USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 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 68 HIS :FLIP no HD1:sc= -0.115 F(o=-2.7,f=-1.5) USER MOD Set 1.2: A 102 MET CE :methyl -173:sc= -1.42 (180deg=-1.55) USER MOD Set 2.1: A 35 GLN : amide:sc= -0.0357 K(o=-0.54,f=-1.4) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.501 X(o=-0.54,f=-0.1) USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 TYR OH : rot 123:sc= 0 USER MOD Set 4.1: A 12 GLN : amide:sc= 1.14 K(o=2.4,f=-2) USER MOD Set 4.2: A 15 SER OG : rot -166:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.165 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 1.03 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0705 USER MOD Single : A 9 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 150:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0.0655 USER MOD Single : A 29 SER OG : rot 122:sc= 0.203 USER MOD Single : A 30 SER OG : rot 76:sc= 0.414 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.005 K(o=-0.005,f=-1.2) USER MOD Single : A 42 SER OG : rot -130:sc= -0.291 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1) USER MOD Single : A 52 SER OG : rot -29:sc= 0.201 USER MOD Single : A 62 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.24) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.405 K(o=-0.4,f=-4.5!) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= -0.0437 (180deg=-0.0716) USER MOD Single : A 81 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 82 SER OG : rot -57:sc= 0.912 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.11) USER MOD Single : A 91 ASN : amide:sc= 2.68 K(o=2.7,f=-8.9!) USER MOD Single : A 95 CYS SG : rot 129:sc= -0.366 USER MOD Single : A 97 GLN : amide:sc= 0.422 X(o=0.42,f=-0.07) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0469) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.068 14.805 -30.412 1.00 0.00 N ATOM 2 CA GLY A 1 -31.867 15.505 -29.929 1.00 0.00 C ATOM 3 C GLY A 1 -31.916 15.542 -28.416 1.00 0.00 C ATOM 4 O GLY A 1 -33.014 15.472 -27.871 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.453 15.306 -31.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.818 13.832 -30.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.783 14.781 -29.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.967 14.992 -30.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.829 16.517 -30.333 1.00 0.00 H new ATOM 8 N SER A 2 -30.761 15.639 -27.763 1.00 0.00 N ATOM 9 CA SER A 2 -30.625 15.591 -26.313 1.00 0.00 C ATOM 10 C SER A 2 -29.554 16.611 -25.911 1.00 0.00 C ATOM 11 O SER A 2 -28.857 17.133 -26.786 1.00 0.00 O ATOM 12 CB SER A 2 -30.234 14.166 -25.885 1.00 0.00 C ATOM 13 OG SER A 2 -31.021 13.187 -26.550 1.00 0.00 O ATOM 0 H SER A 2 -29.869 15.757 -28.244 1.00 0.00 H new ATOM 0 HA SER A 2 -31.563 15.840 -25.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.180 13.996 -26.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.357 14.062 -24.807 1.00 0.00 H new ATOM 0 HG SER A 2 -30.747 12.293 -26.257 1.00 0.00 H new ATOM 19 N SER A 3 -29.405 16.888 -24.619 1.00 0.00 N ATOM 20 CA SER A 3 -28.442 17.845 -24.098 1.00 0.00 C ATOM 21 C SER A 3 -28.063 17.447 -22.666 1.00 0.00 C ATOM 22 O SER A 3 -28.695 16.569 -22.074 1.00 0.00 O ATOM 23 CB SER A 3 -29.051 19.258 -24.183 1.00 0.00 C ATOM 24 OG SER A 3 -30.399 19.283 -23.741 1.00 0.00 O ATOM 0 H SER A 3 -29.964 16.442 -23.892 1.00 0.00 H new ATOM 0 HA SER A 3 -27.525 17.846 -24.687 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.459 19.945 -23.579 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.000 19.613 -25.212 1.00 0.00 H new ATOM 0 HG SER A 3 -30.749 20.196 -23.809 1.00 0.00 H new ATOM 30 N GLY A 4 -27.038 18.101 -22.112 1.00 0.00 N ATOM 31 CA GLY A 4 -26.535 17.840 -20.769 1.00 0.00 C ATOM 32 C GLY A 4 -25.811 16.498 -20.670 1.00 0.00 C ATOM 33 O GLY A 4 -25.753 15.720 -21.628 1.00 0.00 O ATOM 0 H GLY A 4 -26.528 18.839 -22.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.854 18.640 -20.477 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.366 17.855 -20.063 1.00 0.00 H new ATOM 37 N SER A 5 -25.217 16.224 -19.510 1.00 0.00 N ATOM 38 CA SER A 5 -24.626 14.945 -19.136 1.00 0.00 C ATOM 39 C SER A 5 -24.546 14.880 -17.610 1.00 0.00 C ATOM 40 O SER A 5 -24.658 15.908 -16.935 1.00 0.00 O ATOM 41 CB SER A 5 -23.231 14.815 -19.770 1.00 0.00 C ATOM 42 OG SER A 5 -23.375 14.530 -21.154 1.00 0.00 O ATOM 0 H SER A 5 -25.132 16.923 -18.772 1.00 0.00 H new ATOM 0 HA SER A 5 -25.237 14.118 -19.498 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.668 15.738 -19.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.667 14.022 -19.279 1.00 0.00 H new ATOM 0 HG SER A 5 -24.265 14.809 -21.455 1.00 0.00 H new ATOM 48 N SER A 6 -24.348 13.682 -17.071 1.00 0.00 N ATOM 49 CA SER A 6 -23.960 13.469 -15.682 1.00 0.00 C ATOM 50 C SER A 6 -22.454 13.760 -15.522 1.00 0.00 C ATOM 51 O SER A 6 -21.790 14.251 -16.448 1.00 0.00 O ATOM 52 CB SER A 6 -24.360 12.036 -15.279 1.00 0.00 C ATOM 53 OG SER A 6 -24.081 11.107 -16.319 1.00 0.00 O ATOM 0 H SER A 6 -24.455 12.815 -17.598 1.00 0.00 H new ATOM 0 HA SER A 6 -24.477 14.152 -15.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.821 11.747 -14.377 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.423 12.007 -15.039 1.00 0.00 H new ATOM 0 HG SER A 6 -24.344 10.207 -16.033 1.00 0.00 H new ATOM 59 N GLY A 7 -21.912 13.501 -14.335 1.00 0.00 N ATOM 60 CA GLY A 7 -20.494 13.533 -14.045 1.00 0.00 C ATOM 61 C GLY A 7 -20.123 12.235 -13.358 1.00 0.00 C ATOM 62 O GLY A 7 -19.758 11.276 -14.034 1.00 0.00 O ATOM 0 H GLY A 7 -22.476 13.254 -13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.921 13.654 -14.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.256 14.383 -13.406 1.00 0.00 H new ATOM 66 N GLU A 8 -20.253 12.201 -12.030 1.00 0.00 N ATOM 67 CA GLU A 8 -19.912 11.066 -11.176 1.00 0.00 C ATOM 68 C GLU A 8 -18.530 10.488 -11.512 1.00 0.00 C ATOM 69 O GLU A 8 -18.354 9.269 -11.611 1.00 0.00 O ATOM 70 CB GLU A 8 -21.038 10.016 -11.171 1.00 0.00 C ATOM 71 CG GLU A 8 -22.395 10.623 -10.798 1.00 0.00 C ATOM 72 CD GLU A 8 -23.306 9.642 -10.064 1.00 0.00 C ATOM 73 OE1 GLU A 8 -23.175 9.519 -8.822 1.00 0.00 O ATOM 74 OE2 GLU A 8 -24.211 9.062 -10.703 1.00 0.00 O ATOM 0 H GLU A 8 -20.613 12.996 -11.501 1.00 0.00 H new ATOM 0 HA GLU A 8 -19.829 11.427 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -21.107 9.555 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -20.790 9.223 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.234 11.500 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.895 10.966 -11.704 1.00 0.00 H new ATOM 81 N HIS A 9 -17.549 11.373 -11.683 1.00 0.00 N ATOM 82 CA HIS A 9 -16.135 11.059 -11.818 1.00 0.00 C ATOM 83 C HIS A 9 -15.305 12.178 -11.185 1.00 0.00 C ATOM 84 O HIS A 9 -15.845 13.239 -10.853 1.00 0.00 O ATOM 85 CB HIS A 9 -15.775 10.852 -13.295 1.00 0.00 C ATOM 86 CG HIS A 9 -15.987 9.447 -13.791 1.00 0.00 C ATOM 87 ND1 HIS A 9 -16.674 9.077 -14.923 1.00 0.00 N ATOM 88 CD2 HIS A 9 -15.423 8.319 -13.260 1.00 0.00 C ATOM 89 CE1 HIS A 9 -16.507 7.755 -15.082 1.00 0.00 C ATOM 90 NE2 HIS A 9 -15.715 7.249 -14.114 1.00 0.00 N ATOM 0 H HIS A 9 -17.732 12.375 -11.733 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.912 10.129 -11.295 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.372 11.533 -13.902 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -14.730 11.124 -13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.853 8.264 -12.344 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.948 7.174 -15.878 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.395 6.285 -14.023 1.00 0.00 H new ATOM 98 N ALA A 10 -13.994 11.934 -11.041 1.00 0.00 N ATOM 99 CA ALA A 10 -13.067 12.733 -10.240 1.00 0.00 C ATOM 100 C ALA A 10 -13.503 12.788 -8.776 1.00 0.00 C ATOM 101 O ALA A 10 -14.335 11.983 -8.350 1.00 0.00 O ATOM 102 CB ALA A 10 -12.811 14.099 -10.901 1.00 0.00 C ATOM 0 H ALA A 10 -13.538 11.144 -11.498 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.093 12.245 -10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.119 14.676 -10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.380 13.949 -11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.752 14.641 -10.993 1.00 0.00 H new ATOM 108 N LYS A 11 -12.872 13.654 -7.978 1.00 0.00 N ATOM 109 CA LYS A 11 -13.232 13.952 -6.590 1.00 0.00 C ATOM 110 C LYS A 11 -13.058 12.790 -5.598 1.00 0.00 C ATOM 111 O LYS A 11 -13.246 12.995 -4.400 1.00 0.00 O ATOM 112 CB LYS A 11 -14.669 14.515 -6.558 1.00 0.00 C ATOM 113 CG LYS A 11 -14.840 15.613 -5.495 1.00 0.00 C ATOM 114 CD LYS A 11 -14.403 16.968 -6.064 1.00 0.00 C ATOM 115 CE LYS A 11 -14.096 17.968 -4.948 1.00 0.00 C ATOM 116 NZ LYS A 11 -13.607 19.245 -5.505 1.00 0.00 N ATOM 0 H LYS A 11 -12.063 14.188 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.517 14.695 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.921 14.919 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.370 13.705 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.881 15.662 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.247 15.372 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.520 16.834 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.189 17.366 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.994 18.145 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.347 17.550 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.405 19.908 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.738 19.076 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.333 19.652 -6.128 1.00 0.00 H new ATOM 130 N GLN A 12 -12.679 11.589 -6.040 1.00 0.00 N ATOM 131 CA GLN A 12 -12.257 10.516 -5.146 1.00 0.00 C ATOM 132 C GLN A 12 -10.999 10.971 -4.413 1.00 0.00 C ATOM 133 O GLN A 12 -10.200 11.733 -4.967 1.00 0.00 O ATOM 134 CB GLN A 12 -11.966 9.237 -5.952 1.00 0.00 C ATOM 135 CG GLN A 12 -13.252 8.463 -6.251 1.00 0.00 C ATOM 136 CD GLN A 12 -13.018 7.370 -7.289 1.00 0.00 C ATOM 137 OE1 GLN A 12 -12.285 6.415 -7.054 1.00 0.00 O ATOM 138 NE2 GLN A 12 -13.663 7.467 -8.441 1.00 0.00 N ATOM 0 H GLN A 12 -12.657 11.336 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.048 10.294 -4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.471 9.499 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.278 8.602 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.632 8.018 -5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.017 9.151 -6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.269 8.268 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.554 6.741 -9.149 1.00 0.00 H new ATOM 147 N ALA A 13 -10.772 10.434 -3.217 1.00 0.00 N ATOM 148 CA ALA A 13 -9.564 10.625 -2.429 1.00 0.00 C ATOM 149 C ALA A 13 -8.433 9.757 -3.006 1.00 0.00 C ATOM 150 O ALA A 13 -7.926 8.861 -2.327 1.00 0.00 O ATOM 151 CB ALA A 13 -9.875 10.307 -0.959 1.00 0.00 C ATOM 0 H ALA A 13 -11.453 9.831 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.223 11.659 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.976 10.447 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.659 10.974 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.211 9.274 -0.874 1.00 0.00 H new ATOM 157 N SER A 14 -8.056 10.031 -4.261 1.00 0.00 N ATOM 158 CA SER A 14 -6.951 9.478 -5.045 1.00 0.00 C ATOM 159 C SER A 14 -6.776 7.960 -4.901 1.00 0.00 C ATOM 160 O SER A 14 -6.062 7.456 -4.032 1.00 0.00 O ATOM 161 CB SER A 14 -5.691 10.301 -4.784 1.00 0.00 C ATOM 162 OG SER A 14 -5.958 11.688 -4.918 1.00 0.00 O ATOM 0 H SER A 14 -8.574 10.719 -4.807 1.00 0.00 H new ATOM 0 HA SER A 14 -7.194 9.574 -6.103 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.317 10.093 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.908 10.008 -5.483 1.00 0.00 H new ATOM 0 HG SER A 14 -5.139 12.197 -4.745 1.00 0.00 H new ATOM 168 N SER A 15 -7.466 7.221 -5.769 1.00 0.00 N ATOM 169 CA SER A 15 -7.649 5.774 -5.718 1.00 0.00 C ATOM 170 C SER A 15 -6.853 5.046 -6.818 1.00 0.00 C ATOM 171 O SER A 15 -7.137 3.884 -7.133 1.00 0.00 O ATOM 172 CB SER A 15 -9.163 5.537 -5.820 1.00 0.00 C ATOM 173 OG SER A 15 -9.659 6.208 -6.967 1.00 0.00 O ATOM 0 H SER A 15 -7.938 7.641 -6.570 1.00 0.00 H new ATOM 0 HA SER A 15 -7.258 5.359 