 0.558 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.413 -0.536 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.194 0.976 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.869 -0.667 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.012 -1.359 -7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.634 -1.801 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.106 1.003 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.855 -0.111 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.978 1.533 -6.521 1.00 0.00 H new ATOM 357 N SER A 22 -9.951 -2.876 -10.052 1.00 0.00 N ATOM 358 CA SER A 22 -10.420 -4.026 -10.823 1.00 0.00 C ATOM 359 C SER A 22 -9.869 -5.348 -10.288 1.00 0.00 C ATOM 360 O SER A 22 -10.610 -6.303 -10.064 1.00 0.00 O ATOM 361 CB SER A 22 -10.009 -3.861 -12.274 1.00 0.00 C ATOM 362 OG SER A 22 -11.173 -3.850 -13.083 1.00 0.00 O ATOM 0 H SER A 22 -9.317 -2.251 -10.550 1.00 0.00 H new ATOM 0 HA SER A 22 -11.506 -4.061 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.451 -2.934 -12.404 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.349 -4.675 -12.574 1.00 0.00 H new ATOM 0 HG SER A 22 -10.917 -3.742 -14.023 1.00 0.00 H new ATOM 368 N LEU A 23 -8.560 -5.399 -10.099 1.00 0.00 N ATOM 369 CA LEU A 23 -7.909 -6.620 -9.630 1.00 0.00 C ATOM 370 C LEU A 23 -8.144 -6.855 -8.146 1.00 0.00 C ATOM 371 O LEU A 23 -8.402 -7.977 -7.719 1.00 0.00 O ATOM 372 CB LEU A 23 -6.407 -6.540 -9.905 1.00 0.00 C ATOM 373 CG LEU A 23 -5.827 -5.266 -9.268 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.178 -5.588 -7.913 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.766 -4.657 -10.190 1.00 0.00 C ATOM 0 H LEU A 23 -7.927 -4.616 -10.261 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.346 -7.458 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.907 -7.420 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.225 -6.536 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.643 -4.558 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.773 -4.675 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.927 -6.009 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.373 -6.309 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.360 -3.755 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.963 -5.377 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.219 -4.405 -11.149 1.00 0.00 H new ATOM 387 N LEU A 24 -8.035 -5.798 -7.348 1.00 0.00 N ATOM 388 CA LEU A 24 -8.212 -5.943 -5.913 1.00 0.00 C ATOM 389 C LEU A 24 -9.654 -6.315 -5.606 1.00 0.00 C ATOM 390 O LEU A 24 -9.923 -7.071 -4.676 1.00 0.00 O ATOM 391 CB LEU A 24 -7.798 -4.645 -5.200 1.00 0.00 C ATOM 392 CG LEU A 24 -8.978 -3.665 -5.161 1.00 0.00 C ATOM 393 CD1 LEU A 24 -9.970 -4.009 -4.047 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.461 -2.260 -4.895 1.00 0.00 C ATOM 0 H LEU A 24 -7.829 -4.851 -7.665 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.573 -6.745 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.467 -4.868 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.954 -4.190 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.484 -3.732 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.790 -3.290 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.365 -5.012 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.463 -3.970 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.299 -1.563 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.940 -2.239 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.773 -1.969 -5.689 1.00 0.00 H new ATOM 406 N GLU A 25 -10.591 -5.772 -6.384 1.00 0.00 N ATOM 407 CA GLU A 25 -11.997 -6.069 -6.170 1.00 0.00 C ATOM 408 C GLU A 25 -12.296 -7.504 -6.566 1.00 0.00 C ATOM 409 O GLU A 25 -13.106 -8.176 -5.929 1.00 0.00 O ATOM 410 CB GLU A 25 -12.849 -5.096 -6.983 1.00 0.00 C ATOM 411 CG GLU A 25 -14.319 -5.335 -6.698 1.00 0.00 C ATOM 412 CD GLU A 25 -15.061 -5.651 -7.991 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.800 -4.797 -8.451 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.883 -6.746 -8.502 1.00 0.00 O ATOM 0 H GLU A 25 -10.400 -5.134 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.237 -5.952 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.583 -4.069 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.650 -5.226 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.431 -6.160 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.754 -4.453 -6.227 1.00 0.00 H new ATOM 421 N ALA A 26 -11.636 -7.974 -7.613 1.00 0.00 N ATOM 422 CA ALA A 26 -11.847 -9.337 -8.065 1.00 0.00 C ATOM 423 C ALA A 26 -11.458 -10.333 -6.975 1.00 0.00 C ATOM 424 O ALA A 26 -12.128 -11.347 -6.781 1.00 0.00 O ATOM 425 CB ALA A 26 -11.012 -9.601 -9.315 1.00 0.00 C ATOM 0 H ALA A 26 -10.959 -7.440 -8.158 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.905 -9.464 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.173 -10.625 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.309 -8.910 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.956 -9.457 -9.085 1.00 0.00 H new ATOM 431 N ALA A 27 -10.370 -10.039 -6.272 1.00 0.00 N ATOM 432 CA ALA A 27 -9.896 -10.922 -5.210 1.00 0.00 C ATOM 433 C ALA A 27 -10.679 -10.688 -3.921 1.00 0.00 C ATOM 434 O ALA A 27 -10.608 -11.497 -2.996 1.00 0.00 O ATOM 435 CB ALA A 27 -8.411 -10.676 -4.947 1.00 0.00 C ATOM 0 H ALA A 27 -9.803 -9.203 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.046 -11.952 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.067 -11.339 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.843 -10.873 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.262 -9.640 -4.644 1.00 0.00 H new ATOM 441 N ASP A 28 -11.421 -9.582 -3.874 1.00 0.00 N ATOM 442 CA ASP A 28 -12.228 -9.243 -2.702 1.00 0.00 C ATOM 443 C ASP A 28 -11.393 -8.509 -1.651 1.00 0.00 C ATOM 444 O ASP A 28 -11.364 -8.904 -0.485 1.00 0.00 O ATOM 445 CB ASP A 28 -12.829 -10.515 -2.093 1.00 0.00 C ATOM 446 CG ASP A 28 -14.155 -10.193 -1.414 1.00 0.00 C ATOM 447 OD1 ASP A 28 -14.336 -10.618 -0.285 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.967 -9.528 -2.032 1.00 0.00 O ATOM 0 H ASP A 28 -11.480 -8.905 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.031 -8.581 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.982 -11.263 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.136 -10.944 -1.370 1.00 0.00 H new ATOM 453 N LEU A 29 -10.719 -7.437 -2.071 1.00 0.00 N ATOM 454 CA LEU A 29 -9.891 -6.654 -1.152 1.00 0.00 C ATOM 455 C LEU A 29 -10.535 -5.311 -0.854 1.00 0.00 C ATOM 456 O LEU A 29 -9.889 -4.394 -0.341 1.00 0.00 O ATOM 457 CB LEU A 29 -8.501 -6.424 -1.751 1.00 0.00 C ATOM 458 CG LEU A 29 -7.456 -7.207 -0.954 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.341 -6.646 0.454 1.00 0.00 C ATOM 460 CD2 LEU A 29 -7.856 -8.684 -0.877 1.00 0.00 C ATOM 0 H LEU A 29 -10.729 -7.094 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.799 -7.218 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.488 -6.740 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.261 -5.361 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.494 -7.115 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.594 -7.212 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.041 -5.599 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.305 -6.724 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.107 -9.235 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.824 -8.774 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.922 -9.096 -1.884 1.00 0.00 H new ATOM 472 N LYS A 30 -11.810 -5.209 -1.180 1.00 0.00 N ATOM 473 CA LYS A 30 -12.556 -3.986 -0.958 1.00 0.00 C ATOM 474 C LYS A 30 -13.533 -4.153 0.213 1.00 0.00 C ATOM 475 O LYS A 30 -13.934 -3.179 0.854 1.00 0.00 O ATOM 476 CB LYS A 30 -13.329 -3.599 -2.233 1.00 0.00 C ATOM 477 CG LYS A 30 -14.017 -4.824 -2.872 1.00 0.00 C ATOM 478 CD LYS A 30 -15.444 -4.971 -2.345 1.00 0.00 C ATOM 479 CE LYS A 30 -15.771 -6.454 -2.203 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.244 -6.613 -2.072 1.00 0.00 N ATOM 0 H LYS A 30 -12.352 -5.963 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.850 -3.193 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.078 -2.845 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.645 -3.149 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.033 -4.715 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.446 -5.726 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.543 -4.470 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.148 -4.494 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.408 -7.005 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.268 -6.869 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.454 -7.490 -1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.636 -5.802 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.674 -6.658 -3.018 1.00 0.00 H new ATOM 494 N GLU A 31 -13.921 -5.398 0.482 1.00 0.00 N ATOM 495 CA GLU A 31 -14.858 -5.678 1.568 1.00 0.00 C ATOM 496 C GLU A 31 -14.241 -5.313 2.912 1.00 0.00 C ATOM 497 O GLU A 31 -14.710 -4.411 3.607 1.00 0.00 O ATOM 498 CB GLU A 31 -15.222 -7.171 1.556 1.00 0.00 C ATOM 499 CG GLU A 31 -16.700 -7.352 1.195 1.00 0.00 C ATOM 500 CD GLU A 31 -16.983 -8.819 0.879 1.00 0.00 C ATOM 501 OE1 GLU A 31 -16.884 -9.185 -0.282 1.00 0.00 O ATOM 502 OE2 GLU A 31 -17.295 -9.554 1.801 1.00 0.00 O ATOM 0 H GLU A 31 -13.605 -6.221 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.756 -5.078 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.597 -7.699 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.023 -7.609 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.328 -7.022 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.952 -6.731 0.335 1.00 0.00 H new ATOM 509 N LEU A 32 -13.173 -6.001 3.268 1.00 0.00 N ATOM 510 CA LEU A 32 -12.491 -5.723 4.518 1.00 0.00 C ATOM 511 C LEU A 32 -12.103 -4.249 4.590 1.00 0.00 C ATOM 512 O LEU A 32 -11.856 -3.712 5.669 1.00 0.00 O ATOM 513 CB LEU A 32 -11.229 -6.603 4.643 1.00 0.00 C ATOM 514 CG LEU A 32 -10.082 -6.066 3.763 1.00 0.00 C ATOM 515 CD1 LEU A 32 -8.777 -6.765 4.138 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.391 -6.337 2.291 1.00 0.00 C ATOM 0 H LEU A 32 -12.761 -6.752 2.714 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.167 -5.952 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.907 -6.635 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.466 -7.626 4.351 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.982 -4.993 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.968 -6.384 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.549 -6.572 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.881 -7.839 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.578 -5.956 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.495 -7.410 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.320 -5.838 2.016 1.00 0.00 H new ATOM 528 N LEU A 33 -12.025 -3.610 3.426 1.00 0.00 N ATOM 529 CA LEU A 33 -11.618 -2.208 3.361 1.00 0.00 C ATOM 530 C LEU A 33 -12.687 -1.300 3.945 1.00 0.00 C ATOM 531 O LEU A 33 -12.384 -0.358 4.676 1.00 0.00 O ATOM 532 CB LEU A 33 -11.376 -1.805 1.908 1.00 0.00 C ATOM 533 CG LEU A 33 -9.884 -1.584 1.646 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.372 -0.433 2.501 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.123 -2.856 2.006 1.00 0.00 C ATOM 0 H LEU A 33 -12.236 -4.035 2.523 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.702 -2.099 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.756 -2.581 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.928 -0.893 1.682 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.733 -1.343 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.310 -0.282 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.919 0.476 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.520 -0.669 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.059 -2.708 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.281 -3.089 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.485 -3.682 1.394 1.00 0.00 H new ATOM 547 N THR A 34 -13.936 -1.582 3.611 1.00 0.00 N ATOM 548 CA THR A 34 -15.039 -0.769 4.094 1.00 0.00 C ATOM 549 C THR A 34 -15.368 -1.131 5.532 1.00 0.00 C ATOM 550 O THR A 34 -16.057 -0.392 6.228 1.00 0.00 O ATOM 551 CB THR A 34 -16.271 -0.978 3.209 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.375 -0.270 3.755 1.00 0.00 O ATOM 553 CG2 THR A 34 -16.612 -2.469 3.123 1.00 0.00 C ATOM 0 H THR A 34 -14.210 -2.361 3.012 1.00 0.00 H new ATOM 0 HA THR A 34 -14.745 0.280 4.053 1.00 0.00 H new ATOM 0 HB THR A 34 -16.055 -0.604 2.208 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.201 -0.070 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.490 -2.606 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.769 -3.011 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.821 -2.853 4.122 1.00 0.00 H new ATOM 561 N GLN A 35 -14.882 -2.282 5.971 1.00 0.00 N ATOM 562 CA GLN A 35 -15.159 -2.723 7.334 1.00 0.00 C ATOM 563 C GLN A 35 -14.452 -1.827 8.358 1.00 0.00 C ATOM 564 O GLN A 35 -13.225 -1.756 8.378 1.00 0.00 O ATOM 565 CB GLN A 35 -14.712 -4.170 7.512 1.00 0.00 C ATOM 566 CG GLN A 35 -15.915 -5.103 7.331 1.00 0.00 C ATOM 567 CD GLN A 35 -16.724 -4.724 6.091 1.00 0.00 C ATOM 568 OE1 GLN A 35 -17.636 -3.898 6.165 1.00 0.00 O ATOM 569 NE2 GLN A 35 -16.454 -5.289 4.954 1.00 0.00 N ATOM 0 H GLN A 35 -14.306 -2.917 5.419 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.233 -2.652 7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.937 -4.414 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.277 -4.308 8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.570 -6.133 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.553 -5.055 8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.700 -5.973 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.996 -5.049 4.124 1.00 0.00 H new ATOM 578 N PRO A 36 -15.188 -1.138 9.211 1.00 0.00 N ATOM 579 CA PRO A 36 -14.588 -0.231 10.227 1.00 0.00 C ATOM 580 C PRO A 36 -13.275 -0.766 10.803 1.00 0.00 C ATOM 581 O PRO A 36 -13.176 -1.939 11.165 1.00 0.00 O ATOM 582 CB PRO A 36 -15.675 -0.163 11.298 1.00 0.00 C ATOM 583 CG PRO A 36 -16.961 -0.309 10.553 1.00 0.00 C ATOM 584 CD PRO A 36 -16.664 -1.152 9.319 1.00 0.00 C ATOM 0 HA PRO A 36 -14.316 0.738 9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.553 -0.957 12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.637 0.782 11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.716 -0.789 11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.355 0.666 10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.045 -2.167 9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.132 -0.732 8.429 1.00 0.00 H new ATOM 592 N GLY A 37 -12.272 0.107 10.887 1.00 0.00 N ATOM 593 CA GLY A 37 -10.977 -0.279 11.421 1.00 0.00 C ATOM 594 C GLY A 37 -9.904 0.716 10.995 1.00 0.00 C ATOM 595 O GLY A 37 -10.192 1.703 10.319 1.00 0.00 O ATOM 0 H GLY A 37 -12.336 1.081 10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.025 -0.326 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.715 -1.277 11.070 1.00 0.00 H new ATOM 599 N ASP A 38 -8.673 0.443 11.396 1.00 0.00 N ATOM 600 CA ASP A 38 -7.550 1.314 11.057 1.00 0.00 C ATOM 601 C ASP A 38 -6.337 0.487 10.635 1.00 0.00 C ATOM 602 O ASP A 38 -5.813 -0.311 11.415 1.00 0.00 O ATOM 603 CB ASP A 38 -7.179 2.190 12.255 1.00 0.00 C ATOM 604 CG ASP A 38 -8.259 2.092 13.326 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.222 2.836 13.237 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.108 1.276 14.219 1.00 0.00 O ATOM 0 H ASP A 38 -8.422 -0.372 11.956 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.852 1.950 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.220 1.874 12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.064 3.226 11.937 1.00 0.00 H new ATOM 611 N TRP A 39 -5.900 0.679 9.394 1.00 0.00 N ATOM 612 CA TRP A 39 -4.752 -0.055 8.874 1.00 0.00 C ATOM 613 C TRP A 39 -3.957 0.805 7.900 1.00 0.00 C ATOM 614 O TRP A 39 -4.429 1.847 7.443 1.00 0.00 O ATOM 615 CB TRP A 39 -5.227 -1.316 8.155 1.00 0.00 C ATOM 616 CG TRP A 39 -6.592 -1.691 8.637 1.00 0.00 C ATOM 617 CD1 TRP A 39 -6.870 -2.277 9.826 1.00 0.00 C ATOM 618 CD2 TRP A 39 -7.866 -1.518 7.958 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.237 -2.478 9.914 1.00 0.00 N ATOM 620 CE2 TRP A 39 -8.895 -2.024 8.786 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.224 -0.973 6.714 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.233 -1.996 8.388 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -9.567 -0.943 6.312 1.00 0.00 C ATOM 624 CH2 TRP A 39 -10.569 -1.450 7.147 1.00 0.00 C ATOM 0 H TRP A 39 -6.321 1.333 8.733 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.111 -0.325 9.713 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.245 -1.147 7.078 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.530 -2.134 8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.145 -2.543 10.581 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.702 -2.908 10.713 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.460 -0.574 6.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.002 -2.393 9.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.830 -0.526 5.351 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.602 -1.419 6.832 1.00 0.00 H new ATOM 635 N THR A 40 -2.749 0.357 7.578 1.00 0.00 N ATOM 636 CA THR A 40 -1.904 1.084 6.646 1.00 0.00 C ATOM 637 C THR A 40 -2.019 0.470 5.262 1.00 0.00 C ATOM 638 O THR A 40 -1.903 -0.744 5.101 1.00 0.00 O ATOM 639 CB THR A 40 -0.446 1.054 7.107 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.409 1.007 8.525 1.00 0.00 O ATOM 641 CG2 THR A 40 0.274 2.314 6.625 1.00 0.00 C ATOM 0 H THR A 40 -2.337 -0.500 7.947 1.00 0.00 H new ATOM 0 HA THR A 40 -2.236 2.122 6.611 1.00 0.00 H new ATOM 0 HB THR A 40 0.049 0.176 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.523 0.986 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.312 2.289 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.241 2.358 5.536 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.217 3.195 7.039 1.00 0.00 H new ATOM 649 N LEU A 41 -2.261 1.319 4.270 1.00 0.00 N ATOM 650 CA LEU A 41 -2.417 0.854 2.896 1.00 0.00 C ATOM 651 C LEU A 41 -1.271 1.355 2.024 1.00 0.00 C ATOM 652 O LEU A 41 -1.024 2.554 1.955 1.00 0.00 O ATOM 653 CB LEU A 41 -3.772 1.340 2.332 1.00 0.00 C ATOM 654 CG LEU A 41 -3.673 1.625 0.820 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.267 0.360 0.077 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.022 2.094 0.283 1.00 0.00 C ATOM 0 H LEU A 41 -2.353 2.328 4.390 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.397 -0.236 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.537 0.585 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.085 2.243 2.856 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.925 2.403 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.200 0.571 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.298 0.019 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.012 -0.417 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.939 2.292 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.770 1.319 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.322 3.006 0.799 1.00 0.00 H new ATOM 668 N PHE A 42 -0.597 0.434 1.337 1.00 0.00 N ATOM 669 CA PHE A 42 0.507 0.801 0.452 1.00 0.00 C ATOM 670 C PHE A 42 0.091 0.641 -1.002 1.00 0.00 C ATOM 671 O PHE A 42 0.088 -0.464 -1.536 1.00 0.00 O ATOM 672 CB PHE A 42 1.717 -0.079 0.743 1.00 0.00 C ATOM 673 CG PHE A 42 2.637 0.650 1.684 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.328 0.731 3.047 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.808 1.237 1.196 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.190 1.404 3.919 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.667 1.911 2.070 1.00 0.00 C ATOM 678 CZ PHE A 42 4.360 1.992 3.432 1.00 0.00 C ATOM 0 H PHE A 42 -0.794 -0.566 1.376 1.00 0.00 H new ATOM 0 HA PHE A 42 0.769 1.844 0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.398 -1.023 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.239 -0.320 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.425 0.274 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.049 1.170 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.951 1.469 4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.569 2.370 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.027 2.509 4.107 1.00 0.00 H new ATOM 688 N VAL A 43 -0.286 1.752 -1.634 1.00 0.00 N ATOM 689 CA VAL A 43 -0.729 1.708 -3.019 1.00 0.00 C ATOM 690 C VAL A 43 0.337 2.267 -3.968 1.00 0.00 C ATOM 691 O VAL A 43 0.470 3.488 -4.110 1.00 0.00 O ATOM 692 CB VAL A 43 -2.029 2.501 -3.187 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.989 3.773 -2.357 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.238 2.852 -4.665 1.00 0.00 C ATOM 0 H VAL A 43 -0.292 2.681 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.902 0.663 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.859 1.885 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.921 4.323 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.865 3.517 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.153 4.393 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.164 3.416 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.401 3.455 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.298 1.935 -5.252 1.00 0.00 H new ATOM 704 N PRO A 44 1.090 1.421 -4.635 1.00 0.00 N ATOM 705 CA PRO A 44 2.121 1.887 -5.609 1.00 0.00 C ATOM 706 C PRO A 44 1.489 2.433 -6.893 1.00 0.00 C ATOM 707 O PRO A 44 0.461 1.933 -7.347 1.00 0.00 O ATOM 708 CB PRO A 44 2.934 0.623 -5.897 1.00 0.00 C ATOM 709 CG PRO A 44 2.008 -0.509 -5.628 1.00 0.00 C ATOM 710 CD PRO A 44 1.076 -0.054 -4.522 1.00 0.00 C ATOM 0 HA PRO A 44 2.721 2.708 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.285 0.608 -6.929 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.817 0.569 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.446 -0.771 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.561 -1.399 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.072 -0.456 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.425 -0.384 -3.543 1.00 0.00 H new ATOM 718 N THR A 45 2.108 3.460 -7.474 1.00 0.00 N ATOM 719 CA THR A 45 1.588 4.055 -8.702 1.00 0.00 C ATOM 720 C THR A 45 1.986 3.222 -9.918 1.00 0.00 C ATOM 721 O THR A 45 2.779 2.288 -9.808 1.00 0.00 O ATOM 722 CB THR A 45 2.132 5.476 -8.859 1.00 0.00 C ATOM 723 OG1 THR A 45 3.427 5.550 -8.277 1.00 0.00 O ATOM 724 CG2 THR A 45 1.195 6.456 -8.153 1.00 0.00 C ATOM 0 H THR A 45 2.961 3.893 -7.118 1.00 0.00 H new ATOM 0 HA THR A 45 0.500 4.082 -8.637 1.00 0.00 H new ATOM 0 HB THR A 45 2.195 5.732 -9.917 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.996 6.137 -8.818 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.579 7.470 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.202 6.394 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.135 6.203 -7.094 1.00 0.00 H new ATOM 732 N ASN A 46 1.430 3.568 -11.076 1.00 0.00 N ATOM 733 CA ASN A 46 1.738 2.842 -12.303 1.00 0.00 C ATOM 734 C ASN A 46 3.238 2.858 -12.574 1.00 0.00 C ATOM 735 O ASN A 46 3.777 1.939 -13.188 1.00 0.00 O ATOM 736 CB ASN A 46 0.997 3.475 -13.483 1.00 0.00 C ATOM 737 CG ASN A 46 1.980 3.795 -14.604 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.531 4.894 -14.652 1.00 0.00 O ATOM 739 ND2 ASN A 46 2.232 2.894 -15.514 1.00 0.00 N ATOM 0 H ASN A 46 0.771 4.338 -11.190 1.00 0.00 H new ATOM 0 HA ASN A 46 1.414 1.808 -12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.227 2.795 -13.847 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.492 4.385 -13.160 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.887 3.100 -16.268 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.774 1.984 -15.471 1.00 0.00 H new ATOM 746 N ASP A 47 3.907 3.908 -12.109 1.00 0.00 N ATOM 747 CA ASP A 47 5.347 4.032 -12.305 1.00 0.00 C ATOM 748 C ASP A 47 6.083 2.880 -11.626 1.00 0.00 C ATOM 749 O ASP A 47 7.242 2.604 -11.938 1.00 0.00 O ATOM 750 CB ASP A 47 5.840 5.364 -11.736 1.00 0.00 C ATOM 751 CG ASP A 47 5.408 6.514 -12.640 1.00 0.00 C ATOM 752 OD1 ASP A 47 6.083 6.752 -13.627 1.00 0.00 O ATOM 753 OD2 ASP A 47 4.408 7.142 -12.330 1.00 0.00 O ATOM 0 H ASP A 47 3.479 4.680 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 47 5.553 3.997 -13.375 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.439 5.510 -10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.926 5.350 -11.647 1.00 0.00 H new ATOM 758 N ALA A 48 5.411 2.205 -10.701 1.00 0.00 N ATOM 759 CA ALA A 48 6.016 1.094 -9.996 1.00 0.00 C ATOM 760 C ALA A 48 6.175 -0.107 -10.920 1.00 0.00 C ATOM 761 O ALA A 48 6.980 -1.000 -10.658 1.00 0.00 O ATOM 762 CB ALA A 48 5.134 0.714 -8.816 1.00 0.00 C ATOM 0 H ALA A 48 4.451 2.411 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 48 7.003 1.393 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.583 -0.122 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.039 1.567 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.147 0.425 -9.178 1.00 0.00 H new ATOM 768 N PHE A 49 5.398 -0.126 -11.998 1.00 0.00 N ATOM 769 CA PHE A 49 5.461 -1.228 -12.946 1.00 0.00 C ATOM 770 C PHE A 49 6.725 -1.138 -13.794 1.00 0.00 C ATOM 771 O PHE A 49 7.129 -2.112 -14.429 1.00 0.00 O ATOM 772 CB PHE A 49 4.230 -1.210 -13.854 1.00 0.00 C ATOM 773 CG PHE A 49 4.660 -1.047 -15.293 1.00 0.00 C ATOM 774 CD1 PHE A 49 4.959 0.226 -15.795 1.00 0.00 C ATOM 775 CD2 PHE A 49 4.765 -2.169 -16.125 1.00 0.00 C ATOM 776 CE1 PHE A 49 5.350 0.378 -17.131 1.00 0.00 C ATOM 777 CE2 PHE A 49 5.156 -2.016 -17.462 1.00 0.00 C ATOM 778 CZ PHE A 49 5.454 -0.743 -17.963 1.00 0.00 C ATOM 0 H PHE A 49 4.724 0.602 -12.234 1.00 0.00 H new ATOM 0 HA PHE A 49 5.482 -2.162 -12.384 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.666 -2.135 -13.736 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.567 -0.393 -13.568 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.888 