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.373 4.470 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.663 5.904 -4.924 1.00 0.00 H new ATOM 0 HG SER A 15 -10.637 6.258 -6.920 1.00 0.00 H new ATOM 179 N TYR A 16 -5.889 5.714 -7.462 1.00 0.00 N ATOM 180 CA TYR A 16 -5.152 5.215 -8.624 1.00 0.00 C ATOM 181 C TYR A 16 -3.857 4.519 -8.193 1.00 0.00 C ATOM 182 O TYR A 16 -3.705 3.315 -8.421 1.00 0.00 O ATOM 183 CB TYR A 16 -4.926 6.343 -9.652 1.00 0.00 C ATOM 184 CG TYR A 16 -4.449 7.680 -9.107 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.387 8.624 -8.650 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.079 7.990 -9.056 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.959 9.842 -8.096 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.641 9.193 -8.475 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.580 10.123 -7.972 1.00 0.00 C ATOM 190 OH TYR A 16 -3.188 11.271 -7.357 1.00 0.00 O ATOM 0 H TYR A 16 -5.592 6.647 -7.178 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.752 4.456 -9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.197 5.995 -10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.861 6.508 -10.187 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.443 8.411 -8.726 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.357 7.299 -9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.687 10.567 -7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.584 9.407 -8.413 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.595 11.055 -6.608 1.00 0.00 H new ATOM 200 N ILE A 17 -2.981 5.247 -7.496 1.00 0.00 N ATOM 201 CA ILE A 17 -1.598 4.910 -7.162 1.00 0.00 C ATOM 202 C ILE A 17 -0.788 4.561 -8.428 1.00 0.00 C ATOM 203 O ILE A 17 -0.907 3.467 -8.990 1.00 0.00 O ATOM 204 CB ILE A 17 -1.518 3.850 -6.043 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.371 4.192 -4.802 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.050 3.619 -5.638 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.024 5.517 -4.117 1.00 0.00 C ATOM 0 H ILE A 17 -3.243 6.159 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.120 5.795 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.940 2.934 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.420 4.218 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.265 3.387 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.004 2.869 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.515 3.270 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.379 4.554 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.678 5.665 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.987 5.493 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.160 6.337 -4.822 1.00 0.00 H new ATOM 219 N PRO A 18 0.028 5.508 -8.920 1.00 0.00 N ATOM 220 CA PRO A 18 0.743 5.382 -10.179 1.00 0.00 C ATOM 221 C PRO A 18 1.985 4.515 -9.982 1.00 0.00 C ATOM 222 O PRO A 18 3.013 5.003 -9.514 1.00 0.00 O ATOM 223 CB PRO A 18 1.085 6.820 -10.561 1.00 0.00 C ATOM 224 CG PRO A 18 1.330 7.483 -9.204 1.00 0.00 C ATOM 225 CD PRO A 18 0.366 6.770 -8.275 1.00 0.00 C ATOM 0 HA PRO A 18 0.167 4.895 -10.966 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.966 6.870 -11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.270 7.299 -11.104 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.363 7.360 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.132 8.554 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.822 6.598 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.527 7.371 -8.107 1.00 0.00 H new ATOM 233 N LEU A 19 1.880 3.223 -10.295 1.00 0.00 N ATOM 234 CA LEU A 19 2.928 2.241 -10.032 1.00 0.00 C ATOM 235 C LEU A 19 4.271 2.713 -10.582 1.00 0.00 C ATOM 236 O LEU A 19 5.252 2.760 -9.848 1.00 0.00 O ATOM 237 CB LEU A 19 2.550 0.876 -10.631 1.00 0.00 C ATOM 238 CG LEU A 19 1.560 0.057 -9.789 1.00 0.00 C ATOM 239 CD1 LEU A 19 1.134 -1.188 -10.569 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.192 -0.377 -8.469 1.00 0.00 C ATOM 0 H LEU A 19 1.054 2.826 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 19 3.025 2.132 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.120 1.035 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.459 0.291 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 19 0.695 0.684 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.432 -1.769 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.656 -0.887 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.011 -1.796 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.470 -0.955 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.070 -0.991 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.488 0.504 -7.900 1.00 0.00 H new ATOM 252 N ASP A 20 4.316 3.108 -11.848 1.00 0.00 N ATOM 253 CA ASP A 20 5.554 3.497 -12.514 1.00 0.00 C ATOM 254 C ASP A 20 6.183 4.768 -11.917 1.00 0.00 C ATOM 255 O ASP A 20 7.399 4.940 -11.987 1.00 0.00 O ATOM 256 CB ASP A 20 5.274 3.639 -14.010 1.00 0.00 C ATOM 257 CG ASP A 20 6.512 4.031 -14.795 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.750 5.245 -14.983 1.00 0.00 O ATOM 259 OD2 ASP A 20 7.178 3.105 -15.312 1.00 0.00 O ATOM 0 H ASP A 20 3.491 3.168 -12.445 1.00 0.00 H new ATOM 0 HA ASP A 20 6.299 2.717 -12.354 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.886 2.696 -14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.498 4.389 -14.162 1.00 0.00 H new ATOM 264 N ARG A 21 5.410 5.644 -11.255 1.00 0.00 N ATOM 265 CA ARG A 21 5.976 6.768 -10.505 1.00 0.00 C ATOM 266 C ARG A 21 6.619 6.319 -9.191 1.00 0.00 C ATOM 267 O ARG A 21 7.288 7.135 -8.545 1.00 0.00 O ATOM 268 CB ARG A 21 4.859 7.793 -10.250 1.00 0.00 C ATOM 269 CG ARG A 21 4.877 8.980 -11.222 1.00 0.00 C ATOM 270 CD ARG A 21 5.487 10.193 -10.529 1.00 0.00 C ATOM 271 NE ARG A 21 5.635 11.358 -11.413 1.00 0.00 N ATOM 272 CZ ARG A 21 6.592 12.292 -11.327 1.00 0.00 C ATOM 273 NH1 ARG A 21 7.596 12.186 -10.464 1.00 0.00 N ATOM 274 NH2 ARG A 21 6.539 13.355 -12.111 1.00 0.00 N ATOM 0 H ARG A 21 4.392 5.592 -11.226 1.00 0.00 H new ATOM 0 HA ARG A 21 6.773 7.221 -11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.894 7.291 -10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.948 8.168 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.454 8.727 -12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.864 9.208 -11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.863 10.468 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.465 9.921 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 21 4.948 11.465 -12.159 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.653 11.378 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.310 12.913 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.773 13.460 -12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.264 14.070 -12.051 1.00 0.00 H new ATOM 288 N LEU A 22 6.414 5.079 -8.750 1.00 0.00 N ATOM 289 CA LEU A 22 7.065 4.479 -7.590 1.00 0.00 C ATOM 290 C LEU A 22 8.291 3.708 -8.102 1.00 0.00 C ATOM 291 O LEU A 22 8.777 3.965 -9.207 1.00 0.00 O ATOM 292 CB LEU A 22 6.083 3.593 -6.784 1.00 0.00 C ATOM 293 CG LEU A 22 4.647 4.125 -6.604 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.818 3.211 -5.696 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.594 5.542 -6.034 1.00 0.00 C ATOM 0 H LEU A 22 5.764 4.441 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 22 7.391 5.246 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.025 2.620 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.510 3.428 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 22 4.226 4.142 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.812 3.617 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.764 2.215 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.288 3.150 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.555 5.855 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.075 5.559 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.114 6.224 -6.706 1.00 0.00 H new ATOM 307 N SER A 23 8.836 2.804 -7.295 1.00 0.00 N ATOM 308 CA SER A 23 9.871 1.847 -7.642 1.00 0.00 C ATOM 309 C SER A 23 9.405 0.524 -7.053 1.00 0.00 C ATOM 310 O SER A 23 9.319 0.410 -5.834 1.00 0.00 O ATOM 311 CB SER A 23 11.216 2.322 -7.077 1.00 0.00 C ATOM 312 OG SER A 23 12.239 1.387 -7.362 1.00 0.00 O ATOM 0 H SER A 23 8.546 2.718 -6.321 1.00 0.00 H new ATOM 0 HA SER A 23 10.025 1.740 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.473 3.291 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.134 2.461 -5.999 1.00 0.00 H new ATOM 0 HG SER A 23 13.095 1.856 -7.450 1.00 0.00 H new ATOM 318 N ILE A 24 9.024 -0.443 -7.890 1.00 0.00 N ATOM 319 CA ILE A 24 8.485 -1.715 -7.426 1.00 0.00 C ATOM 320 C ILE A 24 9.586 -2.765 -7.554 1.00 0.00 C ATOM 321 O ILE A 24 10.354 -2.747 -8.522 1.00 0.00 O ATOM 322 CB ILE A 24 7.215 -2.095 -8.219 1.00 0.00 C ATOM 323 CG1 ILE A 24 6.000 -1.188 -7.952 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.754 -3.495 -7.812 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.033 0.169 -8.642 1.00 0.00 C ATOM 0 H ILE A 24 9.082 -0.363 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 24 8.179 -1.646 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 24 7.510 -2.007 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.099 -1.715 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.917 -1.028 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.858 -3.760 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.544 -4.215 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.531 -3.509 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.132 0.728 -8.388 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.910 0.724 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.080 0.027 -9.722 1.00 0.00 H new ATOM 337 N SER A 25 9.609 -3.713 -6.620 1.00 0.00 N ATOM 338 CA SER A 25 10.547 -4.812 -6.567 1.00 0.00 C ATOM 339 C SER A 25 9.790 -6.092 -6.243 1.00 0.00 C ATOM 340 O SER A 25 9.028 -6.123 -5.275 1.00 0.00 O ATOM 341 CB SER A 25 11.594 -4.461 -5.494 1.00 0.00 C ATOM 342 OG SER A 25 12.277 -5.604 -5.009 1.00 0.00 O ATOM 0 H SER A 25 8.941 -3.729 -5.849 1.00 0.00 H new ATOM 0 HA SER A 25 11.055 -4.972 -7.518 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.317 -3.760 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.103 -3.955 -4.663 1.00 0.00 H new ATOM 0 HG SER A 25 12.931 -5.331 -4.332 1.00 0.00 H new ATOM 348 N TYR A 26 10.060 -7.182 -6.971 1.00 0.00 N ATOM 349 CA TYR A 26 9.601 -8.507 -6.556 1.00 0.00 C ATOM 350 C TYR A 26 10.798 -9.365 -6.152 1.00 0.00 C ATOM 351 O TYR A 26 11.530 -9.883 -6.998 1.00 0.00 O ATOM 352 CB TYR A 26 8.707 -9.152 -7.625 1.00 0.00 C ATOM 353 CG TYR A 26 7.887 -8.152 -8.411 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.822 -7.440 -7.820 1.00 0.00 C ATOM 355 CD2 TYR A 26 8.305 -7.831 -9.714 1.00 0.00 C ATOM 356 CE1 TYR A 26 6.157 -6.452 -8.558 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.674 -6.802 -10.424 1.00 0.00 C ATOM 358 CZ TYR A 26 6.573 -6.121 -9.872 1.00 0.00 C ATOM 359 OH TYR A 26 6.013 -5.107 -10.593 1.00 0.00 O ATOM 0 H TYR A 26 10.590 -7.171 -7.843 1.00 0.00 H new ATOM 0 HA TYR A 26 8.966 -8.414 -5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.331 -9.720 -8.315 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.035 -9.863 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.521 -7.655 -6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.116 -8.380 -10.169 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.316 -5.936 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.036 -6.528 -11.404 1.00 0.00 H new ATOM 0 HH TYR A 26 6.448 -5.050 -11.470 1.00 0.00 H new ATOM 369 N CYS A 27 11.000 -9.487 -4.844 1.00 0.00 N ATOM 370 CA CYS A 27 11.930 -10.386 -4.182 1.00 0.00 C ATOM 371 C CYS A 27 11.256 -11.755 -4.025 1.00 0.00 C ATOM 372 O CYS A 27 10.133 -11.986 -4.485 1.00 0.00 O ATOM 373 CB CYS A 27 12.272 -9.780 -2.804 1.00 0.00 C ATOM 374 SG CYS A 27 13.791 -10.444 -2.070 1.00 0.00 S ATOM 0 H CYS A 27 10.480 -8.919 -4.175 1.00 0.00 H new ATOM 0 HA CYS A 27 12.846 -10.513 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.372 -8.699 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.441 -9.960 -2.122 1.00 0.00 H new ATOM 0 HG CYS A 27 14.000 -9.878 -0.919 1.00 0.00 