1.090 -15.152 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.545 -3.152 -15.736 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.572 1.361 -17.520 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.227 -2.880 -18.106 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.764 -0.626 -18.991 1.00 0.00 H new ATOM 834 N THR A 53 8.774 -7.085 -15.832 1.00 0.00 N ATOM 835 CA THR A 53 8.627 -7.790 -17.096 1.00 0.00 C ATOM 836 C THR A 53 7.286 -8.513 -17.152 1.00 0.00 C ATOM 837 O THR A 53 6.681 -8.802 -16.119 1.00 0.00 O ATOM 838 CB THR A 53 9.761 -8.798 -17.271 1.00 0.00 C ATOM 839 OG1 THR A 53 9.407 -10.023 -16.646 1.00 0.00 O ATOM 840 CG2 THR A 53 11.029 -8.242 -16.629 1.00 0.00 C ATOM 0 HA THR A 53 8.668 -7.059 -17.903 1.00 0.00 H new ATOM 0 HB THR A 53 9.936 -8.974 -18.332 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.202 -10.422 -16.235 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.842 -8.957 -16.751 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.298 -7.302 -17.110 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.854 -8.069 -15.567 1.00 0.00 H new ATOM 848 N SER A 54 6.828 -8.800 -18.365 1.00 0.00 N ATOM 849 CA SER A 54 5.558 -9.489 -18.545 1.00 0.00 C ATOM 850 C SER A 54 5.595 -10.860 -17.879 1.00 0.00 C ATOM 851 O SER A 54 4.571 -11.364 -17.427 1.00 0.00 O ATOM 852 CB SER A 54 5.253 -9.653 -20.034 1.00 0.00 C ATOM 853 OG SER A 54 3.847 -9.587 -20.237 1.00 0.00 O ATOM 0 H SER A 54 7.313 -8.568 -19.232 1.00 0.00 H new ATOM 0 HA SER A 54 4.775 -8.890 -18.080 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.752 -8.871 -20.607 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.639 -10.607 -20.393 1.00 0.00 H new ATOM 0 HG SER A 54 3.649 -9.690 -21.191 1.00 0.00 H new ATOM 859 N GLU A 55 6.781 -11.455 -17.816 1.00 0.00 N ATOM 860 CA GLU A 55 6.932 -12.769 -17.204 1.00 0.00 C ATOM 861 C GLU A 55 6.994 -12.654 -15.686 1.00 0.00 C ATOM 862 O GLU A 55 6.434 -13.484 -14.971 1.00 0.00 O ATOM 863 CB GLU A 55 8.207 -13.434 -17.721 1.00 0.00 C ATOM 864 CG GLU A 55 8.327 -14.841 -17.133 1.00 0.00 C ATOM 865 CD GLU A 55 8.545 -15.856 -18.250 1.00 0.00 C ATOM 866 OE1 GLU A 55 7.903 -16.893 -18.215 1.00 0.00 O ATOM 867 OE2 GLU A 55 9.352 -15.582 -19.123 1.00 0.00 O ATOM 0 H GLU A 55 7.645 -11.052 -18.178 1.00 0.00 H new ATOM 0 HA GLU A 55 6.067 -13.376 -17.471 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.187 -13.484 -18.810 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.077 -12.838 -17.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.157 -14.880 -16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.424 -15.089 -16.576 1.00 0.00 H new ATOM 874 N GLU A 56 7.675 -11.620 -15.201 1.00 0.00 N ATOM 875 CA GLU A 56 7.807 -11.408 -13.764 1.00 0.00 C ATOM 876 C GLU A 56 6.437 -11.295 -13.107 1.00 0.00 C ATOM 877 O GLU A 56 6.220 -11.809 -12.009 1.00 0.00 O ATOM 878 CB GLU A 56 8.608 -10.133 -13.492 1.00 0.00 C ATOM 879 CG GLU A 56 9.934 -10.494 -12.822 1.00 0.00 C ATOM 880 CD GLU A 56 10.770 -11.368 -13.752 1.00 0.00 C ATOM 881 OE1 GLU A 56 11.211 -12.415 -13.309 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.957 -10.976 -14.892 1.00 0.00 O ATOM 0 H GLU A 56 8.141 -10.920 -15.778 1.00 0.00 H new ATOM 0 HA GLU A 56 8.331 -12.265 -13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.793 -9.602 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.036 -9.462 -12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.483 -9.586 -12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.746 -11.021 -11.886 1.00 0.00 H new ATOM 889 N LYS A 57 5.515 -10.617 -13.782 1.00 0.00 N ATOM 890 CA LYS A 57 4.168 -10.439 -13.250 1.00 0.00 C ATOM 891 C LYS A 57 3.312 -11.677 -13.516 1.00 0.00 C ATOM 892 O LYS A 57 2.473 -12.050 -12.696 1.00 0.00 O ATOM 893 CB LYS A 57 3.515 -9.215 -13.886 1.00 0.00 C ATOM 894 CG LYS A 57 3.474 -9.394 -15.404 1.00 0.00 C ATOM 895 CD LYS A 57 2.906 -8.127 -16.052 1.00 0.00 C ATOM 896 CE LYS A 57 3.881 -6.956 -15.874 1.00 0.00 C ATOM 897 NZ LYS A 57 3.385 -6.062 -14.790 1.00 0.00 N ATOM 0 H LYS A 57 5.673 -10.184 -14.692 1.00 0.00 H new ATOM 0 HA LYS A 57 4.241 -10.292 -12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.505 -9.084 -13.497 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.075 -8.316 -13.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.476 -9.592 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.858 -10.255 -15.663 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.727 -8.302 -17.113 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.944 -7.880 -15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.875 -7.330 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.973 -6.399 -16.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.194 -5.632 -14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.792 -5.313 -15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.822 -6.616 -14.113 1.00 0.00 H new ATOM 911 N GLU A 58 3.525 -12.311 -14.666 1.00 0.00 N ATOM 912 CA GLU A 58 2.767 -13.499 -15.022 1.00 0.00 C ATOM 913 C GLU A 58 2.970 -14.592 -13.978 1.00 0.00 C ATOM 914 O GLU A 58 2.032 -15.282 -13.600 1.00 0.00 O ATOM 915 CB GLU A 58 3.220 -14.002 -16.391 1.00 0.00 C ATOM 916 CG GLU A 58 2.267 -15.090 -16.863 1.00 0.00 C ATOM 917 CD GLU A 58 2.716 -15.624 -18.219 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.553 -16.513 -18.238 1.00 0.00 O ATOM 919 OE2 GLU A 58 2.218 -15.137 -19.220 1.00 0.00 O ATOM 0 H GLU A 58 4.213 -12.021 -15.361 1.00 0.00 H new ATOM 0 HA GLU A 58 1.708 -13.244 -15.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.236 -13.180 -17.107 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.236 -14.392 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.238 -15.901 -16.135 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.255 -14.692 -16.937 1.00 0.00 H new ATOM 926 N ILE A 59 4.201 -14.745 -13.513 1.00 0.00 N ATOM 927 CA ILE A 59 4.499 -15.762 -12.513 1.00 0.00 C ATOM 928 C ILE A 59 3.681 -15.534 -11.242 1.00 0.00 C ATOM 929 O ILE A 59 3.507 -16.444 -10.434 1.00 0.00 O ATOM 930 CB ILE A 59 5.989 -15.742 -12.178 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.791 -16.160 -13.413 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.267 -16.718 -11.034 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.186 -15.532 -13.360 1.00 0.00 C ATOM 0 H ILE A 59 5.002 -14.186 -13.807 1.00 0.00 H new ATOM 0 HA ILE A 59 4.232 -16.735 -12.925 1.00 0.00 H new ATOM 0 HB ILE A 59 6.282 -14.737 -11.876 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.872 -17.246 -13.455 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.274 -15.844 -14.319 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.330 -16.704 -10.794 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.693 -16.422 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.976 -17.724 -11.335 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.754 -15.832 -14.241 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.096 -14.446 -13.339 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.703 -15.870 -12.462 1.00 0.00 H new ATOM 945 N LEU A 60 3.183 -14.311 -11.072 1.00 0.00 N ATOM 946 CA LEU A 60 2.396 -13.970 -9.889 1.00 0.00 C ATOM 947 C LEU A 60 0.926 -14.342 -10.080 1.00 0.00 C ATOM 948 O LEU A 60 0.335 -15.035 -9.246 1.00 0.00 O ATOM 949 CB LEU A 60 2.506 -12.474 -9.615 1.00 0.00 C ATOM 950 CG LEU A 60 3.980 -12.069 -9.604 1.00 0.00 C ATOM 951 CD1 LEU A 60 4.093 -10.571 -9.331 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.714 -12.837 -8.502 1.00 0.00 C ATOM 0 H LEU A 60 3.309 -13.545 -11.733 1.00 0.00 H new ATOM 0 HA LEU A 60 2.789 -14.535 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.968 -11.912 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.044 -12.233 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 60 4.426 -12.302 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.144 -10.281 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.570 -10.018 -10.112 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.646 -10.343 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.765 -12.548 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.267 -12.603 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.634 -13.908 -8.689 1.00 0.00 H new ATOM 964 N ILE A 61 0.341 -13.869 -11.177 1.00 0.00 N ATOM 965 CA ILE A 61 -1.062 -14.148 -11.470 1.00 0.00 C ATOM 966 C ILE A 61 -1.259 -15.627 -11.782 1.00 0.00 C ATOM 967 O ILE A 61 -2.380 -16.133 -11.763 1.00 0.00 O ATOM 968 CB ILE A 61 -1.533 -13.298 -12.657 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.884 -13.800 -13.948 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.131 -11.840 -12.430 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.901 -14.599 -14.764 1.00 0.00 C ATOM 0 H ILE A 61 0.813 -13.294 -11.874 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.655 -13.894 -10.591 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.617 -13.376 -12.742 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.517 -12.957 -14.533 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.022 -14.424 -13.713 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.465 -11.235 -13.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.594 -11.473 -11.514 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.047 -11.771 -12.341 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.433 -14.954 -15.682 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.247 -15.452 -14.180 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.750 -13.962 -15.012 1.00 0.00 H new ATOM 983 N ARG A 62 -0.159 -16.316 -12.076 1.00 0.00 N ATOM 984 CA ARG A 62 -0.224 -17.736 -12.396 1.00 0.00 C ATOM 985 C ARG A 62 -0.668 -18.541 -11.182 1.00 0.00 C ATOM 986 O ARG A 62 -1.314 -19.579 -11.318 1.00 0.00 O ATOM 987 CB ARG A 62 1.146 -18.234 -12.865 1.00 0.00 C ATOM 988 CG ARG A 62 1.001 -19.589 -13.562 1.00 0.00 C ATOM 989 CD ARG A 62 1.216 -19.410 -15.066 1.00 0.00 C ATOM 990 NE ARG A 62 1.084 -20.689 -15.751 1.00 0.00 N ATOM 991 CZ ARG A 62 1.533 -20.855 -16.991 1.00 0.00 C ATOM 992 NH1 ARG A 62 2.132 -19.873 -17.605 1.00 0.00 N ATOM 993 NH2 ARG A 62 1.365 -21.998 -17.596 1.00 0.00 N ATOM 0 H ARG A 62 0.779 -15.917 -12.099 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.953 -17.872 -13.195 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.591 -17.510 -13.548 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.820 -18.324 -12.013 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.727 -20.297 -13.161 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.012 -20.005 -13.371 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.489 -18.701 -15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.205 -18.991 -15.252 1.00 0.00 H new ATOM 0 HE ARG A 62 0.639 -21.471 -15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.256 -18.977 -17.134 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.476 -20.001 -18.557 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.890 -22.763 -17.118 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.709 -22.127 -18.548 1.00 0.00 H new ATOM 1007 N ASP A 63 -0.315 -18.053 -9.996 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.677 -18.732 -8.756 1.00 0.00 C ATOM 1009 C ASP A 63 -1.601 -17.860 -7.926 1.00 0.00 C ATOM 1010 O ASP A 63 -1.284 -16.707 -7.633 1.00 0.00 O ATOM 1011 CB ASP A 63 0.578 -19.056 -7.947 1.00 0.00 C ATOM 1012 CG ASP A 63 1.070 -20.457 -8.292 1.00 0.00 C ATOM 1013 OD1 ASP A 63 1.426 -20.673 -9.438 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.078 -21.295 -7.405 1.00 0.00 O ATOM 0 H ASP A 63 0.219 -17.194 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.192 -19.658 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.358 -18.325 -8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.361 -18.989 -6.881 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.747 -18.412 -7.555 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.708 -17.664 -6.768 1.00 0.00 C ATOM 1021 C LYS A 64 -3.086 -17.218 -5.456 1.00 0.00 C ATOM 1022 O LYS A 64 -3.380 -16.135 -4.964 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.953 -18.524 -6.489 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.853 -17.865 -5.430 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.241 -16.451 -5.871 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.713 -16.211 -5.563 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.552 -16.956 -6.542 1.00 0.00 N ATOM 0 H LYS A 64 -3.029 -19.365 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.005 -16.782 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.515 -18.666 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.647 -19.513 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.750 -18.466 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.332 -17.825 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.625 -15.715 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.057 -16.328 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.942 -16.538 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.937 -15.145 