H new ATOM 380 N ARG A 28 11.919 -12.637 -3.282 1.00 0.00 N ATOM 381 CA ARG A 28 11.353 -13.873 -2.762 1.00 0.00 C ATOM 382 C ARG A 28 10.242 -13.624 -1.732 1.00 0.00 C ATOM 383 O ARG A 28 9.079 -13.905 -2.003 1.00 0.00 O ATOM 384 CB ARG A 28 12.480 -14.784 -2.228 1.00 0.00 C ATOM 385 CG ARG A 28 13.464 -14.100 -1.251 1.00 0.00 C ATOM 386 CD ARG A 28 13.611 -14.854 0.077 1.00 0.00 C ATOM 387 NE ARG A 28 14.538 -15.988 -0.051 1.00 0.00 N ATOM 388 CZ ARG A 28 15.869 -15.884 -0.169 1.00 0.00 C ATOM 389 NH1 ARG A 28 16.485 -14.727 0.052 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.568 -16.941 -0.540 1.00 0.00 N ATOM 0 H ARG A 28 12.895 -12.505 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 28 10.862 -14.397 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.028 -15.639 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.044 -15.173 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.442 -14.018 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.121 -13.085 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.972 -14.172 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.635 -15.214 0.403 1.00 0.00 H new ATOM 0 HE ARG A 28 14.137 -16.926 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.944 -13.903 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.499 -14.663 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.094 -17.824 -0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.582 -16.875 -0.634 1.00 0.00 H new ATOM 404 N SER A 29 10.597 -13.087 -0.560 1.00 0.00 N ATOM 405 CA SER A 29 10.038 -13.461 0.740 1.00 0.00 C ATOM 406 C SER A 29 10.247 -14.954 1.015 1.00 0.00 C ATOM 407 O SER A 29 10.129 -15.789 0.119 1.00 0.00 O ATOM 408 CB SER A 29 8.577 -13.042 0.912 1.00 0.00 C ATOM 409 OG SER A 29 8.173 -13.183 2.256 1.00 0.00 O ATOM 0 H SER A 29 11.305 -12.356 -0.490 1.00 0.00 H new ATOM 0 HA SER A 29 10.590 -12.899 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.451 -12.007 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.941 -13.651 0.270 1.00 0.00 H new ATOM 0 HG SER A 29 7.858 -12.319 2.595 1.00 0.00 H new ATOM 415 N SER A 30 10.620 -15.254 2.262 1.00 0.00 N ATOM 416 CA SER A 30 11.053 -16.516 2.865 1.00 0.00 C ATOM 417 C SER A 30 12.285 -16.279 3.741 1.00 0.00 C ATOM 418 O SER A 30 12.985 -15.272 3.589 1.00 0.00 O ATOM 419 CB SER A 30 11.316 -17.664 1.873 1.00 0.00 C ATOM 420 OG SER A 30 10.083 -18.233 1.475 1.00 0.00 O ATOM 0 H SER A 30 10.625 -14.516 2.966 1.00 0.00 H new ATOM 0 HA SER A 30 10.208 -16.853 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.855 -17.291 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.946 -18.423 2.337 1.00 0.00 H new ATOM 0 HG SER A 30 9.638 -17.636 0.838 1.00 0.00 H new ATOM 426 N GLY A 31 12.559 -17.237 4.624 1.00 0.00 N ATOM 427 CA GLY A 31 13.666 -17.270 5.561 1.00 0.00 C ATOM 428 C GLY A 31 14.096 -18.719 5.815 1.00 0.00 C ATOM 429 O GLY A 31 13.626 -19.625 5.117 1.00 0.00 O ATOM 0 H GLY A 31 11.969 -18.065 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.505 -16.697 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.373 -16.799 6.499 1.00 0.00 H new ATOM 433 N PRO A 32 15.008 -18.952 6.772 1.00 0.00 N ATOM 434 CA PRO A 32 15.764 -20.195 6.926 1.00 0.00 C ATOM 435 C PRO A 32 14.972 -21.346 7.590 1.00 0.00 C ATOM 436 O PRO A 32 15.499 -22.037 8.465 1.00 0.00 O ATOM 437 CB PRO A 32 17.000 -19.765 7.734 1.00 0.00 C ATOM 438 CG PRO A 32 16.435 -18.693 8.663 1.00 0.00 C ATOM 439 CD PRO A 32 15.477 -17.956 7.729 1.00 0.00 C ATOM 0 HA PRO A 32 16.020 -20.633 5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.430 -20.598 8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.787 -19.371 7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.920 -19.124 9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.213 -18.037 9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.644 -17.525 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.981 -17.134 7.222 1.00 0.00 H new ATOM 447 N GLY A 33 13.724 -21.605 7.187 1.00 0.00 N ATOM 448 CA GLY A 33 13.023 -22.819 7.601 1.00 0.00 C ATOM 449 C GLY A 33 11.547 -22.889 7.228 1.00 0.00 C ATOM 450 O GLY A 33 10.999 -23.989 7.173 1.00 0.00 O ATOM 0 H GLY A 33 13.183 -20.992 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.531 -23.678 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.110 -22.916 8.683 1.00 0.00 H new ATOM 454 N GLY A 34 10.894 -21.757 6.966 1.00 0.00 N ATOM 455 CA GLY A 34 9.462 -21.673 6.684 1.00 0.00 C ATOM 456 C GLY A 34 8.801 -20.629 7.576 1.00 0.00 C ATOM 457 O GLY A 34 9.462 -20.082 8.461 1.00 0.00 O ATOM 0 H GLY A 34 11.359 -20.849 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.306 -21.415 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.996 -22.645 6.846 1.00 0.00 H new ATOM 461 N GLN A 35 7.529 -20.330 7.289 1.00 0.00 N ATOM 462 CA GLN A 35 6.712 -19.206 7.768 1.00 0.00 C ATOM 463 C GLN A 35 5.651 -18.916 6.710 1.00 0.00 C ATOM 464 O GLN A 35 5.578 -17.800 6.205 1.00 0.00 O ATOM 465 CB GLN A 35 7.538 -17.937 8.110 1.00 0.00 C ATOM 466 CG GLN A 35 7.678 -17.643 9.609 1.00 0.00 C ATOM 467 CD GLN A 35 6.485 -16.874 10.181 1.00 0.00 C ATOM 468 OE1 GLN A 35 5.561 -16.485 9.463 1.00 0.00 O ATOM 469 NE2 GLN A 35 6.515 -16.595 11.471 1.00 0.00 N ATOM 0 H GLN A 35 6.994 -20.924 6.656 1.00 0.00 H new ATOM 0 HA GLN A 35 6.248 -19.493 8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.534 -18.043 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.073 -17.077 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.790 -18.583 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.589 -17.068 9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.289 -16.927 12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.764 -16.048 11.892 1.00 0.00 H new ATOM 478 N ASN A 36 4.796 -19.885 6.375 1.00 0.00 N ATOM 479 CA ASN A 36 3.605 -19.730 5.524 1.00 0.00 C ATOM 480 C ASN A 36 3.971 -19.692 4.047 1.00 0.00 C ATOM 481 O ASN A 36 3.460 -20.493 3.271 1.00 0.00 O ATOM 482 CB ASN A 36 2.785 -18.470 5.851 1.00 0.00 C ATOM 483 CG ASN A 36 2.441 -18.346 7.318 1.00 0.00 C ATOM 484 OD1 ASN A 36 1.446 -18.889 7.781 1.00 0.00 O ATOM 485 ND2 ASN A 36 3.261 -17.624 8.069 1.00 0.00 N ATOM 0 H ASN A 36 4.917 -20.844 6.702 1.00 0.00 H new ATOM 0 HA ASN A 36 2.992 -20.606 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.346 -17.589 5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.864 -18.483 5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.071 -17.508 9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.081 -17.185 7.651 1.00 0.00 H new ATOM 492 N VAL A 37 4.837 -18.754 3.659 1.00 0.00 N ATOM 493 CA VAL A 37 5.390 -18.630 2.321 1.00 0.00 C ATOM 494 C VAL A 37 6.070 -19.959 1.957 1.00 0.00 C ATOM 495 O VAL A 37 5.710 -20.593 0.963 1.00 0.00 O ATOM 496 CB VAL A 37 6.267 -17.349 2.259 1.00 0.00 C ATOM 497 CG1 VAL A 37 7.334 -17.227 3.366 1.00 0.00 C ATOM 498 CG2 VAL A 37 6.909 -17.151 0.882 1.00 0.00 C ATOM 0 H VAL A 37 5.181 -18.036 4.296 1.00 0.00 H new ATOM 0 HA VAL A 37 4.637 -18.479 1.547 1.00 0.00 H new ATOM 0 HB VAL A 37 5.554 -16.545 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.891 -16.300 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.847 -17.222 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.018 -18.073 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.512 -16.243 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.544 -18.006 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.129 -17.063 0.126 1.00 0.00 H new ATOM 508 N ASN A 38 6.983 -20.425 2.821 1.00 0.00 N ATOM 509 CA ASN A 38 7.805 -21.640 2.758 1.00 0.00 C ATOM 510 C ASN A 38 8.761 -21.688 1.562 1.00 0.00 C ATOM 511 O ASN A 38 9.953 -21.963 1.711 1.00 0.00 O ATOM 512 CB ASN A 38 6.953 -22.921 2.819 1.00 0.00 C ATOM 513 CG ASN A 38 7.709 -24.033 3.525 1.00 0.00 C ATOM 514 OD1 ASN A 38 8.442 -24.791 2.892 1.00 0.00 O ATOM 515 ND2 ASN A 38 7.578 -24.129 4.835 1.00 0.00 N ATOM 0 H ASN A 38 7.185 -19.902 3.673 1.00 0.00 H new ATOM 0 HA ASN A 38 8.430 -21.594 3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.019 -22.719 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.689 -23.237 1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.092 -24.845 5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.963 -23.487 5.334 1.00 0.00 H new ATOM 522 N LYS A 39 8.217 -21.493 0.368 1.00 0.00 N ATOM 523 CA LYS A 39 8.809 -21.680 -0.941 1.00 0.00 C ATOM 524 C LYS A 39 8.302 -20.489 -1.759 1.00 0.00 C ATOM 525 O LYS A 39 8.478 -19.354 -1.320 1.00 0.00 O ATOM 526 CB LYS A 39 8.369 -23.062 -1.475 1.00 0.00 C ATOM 527 CG LYS A 39 8.818 -24.259 -0.620 1.00 0.00 C ATOM 528 CD LYS A 39 10.251 -24.731 -0.917 1.00 0.00 C ATOM 529 CE LYS A 39 10.504 -26.030 -0.141 1.00 0.00 C ATOM 530 NZ LYS A 39 11.879 -26.544 -0.282 1.00 0.00 N ATOM 0 H LYS A 39 7.254 -21.167 0.290 1.00 0.00 H new ATOM 0 HA LYS A 39 9.899 -21.694 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.282 -23.076 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.762 -23.187 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.746 -23.989 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.131 -25.089 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.382 -24.897 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.971 -23.967 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.296 -25.859 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.804 -26.791 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.980 -27.422 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.076 -26.738 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.553 -25.835 0.072 1.00 0.00 H new ATOM 544 N VAL A 40 7.540 -20.732 -2.830 1.00 0.00 N ATOM 545 CA VAL A 40 6.707 -19.756 -3.530 1.00 0.00 C ATOM 546 C VAL A 40 7.574 -18.672 -4.189 1.00 0.00 C ATOM 547 O VAL A 40 7.876 -18.834 -5.368 1.00 0.00 O ATOM 548 CB VAL A 40 5.555 -19.277 -2.610 1.00 0.00 C ATOM 549 CG1 VAL A 40 4.639 -18.263 -3.297 1.00 0.00 C ATOM 550 CG2 VAL A 40 4.674 -20.460 -2.166 1.00 0.00 C ATOM 0 H VAL A 40 7.487 -21.660 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 40 6.193 -20.212 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 40 6.040 -18.807 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.850 -17.961 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.220 -17.388 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.194 -18.716 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.874 -20.096 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.243 -20.942 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.281 -21.181 -1.618 1.00 0.00 H new ATOM 560 N ASN A 41 8.020 -17.641 -3.464 1.00 0.00 N ATOM 561 CA ASN A 41 8.937 -16.575 -3.884 1.00 0.00 C ATOM 562 C ASN A 41 8.272 -15.568 -4.837 1.00 0.00 C ATOM 563 O ASN A 41 8.551 -15.549 -6.042 1.00 0.00 O ATOM 564 CB ASN A 41 10.261 -17.115 -4.463 1.00 0.00 C ATOM 565 CG ASN A 41 10.931 -18.165 -3.594 1.00 0.00 C ATOM 566 OD1 ASN A 41 11.209 -17.948 -2.420 1.00 0.00 O ATOM 567 ND2 ASN A 41 11.204 -19.326 -4.159 1.00 0.00 N ATOM 0 H ASN A 41 7.727 -17.520 -2.494 1.00 0.00 H new ATOM 0 HA ASN A 41 9.193 -16.033 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.068 -17.542 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.950 -16.282 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.655 -20.063 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.964 -19.486 -5.137 1.00 0.00 H new ATOM 574 N SER A 42 7.398 -14.707 -4.308 1.00 0.00 N ATOM 575 CA SER A 42 6.703 -13.681 -5.082 1.00 0.00 C ATOM 576 C SER A 42 6.387 -12.438 -4.236 1.00 0.00 C ATOM 577 O SER A 42 5.257 -11.946 -4.241 1.00 0.00 O ATOM 578 CB SER A 42 5.470 -14.312 -5.755 1.00 0.00 C ATOM 579 OG SER A 42 4.874 -15.292 -4.930 1.00 0.00 O ATOM 0 H SER A 42 7.152 -14.705 -3.318 1.00 0.00 H new ATOM 0 HA SER A 42 7.355 -13.309 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.741 -13.534 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.763 -14.762 -6.703 1.00 0.00 H new ATOM 0 HG SER A 42 4.735 -16.113 -5.446 1.00 0.00 H new ATOM 585 N LYS A 43 7.386 -11.865 -3.560 1.00 0.00 N ATOM 586 CA LYS A 43 7.216 -10.695 -2.703 1.00 0.00 C ATOM 587 C LYS A 43 6.908 -9.492 -3.571 1.00 0.00 C ATOM 588 O LYS A 43 7.204 -9.485 -4.761 1.00 0.00 O ATOM 589 CB LYS A 43 8.482 -10.453 -1.864 1.00 0.00 C ATOM 590 CG LYS A 43 8.425 -9.196 -0.972 1.00 0.00 C ATOM 591 CD LYS A 43 9.423 -9.202 0.191 1.00 0.00 C ATOM 592 CE LYS A 43 10.525 -8.172 -0.037 1.00 0.00 C ATOM 593 NZ LYS A 43 11.524 -8.171 1.050 1.00 0.00 N ATOM 0 H LYS A 43 8.346 -12.207 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 43 6.389 -10.864 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.657 -11.324 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.337 -10.369 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.611 -8.318 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.417 -9.096 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.903 -8.985 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.862 -10.194 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.022 -8.379 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.081 -7.180 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.252 -7.456 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.056 -7.948 1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.968 -9.109 1.114 1.00 0.00 H new ATOM 607 N ALA A 44 6.289 -8.484 -2.982 1.00 0.00 N ATOM 608 CA ALA A 44 6.101 -7.193 -3.591 1.00 0.00 C ATOM 609 C ALA A 44 6.621 -6.195 -2.571 1.00 0.00 C ATOM 610 O ALA A 44 6.104 -6.119 -1.457 1.00 0.00 O ATOM 611 CB ALA A 44 4.632 -7.017 -3.940 1.00 0.00 C ATOM 0 H ALA A 44 5.896 -8.549 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 44 6.637 -7.059 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.482 -6.041 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.327 -7.798 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.032 -7.085 -3.033 1.00 0.00 H new ATOM 617 N GLU A 45 7.699 -5.509 -2.925 1.00 0.00 N ATOM 618 CA GLU A 45 8.210 -4.335 -2.241 1.00 0.00 C ATOM 619 C GLU A 45 7.872 -3.181 -3.169 1.00 0.00 C ATOM 620 O GLU A 45 7.879 -3.328 -4.396 1.00 0.00 O ATOM 621 CB GLU A 45 9.729 -4.493 -2.015 1.00 0.00 C ATOM 622 CG GLU A 45 10.525 -3.269 -1.517 1.00 0.00 C ATOM 623 CD GLU A 45 11.872 -3.683 -0.893 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.602 -4.509 -1.491 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.222 -3.217 0.218 1.00 0.00 O ATOM 0 H GLU A 45 8.264 -5.769 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 45 7.778 -4.175 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.876 -5.300 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.173 -4.818 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.703 -2.587 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.934 -2.725 -0.780 1.00 0.00 H new ATOM 632 N VAL A 46 7.606 -2.025 -2.586 1.00 0.00 N ATOM 633 CA VAL A 46 7.566 -0.794 -3.331 1.00 0.00 C ATOM 634 C VAL A 46 8.236 0.269 -2.479 1.00 0.00 C ATOM 635 O VAL A 46 8.127 0.301 -1.247 1.00 0.00 O ATOM 636 CB VAL A 46 6.136 -0.477 -3.804 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.159 -0.187 -2.668 1.00 0.00 C ATOM 638 CG2 VAL A 46 6.101 0.707 -4.769 1.00 0.00 C ATOM 0 H VAL A 46 7.414 -1.921 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 46 8.123 -0.856 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 46 5.816 -1.389 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.173 0.027 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.096 -1.055 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.508 0.674 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.072 0.895 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.499 1.592 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.706 0.479 -5.646 1.00 0.00 H new ATOM 648 N ARG A 47 8.959 1.136 -3.162 1.00 0.00 N ATOM 649 CA ARG A 47 9.777 2.197 -2.634 1.00 0.00 C ATOM 650 C ARG A 47 9.404 3.433 -3.424 1.00 0.00 C ATOM 651 O ARG A 47 9.192 3.345 -4.628 1.00 0.00 O ATOM 652 CB ARG A 47 11.236 1.765 -2.795 1.00 0.00 C ATOM 653 CG ARG A 47 12.260 2.887 -2.687 1.00 0.00 C ATOM 654 CD ARG A 47 13.657 2.330 -2.369 1.00 0.00 C ATOM 655 NE ARG A 47 14.203 1.544 -3.488 1.00 0.00 N ATOM 656 CZ ARG A 47 14.593 2.030 -4.670 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.694 3.339 -4.885 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.913 1.188 -5.640 1.00 0.00 N ATOM 0 H ARG A 47 8.988 1.109 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 47 9.629 2.413 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.462 1.015 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.350 1.282 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.292 3.446 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.957 3.586 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.333 3.154 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.604 1.705 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 47 14.292 0.538 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.471 3.997 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.994 3.684 -5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.860 0.182 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.212 1.545 -6.547 1.00 0.00 H new ATOM 672 N PHE A 48 9.267 4.570 -2.764 1.00 0.00 N ATOM 673 CA PHE A 48 9.153 5.844 -3.452 1.00 0.00 C ATOM 674 C PHE A 48 9.765 6.918 -2.573 1.00 0.00 C ATOM 675 O PHE A 48 9.511 6.929 -1.366 1.00 0.00 O ATOM 676 CB PHE A 48 7.687 6.142 -3.823 1.00 0.00 C ATOM 677 CG PHE A 48 6.651 6.111 -2.706 1.00 0.00 C ATOM 678 CD1 PHE A 48 6.370 7.282 -1.979 1.00 0.00 C ATOM 679 CD2 PHE A 48 5.909 4.941 -2.441 1.00 0.00 C ATOM 680 CE1 PHE A 48 5.355 7.291 -1.006 1.00 0.00 C ATOM 681 CE2 PHE A 48 4.886 4.949 -1.474 1.00 0.00 C ATOM 682 CZ PHE A 48 4.599 6.130 -0.770 1.00 0.00 C ATOM 0 H PHE A 48 9.232 4.637 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 48 9.698 5.816 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.652 7.129 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.381 5.423 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.938 8.181 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.127 4.033 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.156 8.189 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.323 4.049 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.797 6.146 -0.047 1.00 0.00 H new ATOM 692 N HIS A 49 10.531 7.848 -3.149 1.00 0.00 N ATOM 693 CA HIS A 49 10.908 9.084 -2.476 1.00 0.00 C ATOM 694 C HIS A 49 9.634 9.868 -2.217 1.00 0.00 C ATOM 695 O HIS A 49 9.064 10.468 -3.127 1.00 0.00 O ATOM 696 CB HIS A 49 11.980 9.835 -3.282 1.00 0.00 C ATOM 697 CG HIS A 49 12.642 10.940 -2.503 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.863 12.236 -2.922 1.00 0.00 N ATOM 699 CD2 HIS A 49 13.181 10.807 -1.253 1.00 0.00 C ATOM 700 CE1 HIS A 49 13.486 12.879 -1.920 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.698 12.047 -0.885 1.00 0.00 N ATOM 0 H HIS A 49 10.905 7.761 -4.094 1.00 0.00 H new ATOM 0 HA HIS A 49 11.381 8.899 -1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.740 9.127 -3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.524 10.254 -4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 49 13.202 9.905 -0.659 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.776 13.919 -1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 49 14.150 12.279 -0.001 1.00 0.00 H new ATOM 709 N LEU A 50 9.168 9.807 -0.971 1.00 0.00 N ATOM 710 CA LEU A 50 7.948 10.412 -0.470 1.00 0.00 C ATOM 711 C LEU A 50 7.974 11.906 -0.771 1.00 0.00 C ATOM 712 O LEU A 50 6.973 12.446 -1.231 1.00 0.00 O ATOM 713 CB LEU A 50 7.851 10.045 1.024 1.00 0.00 C ATOM 714 CG LEU A 50 6.908 10.852 1.923 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.447 12.260 2.172 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.468 10.850 1.415 1.00 0.00 C ATOM 0 H LEU A 50 9.669 9.299 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 50 7.044 10.042 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.553 8.999 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.853 10.117 1.447 1.00 0.00 H new ATOM 0 HG LEU A 50 6.876 10.349 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.755 12.806 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.420 12.196 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.551 12.783 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.844 11.436 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.434 11.287 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.097 9.826 1.376 1.00 0.00 H new ATOM 728 N ALA A 51 9.119 12.569 -0.575 1.00 0.00 N ATOM 729 CA ALA A 51 9.243 13.998 -0.833 1.00 0.00 C ATOM 730 C ALA A 51 8.966 14.335 -2.304 1.00 0.00 C ATOM 731 O ALA A 51 8.511 15.435 -2.603 1.00 0.00 O ATOM 732 CB ALA A 51 10.635 14.463 -0.416 1.00 0.00 C ATOM 0 H ALA A 51 9.975 12.130 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 51 8.494 14.527 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.734 15.532 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.780 14.269 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.387 13.921 -0.990 1.00 0.00 H new ATOM 738 N SER A 52 9.220 13.396 -3.217 1.00 0.00 N ATOM 739 CA SER A 52 9.014 13.506 -4.654 1.00 0.00 C ATOM 740 C SER A 52 7.654 12.929 -5.084 1.00 0.00 C ATOM 741 O SER A 52 7.360 12.965 -6.275 1.00 0.00 O ATOM 742 CB SER A 52 10.209 12.797 -5.316 1.00 0.00 C ATOM 743 OG SER A 52 10.265 12.833 -6.730 1.00 0.00 O ATOM 0 H SER A 52 9.597 12.486 -2.953 1.00 0.00 H new ATOM 0 HA SER A 52 8.975 14.548 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.126 13.241 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.202 11.753 -5.002 1.00 0.00 H new ATOM 0 HG SER A 52 9.356 12.887 -7.092 1.00 0.00 H new ATOM 749 N ALA A 53 6.826 12.388 -4.177 1.00 0.00 N ATOM 750 CA ALA A 53 5.565 11.726 -4.507 1.00 0.00 C ATOM 751 C ALA A 53 4.494 12.771 -4.846 1.00 0.00 C ATOM 752 O ALA A 53 3.690 13.151 -3.995 1.00 0.00 O ATOM 753 CB ALA A 53 5.134 10.816 -3.347 1.00 0.00 C ATOM 0 H ALA A 53 7.023 12.401 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 53 5.700 11.098 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.194 10.326 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.901 10.062 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.001 11.414 -2.445 1.00 0.00 H new ATOM 759 N ASP A 54 4.480 13.284 -6.074 1.00 0.00 N ATOM 760 CA ASP A 54 3.636 14.380 -6.570 1.00 0.00 C ATOM 761 C ASP A 54 2.270 13.876 -7.023 1.00 0.00 C ATOM 762 O ASP A 54 1.696 14.277 -8.034 1.00 0.00 O ATOM 763 CB ASP A 54 4.397 15.178 -7.637 1.00 0.00 C ATOM 764 CG ASP A 54 4.615 16.590 -7.113 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.517 16.745 -6.254 1.00 0.00 O ATOM 766 OD2 ASP A 54 3.908 17.529 -7.534 1.00 0.00 O ATOM 0 H ASP A 54 5.098 12.924 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 54 3.419 15.072 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.353 14.703 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.831 15.202 -8.569 1.00 0.00 H new ATOM 771 N TRP A 55 1.768 12.926 -6.254 1.00 0.00 N ATOM 772 CA TRP A 55 0.455 12.317 -6.314 1.00 0.00 C ATOM 773 C TRP A 55 -0.055 12.067 -4.881 1.00 0.00 C ATOM 774 O TRP A 55 -1.167 11.558 -4.714 1.00 0.00 O ATOM 775 CB TRP A 55 0.566 11.033 -7.146 1.00 0.00 C ATOM 776 CG TRP A 55 1.617 10.087 -6.659 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.925 10.095 -7.002 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.489 9.089 -5.612 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.608 9.176 -6.232 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.780 8.581 -5.302 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.407 8.626 -4.845 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.987 7.702 -4.229 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.598 7.734 -3.783 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.887 7.272 -3.474 1.00 0.00 C ATOM 0 H TRP A 55 2.325 12.525 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.274 12.968 -6.796 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.398 10.524 -7.142 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.781 11.299 -8.181 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.367 10.723 -7.761 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.600 8.963 -6.337 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.591 8.965 -5.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.983 7.360 -3.