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.503 -16.536 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.116 -16.901 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.623 -17.952 -6.251 1.00 0.00 H new ATOM 1041 N ASN A 65 -2.236 -18.056 -4.887 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.603 -17.724 -3.620 1.00 0.00 C ATOM 1043 C ASN A 65 -0.550 -16.639 -3.811 1.00 0.00 C ATOM 1044 O ASN A 65 -0.346 -15.797 -2.933 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.955 -18.976 -3.029 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.907 -19.646 -2.044 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -2.537 -20.652 -2.373 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.049 -19.149 -0.846 1.00 0.00 N ATOM 0 H ASN A 65 -1.970 -18.961 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.365 -17.348 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.697 -19.672 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.026 -18.710 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.682 -19.594 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.527 -18.316 -0.574 1.00 0.00 H new ATOM 1055 N ALA A 66 0.115 -16.668 -4.959 1.00 0.00 N ATOM 1056 CA ALA A 66 1.155 -15.691 -5.251 1.00 0.00 C ATOM 1057 C ALA A 66 0.560 -14.298 -5.417 1.00 0.00 C ATOM 1058 O ALA A 66 0.878 -13.368 -4.663 1.00 0.00 O ATOM 1059 CB ALA A 66 1.879 -16.086 -6.536 1.00 0.00 C ATOM 0 H ALA A 66 -0.046 -17.352 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 66 1.856 -15.674 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.657 -15.355 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.330 -17.070 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.167 -16.115 -7.361 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.311 -14.146 -6.403 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.925 -12.857 -6.626 1.00 0.00 C ATOM 1067 C LEU A 67 -1.613 -12.396 -5.352 1.00 0.00 C ATOM 1068 O LEU A 67 -1.678 -11.202 -5.075 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.925 -12.932 -7.800 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.381 -12.826 -7.301 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.315 -12.568 -8.474 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.770 -14.132 -6.608 1.00 0.00 C ATOM 0 H LEU A 67 -0.600 -14.884 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.156 -12.131 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.721 -12.128 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.789 -13.871 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.464 -11.998 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.341 -12.495 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.035 -11.635 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.239 -13.389 -9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.798 -14.063 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.684 -14.958 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.105 -14.307 -5.762 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.171 -13.340 -4.597 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.891 -12.980 -3.382 1.00 0.00 C ATOM 1086 C GLN A 68 -1.974 -12.252 -2.412 1.00 0.00 C ATOM 1087 O GLN A 68 -2.274 -11.143 -1.948 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.463 -14.228 -2.703 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.987 -14.293 -2.918 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.685 -13.336 -1.973 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.685 -12.062 -2.262 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.235 -13.747 -0.953 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.139 -14.339 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.711 -12.319 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.991 -15.122 -3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.238 -14.207 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.228 -14.038 -3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.343 -15.309 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.229 -14.744 -0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.697 -13.091 -0.323 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.853 -12.887 -2.103 1.00 0.00 N ATOM 1102 CA ASN A 69 0.101 -12.300 -1.185 1.00 0.00 C ATOM 1103 C ASN A 69 0.468 -10.901 -1.648 1.00 0.00 C ATOM 1104 O ASN A 69 0.676 -10.002 -0.833 1.00 0.00 O ATOM 1105 CB ASN A 69 1.359 -13.170 -1.102 1.00 0.00 C ATOM 1106 CG ASN A 69 2.386 -12.729 -2.136 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.628 -13.438 -3.112 1.00 0.00 O ATOM 1108 ND2 ASN A 69 3.018 -11.603 -1.975 1.00 0.00 N ATOM 0 H ASN A 69 -0.587 -13.800 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.351 -12.242 -0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.789 -13.102 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.096 -14.215 -1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.715 -11.307 -2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.816 -11.016 -1.165 1.00 0.00 H new ATOM 1115 N ILE A 70 0.547 -10.720 -2.963 1.00 0.00 N ATOM 1116 CA ILE A 70 0.892 -9.411 -3.513 1.00 0.00 C ATOM 1117 C ILE A 70 -0.327 -8.496 -3.545 1.00 0.00 C ATOM 1118 O ILE A 70 -0.219 -7.287 -3.334 1.00 0.00 O ATOM 1119 CB ILE A 70 1.444 -9.566 -4.926 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.828 -10.234 -4.868 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.545 -8.193 -5.600 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.846 -9.356 -4.113 1.00 0.00 C ATOM 0 H ILE A 70 0.380 -11.448 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 70 1.650 -8.964 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 70 0.771 -10.193 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.745 -11.203 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.186 -10.420 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.940 -8.311 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.556 -7.738 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.211 -7.552 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.813 -9.858 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.946 -8.397 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.499 -9.192 -3.093 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.487 -9.074 -3.810 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.711 -8.293 -3.866 1.00 0.00 C ATOM 1136 C ILE A 71 -2.832 -7.415 -2.633 1.00 0.00 C ATOM 1137 O ILE A 71 -3.079 -6.215 -2.740 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.920 -9.224 -3.945 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.217 -9.576 -5.402 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.143 -8.565 -3.316 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.084 -8.492 -6.039 1.00 0.00 C ATOM 0 H ILE A 71 -1.607 -10.071 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.679 -7.661 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.689 -10.136 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.284 -9.679 -5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.727 -10.538 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.995 -9.242 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.937 -8.340 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.372 -7.641 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.289 -8.754 -7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.024 -8.410 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.559 -7.538 -6.002 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.669 -8.016 -1.457 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.782 -7.255 -0.217 1.00 0.00 C ATOM 1155 C LEU A 72 -1.814 -6.081 -0.212 1.00 0.00 C ATOM 1156 O LEU A 72 -1.773 -5.306 0.742 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.494 -8.157 0.973 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.472 -9.328 0.954 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.689 -10.620 1.134 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.500 -9.166 2.083 1.00 0.00 C ATOM 0 H LEU A 72 -2.462 -9.008 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.799 -6.869 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.468 -8.522 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.594 -7.597 1.903 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.005 -9.354 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.376 -11.466 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.969 -10.726 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.160 -10.595 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.196 -10.005 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.985 -9.143 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.050 -8.235 1.943 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.037 -5.957 -1.284 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.073 -4.872 -1.396 1.00 0.00 C ATOM 1174 C TYR A 73 0.601 -4.603 -0.057 1.00 0.00 C ATOM 1175 O TYR A 73 0.859 -3.451 0.288 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.770 -3.600 -1.870 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.162 -3.752 -3.321 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -0.173 -3.868 -4.306 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.516 -3.790 -3.681 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -0.537 -4.020 -5.648 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -2.878 -3.940 -5.024 1.00 0.00 C ATOM 1182 CZ TYR A 73 -1.888 -4.056 -6.008 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.246 -4.210 -7.331 1.00 0.00 O ATOM 0 H TYR A 73 -1.057 -6.592 -2.082 1.00 0.00 H new ATOM 0 HA TYR A 73 0.686 -5.169 -2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.654 -3.408 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.108 -2.743 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.871 -3.840 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.279 -3.704 -2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.226 -4.110 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.921 -3.966 -5.302 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.560 -4.732 -7.797 1.00 0.00 H new ATOM 1193 N HIS A 74 0.877 -5.670 0.692 1.00 0.00 N ATOM 1194 CA HIS A 74 1.525 -5.538 1.992 1.00 0.00 C ATOM 1195 C HIS A 74 0.670 -4.719 2.945 1.00 0.00 C ATOM 1196 O HIS A 74 1.112 -3.697 3.466 1.00 0.00 O ATOM 1197 CB HIS A 74 2.903 -4.885 1.831 1.00 0.00 C ATOM 1198 CG HIS A 74 3.746 -5.735 0.923 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.282 -6.203 -0.298 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.026 -6.214 1.045 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.270 -6.928 -0.855 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.355 -6.968 -0.077 1.00 0.00 N ATOM 0 H HIS A 74 0.663 -6.630 0.421 1.00 0.00 H new ATOM 0 HA HIS A 74 1.648 -6.536 2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.798 -3.882 1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.385 -4.780 2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.680 -6.033 1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.195 -7.418 -1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.235 -7.448 -0.265 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.560 -5.170 3.178 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.441 -4.457 4.085 1.00 0.00 C ATOM 1213 C LEU A 75 -0.970 -4.652 5.514 1.00 0.00 C ATOM 1214 O LEU A 75 -0.750 -5.780 5.939 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.882 -4.974 3.932 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.625 -4.969 5.283 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.720 -3.539 5.807 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.037 -5.518 5.087 1.00 0.00 C ATOM 0 H LEU A 75 -0.959 -6.010 2.758 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.420 -3.394 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.420 -4.352 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.867 -5.986 3.527 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.081 -5.588 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.245 -3.536 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.717 -3.134 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.265 -2.925 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.564 -5.515 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.575 -4.893 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.981 -6.538 4.706 1.00 0.00 H new ATOM 1230 N THR A 76 -0.839 -3.557 6.258 1.00 0.00 N ATOM 1231 CA THR A 76 -0.409 -3.650 7.651 1.00 0.00 C ATOM 1232 C THR A 76 -1.465 -3.061 8.597 1.00 0.00 C ATOM 1233 O THR A 76 -2.046 -2.022 8.295 1.00 0.00 O ATOM 1234 CB THR A 76 0.927 -2.908 7.833 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.966 -3.859 7.997 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.887 -1.997 9.068 1.00 0.00 C ATOM 0 H THR A 76 -1.021 -2.609 5.927 1.00 0.00 H new ATOM 0 HA THR A 76 -0.280 -4.703 7.899 1.00 0.00 H new ATOM 0 HB THR A 76 1.105 -2.293 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.917 -4.245 8.896 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.843 -1.485 9.173 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.092 -1.261 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.697 -2.598 9.957 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.696 -3.667 9.745 1.00 0.00 N ATOM 1245 CA PRO A 77 -2.664 -3.137 10.746 1.00 0.00 C ATOM 1246 C PRO A 77 -2.085 -1.967 11.546 1.00 0.00 C ATOM 1247 O PRO A 77 -0.868 -1.815 11.650 1.00 0.00 O ATOM 1248 CB PRO A 77 -2.929 -4.336 11.651 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.682 -5.151 11.591 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.080 -4.925 10.209 1.00 0.00 C ATOM 0 HA PRO A 77 -3.564 -2.739 10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.144 -4.020 12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.791 -4.908 11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.984 -4.849 12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.901 -6.207 11.750 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.006 -4.842 10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.308 -5.751 9.536 1.00 0.00 H new ATOM 1258 N GLY A 78 -2.969 -1.152 12.111 1.00 0.00 N ATOM 1259 CA GLY A 78 -2.542 -0.006 12.905 1.00 0.00 C ATOM 1260 C GLY A 78 -1.971 1.096 12.021 1.00 0.00 C ATOM 1261 O GLY A 78 -0.927 0.924 11.390 1.00 0.00 O ATOM 0 H GLY A 78 -3.980 -1.263 12.035 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.388 0.382 13.473 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.790 -0.322 13.628 1.00 0.00 H new ATOM 1265 N VAL A 79 -2.660 2.230 11.984 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.211 3.361 11.179 1.00 0.00 C ATOM 1267 C VAL A 79 -0.838 3.840 11.643 1.00 0.00 C ATOM 1268 O VAL A 79 -0.548 3.869 12.839 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.212 4.510 11.281 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.527 4.108 10.615 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.470 4.837 12.751 1.00 0.00 C ATOM 0 H VAL A 79 -3.526 2.391 12.498 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.139 3.034 10.142 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.803 5.386 10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.239 4.930 10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.347 3.878 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.934 3.229 11.115 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.185 5.657 12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.875 3.959 13.253 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.535 5.129 13.228 1.00 0.00 H new ATOM 1281 N PHE A 80 0.006 4.215 10.687 1.00 0.00 N ATOM 1282 CA PHE A 80 1.346 4.694 11.010 1.00 0.00 C ATOM 1283 C PHE A 80 1.384 6.221 11.030 1.00 0.00 C ATOM 1284 O PHE A 80 1.004 6.869 10.054 1.00 0.00 O ATOM 1285 CB PHE A 80 2.354 4.170 9.987 1.00 0.00 C ATOM 1286 CG PHE A 80 2.968 5.335 9.252 1.00 0.00 C ATOM 1287 CD1 PHE A 80 2.424 5.758 8.034 1.00 0.00 C ATOM 1288 CD2 PHE A 80 4.072 6.003 9.795 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.990 6.842 7.354 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.639 7.085 9.114 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.095 7.509 7.897 1.00 0.00 C ATOM 0 H PHE A 80 -0.211 4.197 9.691 1.00 0.00 H new ATOM 0 HA PHE A 80 1.610 4.323 12.000 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.130 3.591 10.487 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.860 3.500 9.283 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.567 5.248 7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.486 5.683 10.740 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.575 7.164 6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.497 7.593 9.528 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.527 8.351 7.376 1.00 0.00 H new ATOM 1301 N ILE A 81 1.849 6.789 12.141 1.00 0.00 N ATOM 1302 CA ILE A 81 1.938 8.243 12.269 1.00 0.00 C ATOM 1303 C ILE A 81 3.389 8.674 12.423 1.00 0.00 C ATOM 1304 O ILE A 81 4.088 8.236 13.338 1.00 0.00 O ATOM 1305 CB ILE A 81 1.138 8.721 13.482 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.318 8.238 13.363 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.175 10.251 13.567 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.944 8.713 12.041 1.00 0.00 C ATOM 0 H ILE A 81 2.168 6.270 12.959 1.00 0.00 H new ATOM 0 HA ILE A 81 1.524 8.690 11.365 1.00 0.00 H new ATOM 0 HB ILE A 81 1.582 8.308 14.388 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.350 7.150 13.416 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.901 8.615 14.203 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.603 10.581 14.434 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.208 10.585 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.741 10.676 12.662 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.973 8.360 11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.931 9.802 12.003 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.372 8.314 11.203 1.00 0.00 H new ATOM 1405 N GLY A 88 13.982 9.132 11.827 1.00 0.00 N ATOM 1406 CA GLY A 88 15.410 8.860 11.709 1.00 0.00 C ATOM 1407 C GLY A 88 15.716 7.404 12.037 1.00 0.00 C ATOM 1408 O GLY A 88 16.737 6.868 11.610 1.00 0.00 O ATOM 0 HA2 GLY A 88 15.745 9.087 10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.965 9.513 12.382 1.00 0.00 H new ATOM 1412 N VAL A 89 14.832 6.771 12.798 1.00 0.00 N ATOM 1413 CA VAL A 89 15.029 5.379 13.170 1.00 0.00 C ATOM 1414 C VAL A 89 14.173 4.465 12.299 1.00 0.00 C ATOM 1415 O VAL A 89 13.049 4.810 11.936 1.00 0.00 O ATOM 1416 CB VAL A 89 14.664 5.182 14.641 1.00 0.00 C ATOM 1417 CG1 VAL A 89 14.989 6.458 15.422 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.168 4.876 14.768 1.00 0.00 C ATOM 0 H VAL A 89 13.980 7.195 13.166 1.00 0.00 H new ATOM 0 HA VAL A 89 16.077 5.122 13.018 1.00 0.00 H new ATOM 0 HB VAL A 89 15.238 4.348 15.045 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.729 6.319 16.471 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.054 6.675 15.338 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.416 7.290 15.014 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.913 4.736 15.819 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.591 5.707 14.362 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.934 3.967 14.214 1.00 0.00 H new ATOM 1428 N THR A 90 14.708 3.294 11.971 1.00 0.00 N ATOM 1429 CA THR A 90 13.971 2.342 11.153 1.00 0.00 C ATOM 1430 C THR A 90 13.249 1.333 12.044 1.00 0.00 C ATOM 1431 O THR A 90 13.858 0.739 12.934 1.00 0.00 O ATOM 1432 CB THR A 90 14.928 1.605 10.215 1.00 0.00 C ATOM 1433 OG1 THR A 90 15.742 2.548 9.532 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.125 0.790 9.201 1.00 0.00 C ATOM 0 H THR A 90 15.638 2.985 12.255 1.00 0.00 H new ATOM 0 HA THR A 90 13.236 2.886 10.560 1.00 0.00 H new ATOM 0 HB THR A 90 15.561 0.934 10.796 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.357 2.076 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.808 0.265 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.504 0.065 9.727 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.490 1.458 8.619 1.00 0.00 H new ATOM 1442 N ASN A 91 11.953 1.148 11.800 1.00 0.00 N ATOM 1443 CA ASN A 91 11.157 0.213 12.592 1.00 0.00 C ATOM 1444 C ASN A 91 10.666 -0.947 11.727 1.00 0.00 C ATOM 1445 O ASN A 91 10.221 -0.746 10.597 1.00 0.00 O ATOM 1446 CB ASN A 91 9.957 0.942 13.200 1.00 0.00 C ATOM 1447 CG ASN A 91 10.429 2.155 13.996 1.00 0.00 C ATOM 1448 OD1 ASN A 91 10.868 2.017 15.138 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.364 3.343 13.459 1.00 0.00 N ATOM 0 H ASN A 91 11.435 1.630 11.065 1.00 0.00 H new ATOM 0 HA ASN A 91 11.785 -0.187 13.388 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.275 1.258 12.410 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.401 0.265 13.849 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.677 4.159 13.986 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.000 3.456 12.513 1.00 0.00 H new ATOM 1456 N ILE A 92 10.748 -2.159 12.271 1.00 0.00 N ATOM 1457 CA ILE A 92 10.306 -3.349 11.550 1.00 0.00 C ATOM 1458 C ILE A 92 8.834 -3.615 11.838 1.00 0.00 C ATOM 1459 O ILE A 92 8.476 -4.061 12.929 1.00 0.00 O ATOM 1460 CB ILE A 92 11.139 -4.556 11.974 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.550 -4.093 12.372 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.219 -5.547 10.814 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.174 -3.248 11.255 1.00 0.00 C ATOM 0 H ILE A 92 11.115 -2.342 13.205 1.00 0.00 H new ATOM 0 HA ILE A 92 10.437 -3.182 10.481 1.00 0.00 H new ATOM 0 HB ILE A 92 10.672 -5.043 12.830 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.502 -3.511 13.292 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.179 -4.959 12.575 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.813 -6.410 11.113 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.215 -5.874 10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.686 -5.065 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.172 -2.929 11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.241 -3.842 10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.553 -2.371 11.072 1.00 0.00 H new ATOM 1475 N LEU A 93 7.986 -3.332 10.856 1.00 0.00 N ATOM 1476 CA LEU A 93 6.552 -3.533 11.015 1.00 0.00 C ATOM 1477 C LEU A 93 6.097 -4.788 10.287 1.00 0.00 C ATOM 1478 O LEU A 93 6.566 -5.090 9.193 1.00 0.00 O ATOM 1479 CB LEU A 93 5.789 -2.322 10.467 1.00 0.00 C ATOM 1480 CG LEU A 93 5.678 -1.233 11.540 1.00 0.00 C ATOM 1481 CD1 LEU A 93 7.041 -0.563 11.731 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.657 -0.182 11.095 1.00 0.00 C ATOM 0 H LEU A 93 8.265 -2.965 9.946 1.00 0.00 H new ATOM 0 HA LEU A 93 6.341 -3.649 12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.302 -1.927 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.794 -2.627 10.144 1.00 0.00 H new ATOM 0 HG LEU A 93 5.357 -1.682 12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.962 0.211 12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.772 -1.308 12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.361 -0.114 10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.577 0.593 11.857 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.981 0.265 10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.685 -0.655 10.955 1.00 0.00 H new ATOM 1494 N LYS A 94 5.174 -5.511 10.905 1.00 0.00 N ATOM 1495 CA LYS A 94 4.648 -6.729 10.311 1.00 0.00 C ATOM 1496 C LYS A 94 3.401 -6.424 9.494 1.00 0.00 C ATOM 1497 O LYS A 94 2.608 -5.556 9.860 1.00 0.00 O ATOM 1498 CB LYS A 94 4.314 -7.743 11.404 1.00 0.00 C ATOM 1499 CG LYS A 94 3.515 -7.062 12.511 1.00 0.00 C ATOM 1500 CD LYS A 94 4.392 -6.928 13.758 1.00 0.00 C ATOM 1501 CE LYS A 94 3.643 -6.131 14.826 1.00 0.00 C ATOM 1502 NZ LYS A 94 3.823 -6.785 16.153 1.00 0.00 N ATOM 0 H LYS A 94 4.776 -5.276 11.814 1.00 0.00 H new ATOM 0 HA LYS A 94 5.407 -7.150 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.740 -8.569 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.231 -8.167 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.179 -6.079 12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.622 -7.643 12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.651 -7.915 14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.327 -6.428 13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.017 -5.108 14.860 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.583 -6.076 14.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.313 -6.243 16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.446 -7.754 16.