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.248 7.401 -3.200 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.031 6.585 -2.654 1.00 0.00 H new ATOM 795 N ILE A 56 0.746 12.426 -3.866 1.00 0.00 N ATOM 796 CA ILE A 56 0.332 12.622 -2.481 1.00 0.00 C ATOM 797 C ILE A 56 0.241 14.138 -2.266 1.00 0.00 C ATOM 798 O ILE A 56 0.977 14.922 -2.870 1.00 0.00 O ATOM 799 CB ILE A 56 1.332 11.939 -1.500 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.538 10.435 -1.811 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.865 12.097 -0.039 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.432 9.661 -0.816 1.00 0.00 C ATOM 0 H ILE A 56 1.743 12.593 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.634 12.158 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 56 2.287 12.445 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.561 9.953 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.972 10.345 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.580 11.612 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.799 13.156 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.115 11.635 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.508 8.620 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.426 10.108 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.993 9.709 0.181 1.00 0.00 H new ATOM 814 N GLU A 57 -0.691 14.523 -1.404 1.00 0.00 N ATOM 815 CA GLU A 57 -1.016 15.877 -0.984 1.00 0.00 C ATOM 816 C GLU A 57 0.126 16.426 -0.139 1.00 0.00 C ATOM 817 O GLU A 57 0.661 15.705 0.700 1.00 0.00 O ATOM 818 CB GLU A 57 -2.327 15.842 -0.166 1.00 0.00 C ATOM 819 CG GLU A 57 -3.367 14.884 -0.730 1.00 0.00 C ATOM 820 CD GLU A 57 -4.740 14.907 -0.051 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.165 15.941 0.523 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.418 13.855 -0.117 1.00 0.00 O ATOM 0 H GLU A 57 -1.288 13.837 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.152 16.524 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.098 15.555 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.751 16.846 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.503 15.109 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.970 13.871 -0.668 1.00 0.00 H new ATOM 829 N GLU A 58 0.425 17.715 -0.255 1.00 0.00 N ATOM 830 CA GLU A 58 1.382 18.417 0.590 1.00 0.00 C ATOM 831 C GLU A 58 1.154 18.231 2.104 1.00 0.00 C ATOM 832 O GLU A 58 2.150 18.087 2.825 1.00 0.00 O ATOM 833 CB GLU A 58 1.428 19.899 0.181 1.00 0.00 C ATOM 834 CG GLU A 58 2.843 20.488 0.262 1.00 0.00 C ATOM 835 CD GLU A 58 3.326 21.015 -1.087 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.838 20.197 -1.886 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.235 22.238 -1.344 1.00 0.00 O ATOM 0 H GLU A 58 -0.004 18.316 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 58 2.358 17.962 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.052 20.003 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.762 20.472 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.857 21.297 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.533 19.724 0.620 1.00 0.00 H new ATOM 844 N PRO A 59 -0.086 18.180 2.633 1.00 0.00 N ATOM 845 CA PRO A 59 -0.296 17.939 4.058 1.00 0.00 C ATOM 846 C PRO A 59 -0.260 16.465 4.432 1.00 0.00 C ATOM 847 O PRO A 59 -0.064 16.149 5.606 1.00 0.00 O ATOM 848 CB PRO A 59 -1.648 18.578 4.367 1.00 0.00 C ATOM 849 CG PRO A 59 -2.427 18.386 3.069 1.00 0.00 C ATOM 850 CD PRO A 59 -1.369 18.416 1.969 1.00 0.00 C ATOM 0 HA PRO A 59 0.510 18.372 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.141 18.091 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.546 19.632 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.970 17.441 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.164 19.177 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.566 17.651 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.370 19.376 1.453 1.00 0.00 H new ATOM 858 N VAL A 60 -0.410 15.571 3.461 1.00 0.00 N ATOM 859 CA VAL A 60 -0.381 14.142 3.687 1.00 0.00 C ATOM 860 C VAL A 60 1.076 13.675 3.603 1.00 0.00 C ATOM 861 O VAL A 60 1.519 12.939 4.482 1.00 0.00 O ATOM 862 CB VAL A 60 -1.376 13.467 2.721 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.363 11.951 2.869 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.816 13.938 3.002 1.00 0.00 C ATOM 0 H VAL A 60 -0.557 15.828 2.485 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.720 13.851 4.681 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.064 13.747 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.077 11.511 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.364 11.573 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.639 11.683 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.501 13.449 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.090 13.680 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.878 15.018 2.871 1.00 0.00 H new ATOM 874 N ARG A 61 1.876 14.175 2.647 1.00 0.00 N ATOM 875 CA ARG A 61 3.294 13.837 2.496 1.00 0.00 C ATOM 876 C ARG A 61 4.029 13.996 3.817 1.00 0.00 C ATOM 877 O ARG A 61 4.674 13.062 4.291 1.00 0.00 O ATOM 878 CB ARG A 61 3.992 14.694 1.417 1.00 0.00 C ATOM 879 CG ARG A 61 3.693 14.233 -0.014 1.00 0.00 C ATOM 880 CD ARG A 61 4.704 14.739 -1.052 1.00 0.00 C ATOM 881 NE ARG A 61 4.469 16.130 -1.507 1.00 0.00 N ATOM 882 CZ ARG A 61 4.696 16.578 -2.754 1.00 0.00 C ATOM 883 NH1 ARG A 61 4.938 15.723 -3.736 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.698 17.873 -3.047 1.00 0.00 N ATOM 0 H ARG A 61 1.545 14.838 1.946 1.00 0.00 H new ATOM 0 HA ARG A 61 3.332 12.796 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.679 15.732 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.069 14.666 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.676 13.143 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.697 14.574 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.706 14.673 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.680 14.077 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 61 4.109 16.796 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.953 14.721 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.110 16.067 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.524 18.562 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.874 18.179 -4.004 1.00 0.00 H new ATOM 898 N GLN A 62 3.883 15.168 4.435 1.00 0.00 N ATOM 899 CA GLN A 62 4.598 15.484 5.658 1.00 0.00 C ATOM 900 C GLN A 62 4.133 14.584 6.810 1.00 0.00 C ATOM 901 O GLN A 62 4.913 14.386 7.740 1.00 0.00 O ATOM 902 CB GLN A 62 4.458 16.981 5.983 1.00 0.00 C ATOM 903 CG GLN A 62 3.156 17.244 6.743 1.00 0.00 C ATOM 904 CD GLN A 62 2.706 18.699 6.738 1.00 0.00 C ATOM 905 OE1 GLN A 62 2.536 19.299 7.797 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.535 19.294 5.570 1.00 0.00 N ATOM 0 H GLN A 62 3.272 15.913 4.102 1.00 0.00 H new ATOM 0 HA GLN A 62 5.659 15.282 5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.308 17.311 6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.472 17.562 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.366 16.631 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.281 16.919 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.683 18.773 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.255 20.274 5.533 1.00 0.00 H new ATOM 915 N LYS A 63 2.897 14.050 6.777 1.00 0.00 N ATOM 916 CA LYS A 63 2.492 13.016 7.712 1.00 0.00 C ATOM 917 C LYS A 63 3.318 11.759 7.485 1.00 0.00 C ATOM 918 O LYS A 63 4.072 11.396 8.367 1.00 0.00 O ATOM 919 CB LYS A 63 0.994 12.699 7.612 1.00 0.00 C ATOM 920 CG LYS A 63 0.301 12.779 8.977 1.00 0.00 C ATOM 921 CD LYS A 63 -0.237 14.188 9.225 1.00 0.00 C ATOM 922 CE LYS A 63 -0.894 14.309 10.603 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.735 15.523 10.702 1.00 0.00 N ATOM 0 H LYS A 63 2.174 14.325 6.112 1.00 0.00 H new ATOM 0 HA LYS A 63 2.673 13.392 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.520 13.398 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.861 11.701 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.516 12.059 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.004 12.509 9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.578 14.908 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.963 14.442 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.504 13.426 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.123 14.336 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.164 15.572 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.147 16.366 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.486 15.485 9.983 1.00 0.00 H new ATOM 937 N ILE A 64 3.241 11.110 6.321 1.00 0.00 N ATOM 938 CA ILE A 64 3.931 9.876 5.955 1.00 0.00 C ATOM 939 C ILE A 64 5.434 9.992 6.254 1.00 0.00 C ATOM 940 O ILE A 64 6.030 9.011 6.705 1.00 0.00 O ATOM 941 CB ILE A 64 3.560 9.519 4.491 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.126 8.946 4.328 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.503 8.463 3.919 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.042 9.997 4.200 1.00 0.00 C ATOM 0 H ILE A 64 2.656 11.457 5.561 1.00 0.00 H new ATOM 0 HA ILE A 64 3.605 9.032 6.564 1.00 0.00 H new ATOM 0 HB ILE A 64 3.636 10.468 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.101 8.307 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.901 8.313 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.215 8.236 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.525 8.841 3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.443 7.557 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.073 9.509 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.034 10.622 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.237 10.617 3.325 1.00 0.00 H new ATOM 956 N ALA A 65 6.023 11.182 6.090 1.00 0.00 N ATOM 957 CA ALA A 65 7.409 11.498 6.387 1.00 0.00 C ATOM 958 C ALA A 65 7.783 11.119 7.827 1.00 0.00 C ATOM 959 O ALA A 65 8.914 10.752 8.127 1.00 0.00 O ATOM 960 CB ALA A 65 7.594 13.007 6.172 1.00 0.00 C ATOM 0 H ALA A 65 5.512 11.987 5.727 1.00 0.00 H new ATOM 0 HA ALA A 65 8.063 10.924 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.627 13.281 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.359 13.259 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.927 13.554 6.839 1.00 0.00 H new ATOM 966 N LEU A 66 6.833 11.326 8.735 1.00 0.00 N ATOM 967 CA LEU A 66 6.917 11.123 10.166 1.00 0.00 C ATOM 968 C LEU A 66 6.234 9.826 10.591 1.00 0.00 C ATOM 969 O LEU A 66 6.843 8.968 11.228 1.00 0.00 O ATOM 970 CB LEU A 66 6.243 12.318 10.842 1.00 0.00 C ATOM 971 CG LEU A 66 6.808 13.683 10.441 1.00 0.00 C ATOM 972 CD1 LEU A 66 5.908 14.755 11.031 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.246 13.866 10.906 1.00 0.00 C ATOM 0 H LEU A 66 5.912 11.668 8.459 1.00 0.00 H new ATOM 0 HA LEU A 66 7.963 11.044 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.179 12.298 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.334 12.206 11.922 1.00 0.00 H new ATOM 0 HG LEU A 66 6.827 13.758 9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.289 15.740 10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.897 14.637 10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.891 14.659 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.605 14.848 10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.290 13.786 11.992 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.874 13.095 10.460 1.00 0.00 H new ATOM 985 N THR A 67 4.949 9.701 10.289 1.00 0.00 N ATOM 986 CA THR A 67 4.043 8.696 10.813 1.00 0.00 C ATOM 987 C THR A 67 4.406 7.311 10.277 1.00 0.00 C ATOM 988 O THR A 67 4.171 6.314 10.953 1.00 0.00 O ATOM 989 CB THR A 67 2.628 9.157 10.429 1.00 0.00 C ATOM 990 OG1 THR A 67 2.357 10.356 11.139 1.00 0.00 O ATOM 991 CG2 THR A 67 1.544 8.129 10.723 1.00 0.00 C ATOM 0 H THR A 67 4.488 10.334 9.636 1.00 0.00 H new ATOM 0 HA THR A 67 4.109 8.598 11.897 1.00 0.00 H new ATOM 0 HB THR A 67 2.608 9.306 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.459 10.675 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.574 8.527 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.748 7.215 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.533 7.907 