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.835 -6.816 16.390 1.00 0.00 H new ATOM 1516 N THR A 95 3.238 -7.141 8.386 1.00 0.00 N ATOM 1517 CA THR A 95 2.086 -6.937 7.517 1.00 0.00 C ATOM 1518 C THR A 95 1.240 -8.199 7.431 1.00 0.00 C ATOM 1519 O THR A 95 1.687 -9.290 7.784 1.00 0.00 O ATOM 1520 CB THR A 95 2.548 -6.524 6.120 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.727 -7.687 5.321 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.870 -5.767 6.228 1.00 0.00 C ATOM 0 H THR A 95 3.885 -7.864 8.071 1.00 0.00 H new ATOM 0 HA THR A 95 1.475 -6.141 7.943 1.00 0.00 H new ATOM 0 HB THR A 95 1.799 -5.880 5.660 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.308 -7.475 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.202 -5.471 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.731 -4.878 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.622 -6.411 6.685 1.00 0.00 H new ATOM 1530 N THR A 96 0.011 -8.039 6.955 1.00 0.00 N ATOM 1531 CA THR A 96 -0.902 -9.168 6.825 1.00 0.00 C ATOM 1532 C THR A 96 -0.400 -10.145 5.767 1.00 0.00 C ATOM 1533 O THR A 96 -0.639 -11.349 5.856 1.00 0.00 O ATOM 1534 CB THR A 96 -2.305 -8.672 6.449 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.259 -9.676 6.762 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.368 -8.364 4.951 1.00 0.00 C ATOM 0 H THR A 96 -0.375 -7.144 6.654 1.00 0.00 H new ATOM 0 HA THR A 96 -0.949 -9.684 7.784 1.00 0.00 H new ATOM 0 HB THR A 96 -2.525 -7.764 7.011 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.156 -9.361 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.367 -8.013 4.693 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.638 -7.592 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.144 -9.268 4.384 1.00 0.00 H new ATOM 1544 N GLN A 97 0.279 -9.615 4.753 1.00 0.00 N ATOM 1545 CA GLN A 97 0.792 -10.449 3.674 1.00 0.00 C ATOM 1546 C GLN A 97 1.615 -11.602 4.241 1.00 0.00 C ATOM 1547 O GLN A 97 1.742 -12.655 3.614 1.00 0.00 O ATOM 1548 CB GLN A 97 1.671 -9.607 2.746 1.00 0.00 C ATOM 1549 CG GLN A 97 2.367 -10.513 1.726 1.00 0.00 C ATOM 1550 CD GLN A 97 3.788 -10.820 2.185 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.989 -11.589 3.127 1.00 0.00 O ATOM 1552 NE2 GLN A 97 4.794 -10.260 1.571 1.00 0.00 N ATOM 0 H GLN A 97 0.485 -8.621 4.657 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.051 -10.855 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.063 -8.863 2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.414 -9.063 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.806 -11.440 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.388 -10.027 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.626 -9.624 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.749 -10.458 1.870 1.00 0.00 H new ATOM 1561 N GLY A 98 2.169 -11.400 5.434 1.00 0.00 N ATOM 1562 CA GLY A 98 2.974 -12.431 6.076 1.00 0.00 C ATOM 1563 C GLY A 98 4.457 -12.091 5.990 1.00 0.00 C ATOM 1564 O GLY A 98 5.308 -12.981 5.965 1.00 0.00 O ATOM 0 H GLY A 98 2.075 -10.538 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.679 -12.531 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.789 -13.393 5.599 1.00 0.00 H new ATOM 1568 N SER A 99 4.757 -10.797 5.945 1.00 0.00 N ATOM 1569 CA SER A 99 6.138 -10.343 5.862 1.00 0.00 C ATOM 1570 C SER A 99 6.352 -9.125 6.755 1.00 0.00 C ATOM 1571 O SER A 99 5.470 -8.740 7.525 1.00 0.00 O ATOM 1572 CB SER A 99 6.486 -9.996 4.412 1.00 0.00 C ATOM 1573 OG SER A 99 7.297 -11.028 3.861 1.00 0.00 O ATOM 0 H SER A 99 4.065 -10.048 5.965 1.00 0.00 H new ATOM 0 HA SER A 99 6.791 -11.145 6.205 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.575 -9.882 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.013 -9.043 4.371 1.00 0.00 H new ATOM 0 HG SER A 99 7.519 -10.809 2.932 1.00 0.00 H new ATOM 1579 N LYS A 100 7.535 -8.536 6.648 1.00 0.00 N ATOM 1580 CA LYS A 100 7.889 -7.369 7.446 1.00 0.00 C ATOM 1581 C LYS A 100 8.284 -6.202 6.549 1.00 0.00 C ATOM 1582 O LYS A 100 8.897 -6.393 5.499 1.00 0.00 O ATOM 1583 CB LYS A 100 9.049 -7.706 8.396 1.00 0.00 C ATOM 1584 CG LYS A 100 9.834 -8.925 7.883 1.00 0.00 C ATOM 1585 CD LYS A 100 10.530 -8.575 6.565 1.00 0.00 C ATOM 1586 CE LYS A 100 11.564 -9.647 6.232 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.425 -10.033 4.798 1.00 0.00 N ATOM 0 H LYS A 100 8.270 -8.849 6.013 1.00 0.00 H new ATOM 0 HA LYS A 100 7.016 -7.081 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.716 -6.848 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.661 -7.911 9.394 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.572 -9.232 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.159 -9.768 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.796 -8.502 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.013 -7.601 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.569 -9.272 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.421 -10.518 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.128 -10.764 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.469 -10.406 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.581 -9.199 4.197 1.00 0.00 H new ATOM 1601 N ILE A 101 7.923 -4.994 6.972 1.00 0.00 N ATOM 1602 CA ILE A 101 8.236 -3.798 6.203 1.00 0.00 C ATOM 1603 C ILE A 101 8.959 -2.780 7.078 1.00 0.00 C ATOM 1604 O ILE A 101 8.528 -2.484 8.192 1.00 0.00 O ATOM 1605 CB ILE A 101 6.946 -3.192 5.647 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.294 -2.033 4.711 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.084 -2.675 6.800 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.025 -1.509 4.024 1.00 0.00 C ATOM 0 H ILE A 101 7.416 -4.820 7.840 1.00 0.00 H new ATOM 0 HA ILE A 101 8.891 -4.070 5.375 1.00 0.00 H new ATOM 0 HB ILE A 101 6.394 -3.954 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.769 -1.230 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.012 -2.364 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.165 -2.244 6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.838 -3.500 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.634 -1.913 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.285 -0.684 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.567 -2.311 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.321 -1.159 4.779 1.00 0.00 H new ATOM 1620 N PHE A 102 10.068 -2.255 6.567 1.00 0.00 N ATOM 1621 CA PHE A 102 10.858 -1.280 7.311 1.00 0.00 C ATOM 1622 C PHE A 102 10.384 0.137 7.028 1.00 0.00 C ATOM 1623 O PHE A 102 10.368 0.579 5.879 1.00 0.00 O ATOM 1624 CB PHE A 102 12.330 -1.408 6.929 1.00 0.00 C ATOM 1625 CG PHE A 102 12.664 -2.854 6.652 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.473 -3.186 5.558 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.162 -3.864 7.481 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.793 -4.527 5.305 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.482 -5.202 7.227 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.291 -5.535 6.136 1.00 0.00 C ATOM 0 H PHE A 102 10.439 -2.487 5.645 1.00 0.00 H new ATOM 0 HA PHE A 102 10.733 -1.482 8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.540 -0.802 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.958 -1.028 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.850 -2.409 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.527 -3.610 8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.427 -4.782 4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.104 -5.979 7.875 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.528 -6.569 5.935 1.00 0.00 H new ATOM 1640 N LEU A 103 10.004 0.844 8.089 1.00 0.00 N ATOM 1641 CA LEU A 103 9.532 2.216 7.951 1.00 0.00 C ATOM 1642 C LEU A 103 10.508 3.190 8.595 1.00 0.00 C ATOM 1643 O LEU A 103 11.014 2.950 9.694 1.00 0.00 O ATOM 1644 CB LEU A 103 8.153 2.368 8.605 1.00 0.00 C ATOM 1645 CG LEU A 103 7.043 2.153 7.571 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.959 3.350 6.624 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.314 0.872 6.778 1.00 0.00 C ATOM 0 H LEU A 103 10.014 0.492 9.046 1.00 0.00 H new ATOM 0 HA LEU A 103 9.458 2.444 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.047 1.648 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.060 3.361 9.046 1.00 0.00 H new ATOM 0 HG LEU A 103 6.090 2.056 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.166 3.182 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.741 4.252 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.910 3.470 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.522 0.724 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.272 0.957 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.341 0.021 7.459 1.00 0.00 H new ATOM 1659 N LYS A 104 10.770 4.289 7.900 1.00 0.00 N ATOM 1660 CA LYS A 104 11.688 5.296 8.406 1.00 0.00 C ATOM 1661 C LYS A 104 11.335 6.674 7.848 1.00 0.00 C ATOM 1662 O LYS A 104 11.153 6.839 6.643 1.00 0.00 O ATOM 1663 CB LYS A 104 13.118 4.928 8.017 1.00 0.00 C ATOM 1664 CG LYS A 104 14.063 6.064 8.412 1.00 0.00 C ATOM 1665 CD LYS A 104 15.390 5.481 8.906 1.00 0.00 C ATOM 1666 CE LYS A 104 16.497 6.526 8.754 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.002 6.513 7.353 1.00 0.00 N ATOM 0 H LYS A 104 10.362 4.504 6.990 1.00 0.00 H new ATOM 0 HA LYS A 104 11.605 5.332 9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.415 4.004 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.179 4.747 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.237 6.719 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.609 6.673 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.301 5.180 9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.640 4.586 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.115 7.515 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.311 6.313 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.755 7.223 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.382 5.571 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.223 6.736 6.701 1.00 0.00 H new ATOM 1681 N GLU A 105 11.239 7.658 8.737 1.00 0.00 N ATOM 1682 CA GLU A 105 10.905 9.022 8.333 1.00 0.00 C ATOM 1683 C GLU A 105 12.048 9.973 8.660 1.00 0.00 C ATOM 1684 O GLU A 105 12.558 9.988 9.782 1.00 0.00 O ATOM 1685 CB GLU A 105 9.639 9.479 9.053 1.00 0.00 C ATOM 1686 CG GLU A 105 9.385 10.955 8.745 1.00 0.00 C ATOM 1687 CD GLU A 105 7.926 11.300 9.012 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.069 10.675 8.408 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.684 12.185 9.817 1.00 0.00 O ATOM 0 H GLU A 105 11.387 7.538 9.739 1.00 0.00 H new ATOM 0 HA GLU A 105 10.737 9.033 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.788 8.878 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.746 9.333 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.033 11.580 9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.632 11.166 7.705 1.00 0.00 H new ATOM 1696 N VAL A 106 12.448 10.765 7.672 1.00 0.00 N ATOM 1697 CA VAL A 106 13.535 11.718 7.858 1.00 0.00 C ATOM 1698 C VAL A 106 13.190 13.056 7.211 1.00 0.00 C ATOM 1699 O VAL A 106 12.674 13.106 6.096 1.00 0.00 O ATOM 1700 CB VAL A 106 14.824 11.173 7.244 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.847 12.303 7.115 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.394 10.076 8.145 1.00 0.00 C ATOM 0 H VAL A 106 12.038 10.766 6.738 1.00 0.00 H new ATOM 0 HA VAL A 106 13.679 11.868 8.928 1.00 0.00 H new ATOM 0 HB VAL A 106 14.609 10.762 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.766 11.914 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.444 13.087 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.061 12.714 8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.313 9.687 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.608 10.489 9.131 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.667 9.269 8.240 1.00 0.00 H new ATOM 1712 N ASN A 107 13.478 14.140 7.920 1.00 0.00 N ATOM 1713 CA ASN A 107 13.191 15.471 7.404 1.00 0.00 C ATOM 1714 C ASN A 107 11.729 15.580 6.988 1.00 0.00 C ATOM 1715 O ASN A 107 11.408 16.211 5.983 1.00 0.00 O ATOM 1716 CB ASN A 107 14.083 15.775 6.199 1.00 0.00 C ATOM 1717 CG ASN A 107 15.523 15.972 6.657 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.768 16.622 7.672 1.00 0.00 O ATOM 1719 ND2 ASN A 107 16.495 15.447 5.963 1.00 0.00 N ATOM 0 H ASN A 107 13.906 14.124 8.846 1.00 0.00 H new ATOM 0 HA ASN A 107 13.392 16.193 8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.029 14.957 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.728 16.671 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.462 15.575 6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.288 14.909 5.122 1.00 0.00 H new ATOM 1726 N ASP A 108 10.845 14.961 7.769 1.00 0.00 N ATOM 1727 CA ASP A 108 9.414 14.997 7.472 1.00 0.00 C ATOM 1728 C ASP A 108 9.110 14.211 6.196 1.00 0.00 C ATOM 1729 O ASP A 108 7.982 14.225 5.699 1.00 0.00 O ATOM 1730 CB ASP A 108 8.946 16.452 7.311 1.00 0.00 C ATOM 1731 CG ASP A 108 8.542 16.726 5.865 1.00 0.00 C ATOM 1732 OD1 ASP A 108 7.363 16.620 5.572 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.416 17.032 5.070 1.00 0.00 O ATOM 0 H ASP A 108 11.092 14.432 8.606 1.00 0.00 H new ATOM 0 HA ASP A 108 8.878 14.537 8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.102 16.644 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.745 17.132 7.607 1.00 0.00 H new ATOM 1738 N THR A 109 10.119 13.521 5.674 1.00 0.00 N ATOM 1739 CA THR A 109 9.945 12.739 4.458 1.00 0.00 C ATOM 1740 C THR A 109 9.761 11.268 4.791 1.00 0.00 C ATOM 1741 O THR A 109 10.558 10.683 5.523 1.00 0.00 O ATOM 1742 CB THR A 109 11.162 12.909 3.549 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.505 14.287 3.471 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.827 12.382 2.154 1.00 0.00 C ATOM 0 H THR A 109 11.058 13.488 6.071 1.00 0.00 H new ATOM 0 HA THR A 109 9.054 13.098 3.943 1.00 0.00 H new ATOM 0 HB THR A 109 12.005 12.350 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.286 14.397 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.693 12.501 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.564 11.326 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.986 12.942 1.746 1.00 0.00 H new ATOM 1752 N LEU A 110 8.705 10.678 4.250 1.00 0.00 N ATOM 1753 CA LEU A 110 8.427 9.270 4.500 1.00 0.00 C ATOM 1754 C LEU A 110 9.325 8.388 3.638 1.00 0.00 C ATOM 1755 O LEU A 110 9.192 8.364 2.413 1.00 0.00 O ATOM 1756 CB LEU A 110 6.962 8.961 4.191 1.00 