11.790 1.00 0.00 H new ATOM 999 N HIS A 68 5.076 7.228 9.128 1.00 0.00 N ATOM 1000 CA HIS A 68 5.605 5.973 8.613 1.00 0.00 C ATOM 1001 C HIS A 68 7.117 6.089 8.473 1.00 0.00 C ATOM 1002 O HIS A 68 7.715 5.399 7.653 1.00 0.00 O ATOM 1003 CB HIS A 68 4.871 5.569 7.330 1.00 0.00 C ATOM 1004 CG HIS A 68 3.383 5.432 7.535 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.454 6.389 7.245 1.00 0.00 N flip ATOM 1006 CD2 HIS A 68 2.714 4.384 8.137 1.00 0.00 C flip ATOM 1007 CE1 HIS A 68 1.210 5.920 7.641 1.00 0.00 C flip ATOM 1008 NE2 HIS A 68 1.408 4.712 8.191 1.00 0.00 N flip ATOM 0 H HIS A 68 5.266 8.032 8.530 1.00 0.00 H new ATOM 0 HA HIS A 68 5.423 5.156 9.311 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.061 6.313 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.273 4.623 6.968 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.157 3.468 8.499 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.264 6.429 7.528 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.675 4.126 8.592 1.00 0.00 H new ATOM 1016 N LYS A 69 7.764 6.918 9.304 1.00 0.00 N ATOM 1017 CA LYS A 69 9.224 7.016 9.342 1.00 0.00 C ATOM 1018 C LYS A 69 9.879 5.657 9.585 1.00 0.00 C ATOM 1019 O LYS A 69 10.973 5.406 9.091 1.00 0.00 O ATOM 1020 CB LYS A 69 9.648 8.040 10.398 1.00 0.00 C ATOM 1021 CG LYS A 69 11.170 8.069 10.586 1.00 0.00 C ATOM 1022 CD LYS A 69 11.602 9.238 11.468 1.00 0.00 C ATOM 1023 CE LYS A 69 12.038 10.432 10.611 1.00 0.00 C ATOM 1024 NZ LYS A 69 12.682 11.470 11.434 1.00 0.00 N ATOM 0 H LYS A 69 7.290 7.535 9.964 1.00 0.00 H new ATOM 0 HA LYS A 69 9.570 7.357 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.299 9.030 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.169 7.802 11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.500 7.132 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.657 8.146 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.779 9.533 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.424 8.928 12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.729 10.096 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.171 10.853 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.967 12.266 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.012 11.806 12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.522 11.072 11.900 1.00 0.00 H new ATOM 1038 N ASN A 70 9.215 4.750 10.297 1.00 0.00 N ATOM 1039 CA ASN A 70 9.735 3.398 10.487 1.00 0.00 C ATOM 1040 C ASN A 70 9.841 2.596 9.173 1.00 0.00 C ATOM 1041 O ASN A 70 10.598 1.629 9.086 1.00 0.00 O ATOM 1042 CB ASN A 70 8.882 2.669 11.522 1.00 0.00 C ATOM 1043 CG ASN A 70 9.640 1.494 12.122 1.00 0.00 C ATOM 1044 OD1 ASN A 70 9.198 0.356 12.012 1.00 0.00 O ATOM 1045 ND2 ASN A 70 10.731 1.760 12.822 1.00 0.00 N ATOM 0 H ASN A 70 8.319 4.925 10.751 1.00 0.00 H new ATOM 0 HA ASN A 70 10.758 3.485 10.854 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.592 3.361 12.312 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.963 2.314 11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.232 1.006 13.291 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.071 2.719 12.892 1.00 0.00 H new ATOM 1052 N LYS A 71 9.097 2.987 8.131 1.00 0.00 N ATOM 1053 CA LYS A 71 9.234 2.482 6.767 1.00 0.00 C ATOM 1054 C LYS A 71 10.246 3.274 5.946 1.00 0.00 C ATOM 1055 O LYS A 71 10.560 2.877 4.829 1.00 0.00 O ATOM 1056 CB LYS A 71 7.888 2.568 6.040 1.00 0.00 C ATOM 1057 CG LYS A 71 6.677 1.956 6.740 1.00 0.00 C ATOM 1058 CD LYS A 71 6.675 0.423 6.787 1.00 0.00 C ATOM 1059 CE LYS A 71 5.205 -0.002 6.879 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.997 -1.279 7.590 1.00 0.00 N ATOM 0 H LYS A 71 8.360 3.687 8.221 1.00 0.00 H new ATOM 0 HA LYS A 71 9.579 1.452 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.673 3.620 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.997 2.085 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.632 2.338 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.772 2.292 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.145 0.006 5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.239 0.059 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.641 0.781 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.797 -0.087 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.981 -1.502 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.507 -2.039 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.356 -1.197 8.563 1.00 0.00 H new ATOM 1074 N ILE A 72 10.697 4.431 6.420 1.00 0.00 N ATOM 1075 CA ILE A 72 11.577 5.281 5.646 1.00 0.00 C ATOM 1076 C ILE A 72 13.003 4.811 5.864 1.00 0.00 C ATOM 1077 O ILE A 72 13.439 4.614 6.997 1.00 0.00 O ATOM 1078 CB ILE A 72 11.344 6.757 5.997 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.013 7.194 5.352 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.511 7.672 5.584 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.594 8.634 5.622 1.00 0.00 C ATOM 0 H ILE A 72 10.462 4.798 7.342 1.00 0.00 H new ATOM 0 HA ILE A 72 11.365 5.205 4.580 1.00 0.00 H new ATOM 0 HB ILE A 72 11.288 6.856 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.088 7.052 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.223 6.532 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.282 8.701 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.421 7.353 6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.658 7.610 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.646 8.837 5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.479 8.784 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.357 9.313 5.241 1.00 0.00 H new ATOM 1093 N ASN A 73 13.735 4.698 4.763 1.00 0.00 N ATOM 1094 CA ASN A 73 15.080 4.141 4.715 1.00 0.00 C ATOM 1095 C ASN A 73 16.184 5.024 5.294 1.00 0.00 C ATOM 1096 O ASN A 73 17.281 4.512 5.501 1.00 0.00 O ATOM 1097 CB ASN A 73 15.440 3.826 3.266 1.00 0.00 C ATOM 1098 CG ASN A 73 15.640 5.022 2.349 1.00 0.00 C ATOM 1099 OD1 ASN A 73 15.265 6.161 2.638 1.00 0.00 O ATOM 1100 ND2 ASN A 73 16.183 4.751 1.180 1.00 0.00 N ATOM 0 H ASN A 73 13.398 5.001 3.850 1.00 0.00 H new ATOM 0 HA ASN A 73 15.039 3.254 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.355 3.234 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.653 3.200 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.302 5.492 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.485 3.800 0.966 1.00 0.00 H new ATOM 1107 N LYS A 74 15.906 6.312 5.516 1.00 0.00 N ATOM 1108 CA LYS A 74 16.771 7.441 5.885 1.00 0.00 C ATOM 1109 C LYS A 74 16.428 8.617 4.995 1.00 0.00 C ATOM 1110 O LYS A 74 16.028 9.664 5.502 1.00 0.00 O ATOM 1111 CB LYS A 74 18.296 7.193 5.800 1.00 0.00 C ATOM 1112 CG LYS A 74 18.917 6.714 7.118 1.00 0.00 C ATOM 1113 CD LYS A 74 19.097 7.869 8.121 1.00 0.00 C ATOM 1114 CE LYS A 74 20.482 8.541 8.095 1.00 0.00 C ATOM 1115 NZ LYS A 74 20.788 9.233 6.827 1.00 0.00 N ATOM 0 H LYS A 74 14.941 6.630 5.430 1.00 0.00 H new ATOM 0 HA LYS A 74 16.570 7.621 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.492 6.451 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.788 8.115 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.283 5.945 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.884 6.253 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.338 8.626 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.912 7.490 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.542 9.259 8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.245 7.785 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.697 9.731 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.847 8.537 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.036 9.920 6.616 1.00 0.00 H new ATOM 1129 N ALA A 75 16.578 8.454 3.680 1.00 0.00 N ATOM 1130 CA ALA A 75 16.539 9.594 2.767 1.00 0.00 C ATOM 1131 C ALA A 75 15.156 10.247 2.719 1.00 0.00 C ATOM 1132 O ALA A 75 15.032 11.413 2.345 1.00 0.00 O ATOM 1133 CB ALA A 75 16.935 9.152 1.358 1.00 0.00 C ATOM 0 H ALA A 75 16.726 7.552 3.228 1.00 0.00 H new ATOM 0 HA ALA A 75 17.248 10.331 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.903 10.009 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.945 8.742 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.240 8.389 1.007 1.00 0.00 H new ATOM 1139 N GLY A 76 14.106 9.517 3.098 1.00 0.00 N ATOM 1140 CA GLY A 76 12.739 9.892 2.793 1.00 0.00 C ATOM 1141 C GLY A 76 12.192 9.052 1.647 1.00 0.00 C ATOM 1142 O GLY A 76 11.129 9.384 1.126 1.00 0.00 O ATOM 0 H GLY A 76 14.188 8.648 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.115 9.760 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.697 10.948 2.528 1.00 0.00 H new ATOM 1146 N GLU A 77 12.879 7.984 1.224 1.00 0.00 N ATOM 1147 CA GLU A 77 12.196 6.928 0.499 1.00 0.00 C ATOM 1148 C GLU A 77 11.390 6.150 1.517 1.00 0.00 C ATOM 1149 O GLU A 77 11.946 5.716 2.525 1.00 0.00 O ATOM 1150 CB GLU A 77 13.152 6.021 -0.263 1.00 0.00 C ATOM 1151 CG GLU A 77 13.876 6.771 -1.386 1.00 0.00 C ATOM 1152 CD GLU A 77 13.890 5.960 -2.676 1.00 0.00 C ATOM 1153 OE1 GLU A 77 12.834 5.871 -3.336 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.945 5.386 -3.019 1.00 0.00 O ATOM 0 H GLU A 77 13.878 7.837 1.370 1.00 0.00 H new ATOM 0 HA GLU A 77 11.552 7.363 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.885 5.604 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.598 5.182 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.385 7.728 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.899 6.988 -1.080 1.00 0.00 H new ATOM 1161 N LEU A 78 10.086 6.041 1.277 1.00 0.00 N ATOM 1162 CA LEU A 78 9.179 5.188 2.018 1.00 0.00 C ATOM 1163 C LEU A 78 9.310 3.822 1.373 1.00 0.00 C ATOM 1164 O LEU A 78 9.085 3.730 0.165 1.00 0.00 O ATOM 1165 CB LEU A 78 7.743 5.717 1.860 1.00 0.00 C ATOM 1166 CG LEU A 78 6.752 4.996 2.788 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.861 5.571 4.194 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.314 5.194 2.319 1.00 0.00 C ATOM 0 H LEU A 78 9.622 6.565 0.535 1.00 0.00 H new ATOM 0 HA LEU A 78 9.406 5.156 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.726 6.786 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.424 5.594 0.825 1.00 0.00 H new ATOM 0 HG LEU A 78 6.998 3.934 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.158 5.060 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.875 5.430 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.627 6.635 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.636 4.673 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.076 6.258 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.201 4.793 1.312 1.00 0.00 H new ATOM 1180 N VAL A 79 9.694 2.798 2.130 1.00 0.00 N ATOM 1181 CA VAL A 79 9.901 1.454 1.624 1.00 0.00 C ATOM 1182 C VAL A 79 9.060 0.498 2.463 1.00 0.00 C ATOM 1183 O VAL A 79 9.311 0.333 3.661 1.00 0.00 O ATOM 1184 CB VAL A 79 11.405 1.100 1.614 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.591 -0.222 0.857 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.288 2.212 1.009 1.00 0.00 C ATOM 0 H VAL A 79 9.872 2.886 3.130 1.00 0.00 H new ATOM 0 HA VAL A 79 9.576 1.372 0.587 1.00 0.00 H new ATOM 0 HB VAL A 79 11.735 0.996 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.648 -0.486 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.028 -1.010 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.229 -0.110 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.332 1.900 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.987 2.395 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.170 3.127 1.590 1.00 0.00 H new ATOM 1196 N LEU A 80 8.050 -0.136 1.870 1.00 0.00 N ATOM 1197 CA LEU A 80 7.281 -1.191 2.518 1.00 0.00 C ATOM 1198 C LEU A 80 7.138 -2.369 1.562 1.00 0.00 C ATOM 1199 O LEU A 80 7.293 -2.226 0.347 1.00 0.00 O ATOM 1200 CB LEU A 80 5.937 -0.661 3.060 1.00 0.00 C ATOM 1201 CG LEU A 80 4.755 -0.550 2.075 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.585 0.147 2.771 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.058 0.313 0.858 1.00 0.00 C ATOM 0 H LEU A 80 7.742 0.071 0.920 1.00 0.00 H new ATOM 0 HA LEU A 80 7.815 -1.550 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.629 -1.309 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.114 