0.00 C ATOM 1757 CG LEU A 110 6.483 7.793 5.061 1.00 0.00 C ATOM 1758 CD1 LEU A 110 5.067 7.398 4.652 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.407 6.588 4.877 1.00 0.00 C ATOM 0 H LEU A 110 8.033 11.145 3.642 1.00 0.00 H new ATOM 0 HA LEU A 110 8.627 9.061 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.348 9.842 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.848 8.711 3.136 1.00 0.00 H new ATOM 0 HG LEU A 110 6.496 8.104 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.728 6.568 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.399 8.248 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.062 7.096 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.058 5.764 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.401 6.281 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.421 6.859 5.169 1.00 0.00 H new ATOM 1771 N LEU A 111 10.230 7.660 4.287 1.00 0.00 N ATOM 1772 CA LEU A 111 11.137 6.768 3.578 1.00 0.00 C ATOM 1773 C LEU A 111 10.924 5.332 4.033 1.00 0.00 C ATOM 1774 O LEU A 111 11.153 4.988 5.194 1.00 0.00 O ATOM 1775 CB LEU A 111 12.590 7.183 3.824 1.00 0.00 C ATOM 1776 CG LEU A 111 12.790 8.632 3.366 1.00 0.00 C ATOM 1777 CD1 LEU A 111 14.243 9.026 3.534 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.439 8.762 1.888 1.00 0.00 C ATOM 0 H LEU A 111 10.353 7.671 5.299 1.00 0.00 H new ATOM 0 HA LEU A 111 10.927 6.836 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.833 7.088 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.266 6.522 3.281 1.00 0.00 H new ATOM 0 HG LEU A 111 12.148 9.276 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.381 10.057 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.525 8.937 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.870 8.368 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.583 9.794 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.084 8.108 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.398 8.477 1.735 1.00 0.00 H new ATOM 1790 N VAL A 112 10.475 4.495 3.105 1.00 0.00 N ATOM 1791 CA VAL A 112 10.227 3.092 3.416 1.00 0.00 C ATOM 1792 C VAL A 112 11.309 2.226 2.793 1.00 0.00 C ATOM 1793 O VAL A 112 11.661 2.416 1.636 1.00 0.00 O ATOM 1794 CB VAL A 112 8.844 2.669 2.894 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.406 3.591 1.752 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.881 1.214 2.398 1.00 0.00 C ATOM 0 H VAL A 112 10.277 4.760 2.140 1.00 0.00 H new ATOM 0 HA VAL A 112 10.246 2.960 4.498 1.00 0.00 H new ATOM 0 HB VAL A 112 8.128 2.747 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.425 3.282 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.352 4.618 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.128 3.530 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.895 0.929 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.608 1.123 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.167 0.557 3.219 1.00 0.00 H new ATOM 1806 N ASN A 113 11.821 1.267 3.558 1.00 0.00 N ATOM 1807 CA ASN A 113 12.860 0.369 3.056 1.00 0.00 C ATOM 1808 C ASN A 113 14.056 1.165 2.544 1.00 0.00 C ATOM 1809 O ASN A 113 15.104 1.212 3.190 1.00 0.00 O ATOM 1810 CB ASN A 113 12.301 -0.504 1.928 1.00 0.00 C ATOM 1811 CG ASN A 113 11.789 -1.826 2.495 1.00 0.00 C ATOM 1812 OD1 ASN A 113 10.614 -1.942 2.843 1.00 0.00 O ATOM 1813 ND2 ASN A 113 12.607 -2.837 2.607 1.00 0.00 N ATOM 0 H ASN A 113 11.537 1.091 4.522 1.00 0.00 H new ATOM 0 HA ASN A 113 13.188 -0.269 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.492 0.020 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.076 -0.693 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.273 -3.724 2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.580 -2.740 2.318 1.00 0.00 H new ATOM 1820 N GLU A 114 13.893 1.790 1.384 1.00 0.00 N ATOM 1821 CA GLU A 114 14.960 2.585 0.798 1.00 0.00 C ATOM 1822 C GLU A 114 14.455 3.351 -0.424 1.00 0.00 C ATOM 1823 O GLU A 114 15.058 3.302 -1.495 1.00 0.00 O ATOM 1824 CB GLU A 114 16.125 1.679 0.401 1.00 0.00 C ATOM 1825 CG GLU A 114 15.579 0.390 -0.214 1.00 0.00 C ATOM 1826 CD GLU A 114 16.493 -0.074 -1.341 1.00 0.00 C ATOM 1827 OE1 GLU A 114 17.325 -0.929 -1.089 1.00 0.00 O ATOM 1828 OE2 GLU A 114 16.345 0.432 -2.442 1.00 0.00 O ATOM 0 H GLU A 114 13.035 1.761 0.834 1.00 0.00 H new ATOM 0 HA GLU A 114 15.301 3.307 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.771 2.190 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.735 1.448 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.506 -0.385 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.572 0.557 -0.596 1.00 0.00 H new ATOM 1835 N LEU A 115 13.345 4.062 -0.252 1.00 0.00 N ATOM 1836 CA LEU A 115 12.768 4.839 -1.346 1.00 0.00 C ATOM 1837 C LEU A 115 11.897 5.968 -0.814 1.00 0.00 C ATOM 1838 O LEU A 115 11.386 5.902 0.308 1.00 0.00 O ATOM 1839 CB LEU A 115 11.928 3.928 -2.249 1.00 0.00 C ATOM 1840 CG LEU A 115 10.784 3.312 -1.422 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.486 4.128 -1.551 1.00 0.00 C ATOM 1842 CD2 LEU A 115 10.529 1.879 -1.893 1.00 0.00 C ATOM 0 H LEU A 115 12.830 4.117 0.627 1.00 0.00 H new ATOM 0 HA LEU A 115 13.586 5.273 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.523 4.498 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.551 3.141 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 115 11.086 3.319 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.702 3.662 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.658 5.144 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.177 4.157 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.719 1.442 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.252 1.886 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.434 1.286 -1.760 1.00 0.00 H new ATOM 1854 N LYS A 116 11.730 7.007 -1.634 1.00 0.00 N ATOM 1855 CA LYS A 116 10.922 8.145 -1.253 1.00 0.00 C ATOM 1856 C LYS A 116 9.462 7.925 -1.638 1.00 0.00 C ATOM 1857 O LYS A 116 9.161 7.495 -2.751 1.00 0.00 O ATOM 1858 CB LYS A 116 11.448 9.404 -1.937 1.00 0.00 C ATOM 1859 CG LYS A 116 12.936 9.578 -1.618 1.00 0.00 C ATOM 1860 CD LYS A 116 13.205 11.012 -1.148 1.00 0.00 C ATOM 1861 CE LYS A 116 14.663 11.137 -0.704 1.00 0.00 C ATOM 1862 NZ LYS A 116 15.556 11.036 -1.893 1.00 0.00 N ATOM 0 H LYS A 116 12.147 7.075 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 116 10.982 8.264 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 116 11.303 9.332 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.888 10.276 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.236 8.870 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.534 9.357 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.998 11.715 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 116 12.539 11.267 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.820 12.090 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.904 10.352 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.521 11.321 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.567 10.054 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.205 11.662 -2.645 1.00 0.00 H new ATOM 1876 N SER A 117 8.560 8.223 -0.709 1.00 0.00 N ATOM 1877 CA SER A 117 7.132 8.051 -0.963 1.00 0.00 C ATOM 1878 C SER A 117 6.567 9.260 -1.701 1.00 0.00 C ATOM 1879 O SER A 117 7.049 10.381 -1.538 1.00 0.00 O ATOM 1880 CB SER A 117 6.383 7.863 0.355 1.00 0.00 C ATOM 1881 OG SER A 117 7.226 7.187 1.278 1.00 0.00 O ATOM 0 H SER A 117 8.788 8.581 0.218 1.00 0.00 H new ATOM 0 HA SER A 117 7.001 7.165 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.084 8.830 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.470 7.290 0.190 1.00 0.00 H new ATOM 0 HG SER A 117 7.846 7.828 1.684 1.00 0.00 H new ATOM 1887 N LYS A 118 5.538 9.027 -2.513 1.00 0.00 N ATOM 1888 CA LYS A 118 4.915 10.107 -3.267 1.00 0.00 C ATOM 1889 C LYS A 118 3.944 10.879 -2.386 1.00 0.00 C ATOM 1890 O LYS A 118 3.981 12.109 -2.334 1.00 0.00 O ATOM 1891 CB LYS A 118 4.158 9.537 -4.464 1.00 0.00 C ATOM 1892 CG LYS A 118 5.144 8.848 -5.414 1.00 0.00 C ATOM 1893 CD LYS A 118 5.215 9.596 -6.750 1.00 0.00 C ATOM 1894 CE LYS A 118 5.928 10.938 -6.554 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.184 11.562 -7.881 1.00 0.00 N ATOM 0 H LYS A 118 5.123 8.108 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 118 5.699 10.781 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.405 8.825 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.630 10.335 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.133 8.812 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.834 7.817 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.748 8.995 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.210 9.761 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.317 11.600 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.868 10.788 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.668 12.473 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.783 10.931 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.280 11.718 -8.371 1.00 0.00 H new ATOM 1909 N GLU A 119 3.075 10.152 -1.692 1.00 0.00 N ATOM 1910 CA GLU A 119 2.100 10.789 -0.816 1.00 0.00 C ATOM 1911 C GLU A 119 1.604 9.803 0.234 1.00 0.00 C ATOM 1912 O GLU A 119 1.312 8.654 -0.078 1.00 0.00 O ATOM 1913 CB GLU A 119 0.913 11.302 -1.637 1.00 0.00 C ATOM 1914 CG GLU A 119 0.414 12.626 -1.052 1.00 0.00 C ATOM 1915 CD GLU A 119 1.252 13.781 -1.588 1.00 0.00 C ATOM 1916 OE1 GLU A 119 1.752 14.548 -0.782 1.00 0.00 O ATOM 1917 OE2 GLU A 119 1.380 13.882 -2.797 1.00 0.00 O ATOM 0 H GLU A 119 3.026 9.134 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 119 2.583 11.628 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.211 11.442 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.110 10.565 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.634 12.775 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.473 12.597 0.036 1.00 0.00 H new ATOM 1924 N SER A 120 1.514 10.259 1.476 1.00 0.00 N ATOM 1925 CA SER A 120 1.055 9.397 2.558 1.00 0.00 C ATOM 1926 C SER A 120 0.552 10.236 3.725 1.00 0.00 C ATOM 1927 O SER A 120 0.677 11.459 3.715 1.00 0.00 O ATOM 1928 CB SER A 120 2.201 8.506 3.033 1.00 0.00 C ATOM 1929 OG SER A 120 2.792 7.861 1.913 1.00 0.00 O ATOM 0 H SER A 120 1.750 11.210 1.758 1.00 0.00 H new ATOM 0 HA SER A 120 0.239 8.777 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.947 9.103 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.830 7.764 3.740 1.00 0.00 H new ATOM 0 HG SER A 120 2.136 7.799 1.188 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.013 9.569 4.726 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.529 10.268 5.900 1.00 0.00 C ATOM 1937 C ASP A 121 -1.823 10.998 5.561 1.00 0.00 C ATOM 1938 O ASP A 121 -2.347 11.758 6.374 1.00 0.00 O ATOM 1939 CB ASP A 121 0.507 11.274 6.420 1.00 0.00 C ATOM 1940 CG ASP A 121 1.918 10.737 6.201 1.00 0.00 C ATOM 1941 OD1 ASP A 121 2.696 11.415 5.549 1.00 0.00 O ATOM 1942 OD2 ASP A 121 2.199 9.654 6.687 1.00 0.00 O ATOM 0 H ASP A 121 -0.125 8.555 4.750 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.731 9.529 6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.389 12.228 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.342 11.462 7.481 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.338 10.759 4.358 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.573 11.399 3.931 1.00 0.00 C ATOM 1949 C ILE A 122 -4.626 11.306 5.025 1.00 0.00 C ATOM 1950 O ILE A 122 -5.540 12.129 5.091 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.071 10.728 2.655 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.363 11.345 1.448 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.577 10.929 2.514 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.853 11.186 1.601 1.00 0.00 C ATOM 0 H ILE A 122 -1.922 10.132 3.669 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.383 12.454 3.734 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.855 9.661 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.698 10.861 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.621 12.401 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.924 10.447 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.085 10.489 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.799 11.995 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.352 11.627 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.524 11.691 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.603 10.127 1.664 1.00 0.00 H new ATOM 1966 N MET A 123 -4.499 10.293 5.870 1.00 0.00 N ATOM 1967 CA MET A 123 -5.443 10.090 6.961 1.00 0.00 C ATOM 1968 C MET A 123 -6.864 9.942 6.430 1.00 0.00 C ATOM 1969 O MET A 123 -7.494 10.921 6.032 1.00 0.00 O ATOM 1970 CB MET A 123 -5.378 11.268 7.937 1.00 0.00 C ATOM 1971 CG MET A 123 -4.008 11.299 8.614 1.00 0.00 C ATOM 1972 SD MET A 123 -4.203 10.975 10.381 1.00 0.00 S ATOM 1973 CE MET A 123 -4.727 9.250 10.241 1.00 0.00 C ATOM 0 H MET A 123 -3.753 9.599 5.822 1.00 0.00 H new ATOM 0 HA MET A 123 -5.169 9.172 7.481 