0.328 3.483 1.00 0.00 H new ATOM 0 HG LEU A 80 4.540 -1.571 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.746 0.228 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.282 -0.434 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.892 1.144 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.183 0.347 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.309 1.323 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.900 -0.112 0.311 1.00 0.00 H new ATOM 1215 N THR A 81 6.845 -3.538 2.112 1.00 0.00 N ATOM 1216 CA THR A 81 6.609 -4.759 1.357 1.00 0.00 C ATOM 1217 C THR A 81 5.365 -5.368 1.989 1.00 0.00 C ATOM 1218 O THR A 81 5.184 -5.241 3.203 1.00 0.00 O ATOM 1219 CB THR A 81 7.865 -5.674 1.317 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.981 -6.614 2.371 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.170 -4.872 1.357 1.00 0.00 C ATOM 0 H THR A 81 6.763 -3.667 3.121 1.00 0.00 H new ATOM 0 HA THR A 81 6.430 -4.585 0.296 1.00 0.00 H new ATOM 0 HB THR A 81 7.717 -6.204 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.258 -7.272 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.018 -5.556 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.212 -4.203 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.209 -4.286 2.275 1.00 0.00 H new ATOM 1229 N SER A 82 4.470 -5.926 1.181 1.00 0.00 N ATOM 1230 CA SER A 82 3.251 -6.529 1.671 1.00 0.00 C ATOM 1231 C SER A 82 2.987 -7.755 0.819 1.00 0.00 C ATOM 1232 O SER A 82 2.539 -7.653 -0.324 1.00 0.00 O ATOM 1233 CB SER A 82 2.129 -5.491 1.643 1.00 0.00 C ATOM 1234 OG SER A 82 1.241 -5.710 2.714 1.00 0.00 O ATOM 0 H SER A 82 4.576 -5.969 0.167 1.00 0.00 H new ATOM 0 HA SER A 82 3.324 -6.854 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.550 -4.488 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.591 -5.550 0.697 1.00 0.00 H new ATOM 0 HG SER A 82 0.892 -6.625 2.668 1.00 0.00 H new ATOM 1240 N GLU A 83 3.295 -8.931 1.348 1.00 0.00 N ATOM 1241 CA GLU A 83 3.329 -10.135 0.552 1.00 0.00 C ATOM 1242 C GLU A 83 2.814 -11.292 1.383 1.00 0.00 C ATOM 1243 O GLU A 83 3.222 -11.466 2.533 1.00 0.00 O ATOM 1244 CB GLU A 83 4.742 -10.350 -0.003 1.00 0.00 C ATOM 1245 CG GLU A 83 5.856 -10.805 0.960 1.00 0.00 C ATOM 1246 CD GLU A 83 6.432 -9.806 1.980 1.00 0.00 C ATOM 1247 OE1 GLU A 83 6.110 -8.595 1.992 1.00 0.00 O ATOM 1248 OE2 GLU A 83 7.310 -10.244 2.755 1.00 0.00 O ATOM 0 H GLU A 83 3.525 -9.070 2.332 1.00 0.00 H new ATOM 0 HA GLU A 83 2.673 -10.053 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.674 -11.089 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.063 -9.414 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.475 -11.660 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.686 -11.166 0.352 1.00 0.00 H new ATOM 1255 N SER A 84 1.881 -12.061 0.831 1.00 0.00 N ATOM 1256 CA SER A 84 1.225 -13.127 1.566 1.00 0.00 C ATOM 1257 C SER A 84 0.809 -14.312 0.693 1.00 0.00 C ATOM 1258 O SER A 84 0.467 -15.358 1.254 1.00 0.00 O ATOM 1259 CB SER A 84 0.017 -12.528 2.290 1.00 0.00 C ATOM 1260 OG SER A 84 -0.893 -11.996 1.350 1.00 0.00 O ATOM 0 H SER A 84 1.563 -11.961 -0.133 1.00 0.00 H new ATOM 0 HA SER A 84 1.941 -13.540 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.474 -13.294 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.344 -11.746 2.975 1.00 0.00 H new ATOM 0 HG SER A 84 -1.664 -11.616 1.820 1.00 0.00 H new ATOM 1266 N SER A 85 0.800 -14.161 -0.633 1.00 0.00 N ATOM 1267 CA SER A 85 0.255 -15.115 -1.589 1.00 0.00 C ATOM 1268 C SER A 85 1.253 -15.331 -2.735 1.00 0.00 C ATOM 1269 O SER A 85 2.368 -14.801 -2.687 1.00 0.00 O ATOM 1270 CB SER A 85 -1.117 -14.588 -2.033 1.00 0.00 C ATOM 1271 OG SER A 85 -2.140 -15.470 -1.615 1.00 0.00 O ATOM 0 H SER A 85 1.190 -13.334 -1.085 1.00 0.00 H new ATOM 0 HA SER A 85 0.104 -16.102 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.287 -13.597 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.140 -14.482 -3.118 1.00 0.00 H new ATOM 0 HG SER A 85 -3.010 -15.122 -1.903 1.00 0.00 H new ATOM 1277 N ARG A 86 0.899 -16.139 -3.744 1.00 0.00 N ATOM 1278 CA ARG A 86 1.804 -16.456 -4.856 1.00 0.00 C ATOM 1279 C ARG A 86 1.770 -15.419 -5.983 1.00 0.00 C ATOM 1280 O ARG A 86 2.660 -15.385 -6.833 1.00 0.00 O ATOM 1281 CB ARG A 86 1.503 -17.858 -5.397 1.00 0.00 C ATOM 1282 CG ARG A 86 0.352 -17.896 -6.418 1.00 0.00 C ATOM 1283 CD ARG A 86 0.044 -19.326 -6.832 1.00 0.00 C ATOM 1284 NE ARG A 86 1.151 -19.936 -7.586 1.00 0.00 N ATOM 1285 CZ ARG A 86 1.248 -21.236 -7.886 1.00 0.00 C ATOM 1286 NH1 ARG A 86 0.248 -22.075 -7.641 1.00 0.00 N ATOM 1287 NH2 ARG A 86 2.358 -21.713 -8.430 1.00 0.00 N ATOM 0 H ARG A 86 -0.015 -16.587 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 86 2.817 -16.429 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.403 -18.258 -5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.258 -18.514 -4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.538 -17.438 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.619 -17.308 -7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.161 -19.924 -5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.860 -19.340 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 86 1.900 -19.321 -7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.614 -21.731 -7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.342 -23.063 -7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.141 -21.088 -8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.429 -22.705 -8.658 1.00 0.00 H new ATOM 1301 N TYR A 87 0.682 -14.654 -6.078 1.00 0.00 N ATOM 1302 CA TYR A 87 0.459 -13.771 -7.212 1.00 0.00 C ATOM 1303 C TYR A 87 1.422 -12.587 -7.159 1.00 0.00 C ATOM 1304 O TYR A 87 1.964 -12.275 -6.101 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.976 -13.261 -7.156 1.00 0.00 C ATOM 1306 CG TYR A 87 -2.037 -14.312 -6.892 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -2.110 -15.476 -7.682 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.956 -14.122 -5.844 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -3.118 -16.425 -7.443 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.989 -15.044 -5.625 1.00 0.00 C ATOM 1311 CZ TYR A 87 -4.078 -16.202 -6.431 1.00 0.00 C ATOM 1312 OH TYR A 87 -5.066 -17.106 -6.213 1.00 0.00 O ATOM 0 H TYR A 87 -0.059 -14.632 -5.377 1.00 0.00 H new ATOM 0 HA TYR A 87 0.631 -14.319 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.042 -12.501 -6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.205 -12.770 -8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.391 -15.639 -8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.865 -13.258 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.159 -17.328 -8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.714 -14.870 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.637 -16.796 -5.480 1.00 0.00 H new ATOM 1322 N GLN A 88 1.585 -11.886 -8.283 1.00 0.00 N ATOM 1323 CA GLN A 88 2.404 -10.686 -8.336 1.00 0.00 C ATOM 1324 C GLN A 88 1.507 -9.486 -8.033 1.00 0.00 C ATOM 1325 O GLN A 88 1.370 -9.136 -6.864 1.00 0.00 O ATOM 1326 CB GLN A 88 3.223 -10.604 -9.638 1.00 0.00 C ATOM 1327 CG GLN A 88 4.312 -11.695 -9.705 1.00 0.00 C ATOM 1328 CD GLN A 88 3.791 -13.045 -10.202 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.719 -13.281 -11.399 1.00 0.00 O ATOM 1330 NE2 GLN A 88 3.452 -13.986 -9.330 1.00 0.00 N ATOM 0 H GLN A 88 1.154 -12.136 -9.173 1.00 0.00 H new ATOM 0 HA GLN A 88 3.180 -10.702 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.555 -10.705 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.689 -9.621 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.113 -11.358 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.747 -11.825 -8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.509 -13.798 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.135 -14.897 -9.661 1.00 0.00 H new ATOM 1339 N PHE A 89 0.811 -8.925 -9.030 1.00 0.00 N ATOM 1340 CA PHE A 89 -0.013 -7.718 -8.896 1.00 0.00 C ATOM 1341 C PHE A 89 -0.972 -7.760 -7.687 1.00 0.00 C ATOM 1342 O PHE A 89 -1.267 -6.708 -7.128 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.735 -7.445 -10.229 1.00 0.00 C ATOM 1344 CG PHE A 89 -2.031 -6.659 -10.132 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.025 -5.300 -9.759 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.254 -7.293 -10.421 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.243 -4.600 -9.649 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.461 -6.578 -10.356 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.461 -5.233 -9.952 1.00 0.00 C ATOM 0 H PHE A 89 0.806 -9.308 -9.975 1.00 0.00 H new ATOM 0 HA PHE A 89 0.647 -6.878 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.053 -6.904 -10.885 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.947 -8.401 -10.708 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.091 -4.797 -9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.264 -8.338 -10.695 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.241 -3.568 -9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.390 -7.063 -10.617 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.391 -4.689 -9.875 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.436 -8.933 -7.231 1.00 0.00 N ATOM 1360 CA ARG A 90 -2.236 -9.070 -6.003 1.00 0.00 C ATOM 1361 C ARG A 90 -1.430 -8.730 -4.742 1.00 0.00 C ATOM 1362 O ARG A 90 -1.909 -7.960 -3.917 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.796 -10.498 -5.900 1.00 0.00 C ATOM 1364 CG ARG A 90 -4.191 -10.605 -5.270 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.252 -10.232 -3.778 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.990 -8.973 -3.586 1.00 0.00 N ATOM 1367 CZ ARG A 90 -5.165 -8.264 -2.467 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -4.490 -8.550 -1.360 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.037 -7.263 -2.510 1.00 0.00 N ATOM 0 H ARG A 90 -1.266 -9.819 -7.706 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.056 -8.355 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.831 -10.931 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.103 -11.102 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.874 -9.958 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.552 -11.626 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.736 -11.032 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.242 -10.131 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.428 -8.589 -4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.824 -9.323 -1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.637 -7.997 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.541 -7.062 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.203 -6.695 -1.679 1.00 0.00 H new ATOM 1383 N ASN A 91 -0.227 -9.289 -4.571 1.00 0.00 N ATOM 1384 CA ASN A 91 0.638 -8.958 -3.437 1.00 0.00 C ATOM 1385 C ASN A 91 0.951 -7.469 -3.512 1.00 0.00 C ATOM 1386 O ASN A 91 0.760 -6.743 -2.541 1.00 0.00 O ATOM 1387 CB ASN A 91 1.944 -9.780 -3.446 1.00 0.00 C ATOM 1388 CG ASN A 91 1.853 -11.144 -2.767 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.026 -11.402 -1.894 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.731 -12.060 -3.108 1.00 0.00 N ATOM 0 H ASN A 91 0.171 -9.978 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 91 0.122 -9.203 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.257 -9.926 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.725 -9.198 -2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.721 -12.971 -2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.423 -11.860 -3.830 1.00 0.00 H new ATOM 1397 N LEU A 92 1.367 -7.000 -4.692 1.00 0.00 N ATOM 1398 CA LEU A 92 1.647 -5.591 -4.936 1.00 0.00 C ATOM 1399 C LEU A 92 0.430 -4.712 -4.604 1.00 0.00 C ATOM 1400 O LEU A 92 0.598 -3.585 -4.144 1.00 0.00 O ATOM 1401 CB LEU A 92 2.092 -5.424 -6.391 1.00 0.00 C ATOM 1402 CG LEU A 92 2.398 -3.977 -6.812 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.558 -3.379 -6.009 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.722 -3.996 -8.307 1.00 0.00 C ATOM 0 H LEU A 92 1.518 -7.595 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 92 2.450 -5.259 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.982 -6.031 