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.553 12.203 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.163 11.175 8.687 1.00 0.00 H new ATOM 0 HG2 MET A 123 -3.352 10.552 8.166 1.00 0.00 H new ATOM 0 HG3 MET A 123 -3.537 12.270 8.461 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.667 8.771 11.218 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.755 9.210 9.880 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.076 8.728 9.540 1.00 0.00 H new ATOM 1983 N THR A 124 -7.362 8.708 6.428 1.00 0.00 N ATOM 1984 CA THR A 124 -8.714 8.444 5.952 1.00 0.00 C ATOM 1985 C THR A 124 -9.687 8.401 7.123 1.00 0.00 C ATOM 1986 O THR A 124 -9.321 8.705 8.258 1.00 0.00 O ATOM 1987 CB THR A 124 -8.768 7.124 5.182 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.820 6.036 6.094 1.00 0.00 O ATOM 1989 CG2 THR A 124 -7.522 7.007 4.314 1.00 0.00 C ATOM 0 H THR A 124 -6.854 7.883 6.748 1.00 0.00 H new ATOM 0 HA THR A 124 -9.002 9.252 5.279 1.00 0.00 H new ATOM 0 HB THR A 124 -9.659 7.102 4.554 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.400 6.298 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.551 6.068 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.487 7.841 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 124 -6.635 7.028 4.947 1.00 0.00 H new ATOM 1997 N THR A 125 -10.928 8.026 6.838 1.00 0.00 N ATOM 1998 CA THR A 125 -11.956 7.952 7.868 1.00 0.00 C ATOM 1999 C THR A 125 -11.911 6.601 8.575 1.00 0.00 C ATOM 2000 O THR A 125 -12.447 6.446 9.673 1.00 0.00 O ATOM 2001 CB THR A 125 -13.340 8.153 7.242 1.00 0.00 C ATOM 2002 OG1 THR A 125 -13.893 6.887 6.914 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.225 9.008 5.974 1.00 0.00 C ATOM 0 H THR A 125 -11.246 7.769 5.904 1.00 0.00 H new ATOM 0 HA THR A 125 -11.768 8.740 8.598 1.00 0.00 H new ATOM 0 HB THR A 125 -13.987 8.664 7.955 1.00 0.00 H new ATOM 0 HG1 THR A 125 -13.629 6.641 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.214 9.145 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 125 -12.803 9.980 6.228 1.00 0.00 H new ATOM 0 HG23 THR A 125 -12.577 8.507 5.255 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.270 5.626 7.939 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.165 4.289 8.514 1.00 0.00 C ATOM 2013 C ASN A 126 -9.735 3.762 8.406 1.00 0.00 C ATOM 2014 O ASN A 126 -9.515 2.562 8.247 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.122 3.339 7.798 1.00 0.00 C ATOM 2016 CG ASN A 126 -13.535 3.916 7.824 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -14.219 3.931 6.800 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -14.015 4.398 8.939 1.00 0.00 N ATOM 0 H ASN A 126 -10.818 5.735 7.031 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.433 4.347 9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.799 3.190 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.109 2.362 8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.957 4.787 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.447 4.385 9.786 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.763 4.667 8.490 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.360 4.273 8.407 1.00 0.00 C ATOM 2027 C GLY A 127 -6.533 5.341 7.701 1.00 0.00 C ATOM 2028 O GLY A 127 -6.997 6.461 7.496 1.00 0.00 O ATOM 0 H GLY A 127 -8.919 5.667 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.966 4.106 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.275 3.328 7.870 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.309 4.984 7.328 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.424 5.917 6.637 1.00 0.00 C ATOM 2034 C VAL A 128 -4.058 5.374 5.270 1.00 0.00 C ATOM 2035 O VAL A 128 -4.246 4.188 4.994 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.149 6.138 7.454 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.296 4.870 7.435 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.341 7.299 6.867 1.00 0.00 C ATOM 0 H VAL A 128 -4.908 4.061 7.491 1.00 0.00 H new ATOM 0 HA VAL A 128 -4.946 6.867 6.520 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.428 6.376 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.389 5.033 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.862 4.044 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.027 4.628 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.436 7.447 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.069 7.069 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.942 8.208 6.890 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.536 6.249 4.419 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.144 5.852 3.075 1.00 0.00 C ATOM 2050 C ILE A 129 -1.660 6.116 2.850 1.00 0.00 C ATOM 2051 O ILE A 129 -1.082 7.046 3.426 1.00 0.00 O ATOM 2052 CB ILE A 129 -3.985 6.622 2.037 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.121 5.730 1.530 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.123 7.055 0.840 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.119 6.575 0.729 1.00 0.00 C ATOM 0 H ILE A 129 -3.375 7.233 4.635 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.324 4.783 2.959 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.389 7.511 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -4.720 4.933 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.625 5.253 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.741 7.596 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.318 7.703 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.698 6.174 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -6.927 5.939 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.530 7.356 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.610 7.031 -0.120 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.056 5.303 1.991 1.00 0.00 N ATOM 2068 CA HIS A 130 0.354 5.462 1.667 1.00 0.00 C ATOM 2069 C HIS A 130 0.582 5.208 0.183 1.00 0.00 C ATOM 2070 O HIS A 130 0.454 4.081 -0.290 1.00 0.00 O ATOM 2071 CB HIS A 130 1.201 4.494 2.495 1.00 0.00 C ATOM 2072 CG HIS A 130 2.664 4.805 2.340 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.412 5.271 1.284 1.00 0.00 N flip ATOM 2074 CD2 HIS A 130 3.564 4.594 3.370 1.00 0.00 C flip ATOM 2075 CE1 HIS A 130 4.751 5.339 1.653 1.00 0.00 C flip ATOM 2076 NE2 HIS A 130 4.787 4.919 2.916 1.00 0.00 N flip ATOM 0 H HIS A 130 -1.518 4.532 1.510 1.00 0.00 H new ATOM 0 HA HIS A 130 0.652 6.483 1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.919 4.562 3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 130 1.006 3.469 2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.327 4.233 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.583 5.663 1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.640 4.852 3.472 1.00 0.00 H new ATOM 2085 N VAL A 131 0.941 6.271 -0.532 1.00 0.00 N ATOM 2086 CA VAL A 131 1.213 6.185 -1.968 1.00 0.00 C ATOM 2087 C VAL A 131 2.706 6.159 -2.240 1.00 0.00 C ATOM 2088 O VAL A 131 3.428 7.097 -1.892 1.00 0.00 O ATOM 2089 CB VAL A 131 0.588 7.373 -2.699 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.745 7.179 -4.208 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.896 7.457 -2.356 1.00 0.00 C ATOM 0 H VAL A 131 1.051 7.206 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 131 0.772 5.258 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 131 1.087 8.292 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.300 8.025 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.804 7.113 -4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.243 6.260 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.342 8.304 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.393 6.538 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.014 7.589 -1.281 1.00 0.00 H new ATOM 2101 N VAL A 132 3.155 5.077 -2.871 1.00 0.00 N ATOM 2102 CA VAL A 132 4.575 4.931 -3.202 1.00 0.00 C ATOM 2103 C VAL A 132 4.765 4.794 -4.711 1.00 0.00 C ATOM 2104 O VAL A 132 3.793 4.729 -5.463 1.00 0.00 O ATOM 2105 CB VAL A 132 5.165 3.706 -2.495 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.033 3.866 -0.981 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.412 2.457 -2.942 1.00 0.00 C ATOM 0 H VAL A 132 2.567 4.296 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 132 5.096 5.826 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 132 6.220 3.613 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.454 2.992 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.570 4.759 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.980 3.962 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.828 1.583 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.358 2.556 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.511 2.339 -4.021 1.00 0.00 H new ATOM 2117 N ASP A 133 6.024 4.755 -5.144 1.00 0.00 N ATOM 2118 CA ASP A 133 6.333 4.634 -6.566 1.00 0.00 C ATOM 2119 C ASP A 133 7.209 3.414 -6.827 1.00 0.00 C ATOM 2120 O ASP A 133 8.139 3.467 -7.632 1.00 0.00 O ATOM 2121 CB ASP A 133 7.051 5.894 -7.052 1.00 0.00 C ATOM 2122 CG ASP A 133 6.805 6.091 -8.544 1.00 0.00 C ATOM 2123 OD1 ASP A 133 7.447 5.408 -9.325 1.00 0.00 O ATOM 2124 OD2 ASP A 133 5.978 6.921 -8.883 1.00 0.00 O ATOM 0 H ASP A 133 6.841 4.805 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 133 5.397 4.514 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.694 6.762 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.121 5.810 -6.859 1.00 0.00 H new ATOM 2129 N LYS A 134 6.903 2.318 -6.146 1.00 0.00 N ATOM 2130 CA LYS A 134 7.665 1.088 -6.321 1.00 0.00 C ATOM 2131 C LYS A 134 6.994 -0.068 -5.591 1.00 0.00 C ATOM 2132 O LYS A 134 6.585 0.067 -4.438 1.00 0.00 O ATOM 2133 CB LYS A 134 9.085 1.271 -5.786 1.00 0.00 C ATOM 2134 CG LYS A 134 9.977 0.130 -6.283 1.00 0.00 C ATOM 2135 CD LYS A 134 11.018 -0.207 -5.208 1.00 0.00 C ATOM 2136 CE LYS A 134 10.363 -0.975 -4.055 1.00 0.00 C ATOM 2137 NZ LYS A 134 10.923 -2.354 -3.997 1.00 0.00 N ATOM 0 H LYS A 134 6.139 2.254 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 134 7.704 0.858 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.487 2.229 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.074 1.288 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.372 -0.748 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.474 0.419 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.819 -0.804 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.472 0.710 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.541 -0.458 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.283 -1.015 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.196 -3.037 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.741 -2.423 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.223 -2.566 -3.024 1.00 0.00 H new ATOM 2151 N LEU A 135 6.889 -1.203 -6.268 1.00 0.00 N ATOM 2152 CA LEU A 135 6.270 -2.379 -5.674 1.00 0.00 C ATOM 2153 C LEU A 135 7.131 -2.917 -4.535 1.00 0.00 C ATOM 2154 O LEU A 135 8.329 -3.135 -4.699 1.00 0.00 O ATOM 2155 CB LEU A 135 6.092 -3.465 -6.735 1.00 0.00 C ATOM 2156 CG LEU A 135 5.039 -4.477 -6.261 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.636 -3.853 -6.307 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.063 -5.722 -7.157 1.00 0.00 C ATOM 0 H LEU A 135 7.222 -1.334 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 135 5.296 -2.094 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.783 -3.018 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.041 -3.970 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 135 5.275 -4.759 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.902 -4.584 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.605 -2.979 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.404 -3.553 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.312 -6.433 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.845 -5.434 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.049 -6.184 -7.111 1.00 0.00 H new ATOM 2170 N LEU A 136 6.515 -3.128 -3.378 1.00 0.00 N ATOM 2171 CA LEU A 136 7.242 -3.639 -2.224 1.00 0.00 C ATOM 2172 C LEU A 136 7.295 -5.158 -2.254 1.00 0.00 C ATOM 2173 O LEU A 136 6.277 -5.824 -2.082 1.00 0.00 O ATOM 2174 CB LEU A 136 6.559 -3.174 -0.938 1.00 0.00 C ATOM 2175 CG LEU A 136 7.033 -1.758 -0.586 1.00 0.00 C ATOM 2176 CD1 LEU A 136 8.504 -1.777 -0.144 1.00 0.00 C ATOM 2177 CD2 LEU A 136 6.885 -0.855 -1.817 1.00 0.00 C ATOM 0 H LEU A 136 5.523 -2.955 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 136 8.261 -3.254 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.476 -3.185 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.791 -3.859 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 136 6.425 -1.376 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.823 -0.764 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.612 -2.414 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.122 -2.166 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.221 0.153 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.490 -1.250 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.839 -0.825 -2.122 1.00 0.00 H new