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.312 -5.819 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 92 1.533 -3.345 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.740 -2.356 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.305 -3.378 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.456 -3.976 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.945 -2.984 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.586 -4.636 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.866 -4.382 -8.860 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.797 -5.193 -4.830 1.00 0.00 N ATOM 1417 CA ALA A 93 -2.019 -4.475 -4.494 1.00 0.00 C ATOM 1418 C ALA A 93 -2.143 -4.260 -2.988 1.00 0.00 C ATOM 1419 O ALA A 93 -2.610 -3.199 -2.601 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.263 -5.178 -5.052 1.00 0.00 C ATOM 0 H ALA A 93 -0.965 -6.104 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.955 -3.496 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.154 -4.612 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.190 -5.240 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.331 -6.183 -4.635 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.698 -5.184 -2.130 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.690 -4.938 -0.691 1.00 0.00 C ATOM 1428 C GLU A 94 -0.711 -3.814 -0.339 1.00 0.00 C ATOM 1429 O GLU A 94 -1.005 -2.970 0.504 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.343 -6.215 0.080 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.828 -6.081 1.523 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.514 -7.326 2.350 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.335 -7.766 2.374 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.447 -7.880 2.967 1.00 0.00 O ATOM 0 H GLU A 94 -1.343 -6.099 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.692 -4.625 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.810 -7.078 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.266 -6.384 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.359 -5.212 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.903 -5.903 1.529 1.00 0.00 H new ATOM 1441 N CYS A 95 0.437 -3.747 -1.019 1.00 0.00 N ATOM 1442 CA CYS A 95 1.340 -2.614 -0.879 1.00 0.00 C ATOM 1443 C CYS A 95 0.590 -1.311 -1.179 1.00 0.00 C ATOM 1444 O CYS A 95 0.678 -0.367 -0.391 1.00 0.00 O ATOM 1445 CB CYS A 95 2.569 -2.793 -1.784 1.00 0.00 C ATOM 1446 SG CYS A 95 4.003 -3.311 -0.806 1.00 0.00 S ATOM 0 H CYS A 95 0.758 -4.465 -1.669 1.00 0.00 H new ATOM 0 HA CYS A 95 1.701 -2.562 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.357 -3.536 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.790 -1.857 -2.298 1.00 0.00 H new ATOM 0 HG CYS A 95 4.540 -4.364 -1.347 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.147 -1.256 -2.296 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.871 -0.046 -2.688 1.00 0.00 C ATOM 1454 C LEU A 96 -2.044 0.222 -1.752 1.00 0.00 C ATOM 1455 O LEU A 96 -2.355 1.384 -1.505 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.381 -0.085 -4.135 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.368 -0.511 -5.211 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.913 -0.077 -6.574 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.072 0.005 -5.042 1.00 0.00 C ATOM 0 H LEU A 96 -0.256 -2.037 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.145 0.763 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.231 -0.766 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.754 0.907 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.273 -1.592 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.211 -0.368 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.875 -0.559 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.042 1.005 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.689 -0.363 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.071 1.095 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.477 -0.351 -4.095 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.672 -0.827 -1.222 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.714 -0.727 -0.223 1.00 0.00 C ATOM 1473 C GLN A 97 -3.152 0.011 0.978 1.00 0.00 C ATOM 1474 O GLN A 97 -3.809 0.951 1.423 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.242 -2.121 0.173 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.359 -2.075 1.226 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.600 -1.391 0.674 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.358 -1.995 -0.085 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -6.819 -0.124 0.977 1.00 0.00 N ATOM 0 H GLN A 97 -2.459 -1.789 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.562 -0.175 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.614 -2.627 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.415 -2.719 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.608 -3.088 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.009 -1.542 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.184 0.367 1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.623 0.364 0.581 1.00 0.00 H new ATOM 1488 N LYS A 98 -1.964 -0.363 1.496 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.497 0.369 2.669 1.00 0.00 C ATOM 1490 C LYS A 98 -1.139 1.762 2.243 1.00 0.00 C ATOM 1491 O LYS A 98 -1.575 2.650 2.932 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.436 -0.244 3.593 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.487 -1.776 3.707 1.00 0.00 C ATOM 1494 CD LYS A 98 0.830 -2.466 3.337 1.00 0.00 C ATOM 1495 CE LYS A 98 1.317 -3.339 4.492 1.00 0.00 C ATOM 1496 NZ LYS A 98 1.702 -2.571 5.699 1.00 0.00 N ATOM 0 H LYS A 98 -1.359 -1.107 1.149 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.349 0.330 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.551 0.047 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.551 0.184 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.754 -2.047 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.279 -2.153 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.690 -3.077 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.585 -1.718 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.531 -4.046 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.173 -3.925 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.237 -3.185 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.293 -1.762 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.846 -2.226 6.179 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.467 2.006 1.117 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.229 3.368 0.650 1.00 0.00 C ATOM 1512 C ILE A 99 -1.523 4.204 0.671 1.00 0.00 C ATOM 1513 O ILE A 99 -1.484 5.340 1.132 1.00 0.00 O ATOM 1514 CB ILE A 99 0.455 3.291 -0.725 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.884 2.740 -0.532 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.503 4.648 -1.440 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.441 2.105 -1.804 1.00 0.00 C ATOM 0 H ILE A 99 -0.080 1.279 0.515 1.00 0.00 H new ATOM 0 HA ILE A 99 0.443 3.899 1.325 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.133 2.628 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.542 3.549 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.880 2.000 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.996 4.533 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.512 5.015 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.059 5.361 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.448 1.733 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.800 1.277 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.473 2.850 -2.599 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.667 3.676 0.224 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.938 4.401 0.247 1.00 0.00 C ATOM 1531 C ARG A 100 -4.397 4.623 1.681 1.00 0.00 C ATOM 1532 O ARG A 100 -4.862 5.715 1.994 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.002 3.635 -0.555 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.700 3.706 -2.059 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.402 2.609 -2.860 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.868 2.741 -2.825 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.725 2.170 -3.680 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.284 1.455 -4.708 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -9.031 2.336 -3.511 1.00 0.00 N ATOM 0 H ARG A 100 -2.736 2.735 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.794 5.376 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.029 2.594 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.988 4.056 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.007 4.680 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.624 3.628 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.061 2.644 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.118 1.634 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.265 3.318 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.282 1.336 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.948 1.025 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.377 2.897 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.688 1.903 -4.160 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.248 3.628 2.552 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.613 3.731 3.959 1.00 0.00 C ATOM 1555 C ASP A 101 -3.711 4.717 4.695 1.00 0.00 C ATOM 1556 O ASP A 101 -4.222 5.607 5.351 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.611 2.361 4.646 1.00 0.00 C ATOM 1558 CG ASP A 101 -5.983 1.715 4.523 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -6.331 1.194 3.435 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.747 1.762 5.511 1.00 0.00 O ATOM 0 H ASP A 101 -3.866 2.718 2.296 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.632 4.116 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.856 1.719 4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.345 2.473 5.697 1.00 0.00 H new ATOM 1565 N MET A 102 -2.393 4.642 4.519 1.00 0.00 N ATOM 1566 CA MET A 102 -1.358 5.547 5.009 1.00 0.00 C ATOM 1567 C MET A 102 -1.668 6.995 4.624 1.00 0.00 C ATOM 1568 O MET A 102 -1.299 7.929 5.332 1.00 0.00 O ATOM 1569 CB MET A 102 -0.011 5.136 4.395 1.00 0.00 C ATOM 1570 CG MET A 102 0.467 3.731 4.799 1.00 0.00 C ATOM 1571 SD MET A 102 1.665 3.023 3.642 1.00 0.00 S ATOM 1572 CE MET A 102 3.130 3.222 4.642 1.00 0.00 C ATOM 0 H MET A 102 -1.987 3.876 3.981 1.00 0.00 H new ATOM 0 HA MET A 102 -1.319 5.482 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.091 5.181 3.309 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.746 5.863 4.689 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.915 3.779 5.792 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.395 3.068 4.870 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.010 2.957 4.056 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.210 4.259 4.968 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.066 2.572 5.515 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.328 7.195 3.482 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.724 8.492 2.960 1.00 0.00 C ATOM 1584 C ILE A 103 -4.074 8.872 3.577 1.00 0.00 C ATOM 1585 O ILE A 103 -4.234 10.008 4.011 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.686 8.410 1.415 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.209 8.427 0.951 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.463 9.505 0.674 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -1.023 8.022 -0.514 1.00 0.00 C ATOM 0 H ILE A 103 -2.609 6.424 2.876 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.047 9.301 3.234 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.192 7.479 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.802 9.428 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.631 7.752 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.370 9.353 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.515 9.460 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.057 10.481 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.036 8.057 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.399 7.010 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.573 8.711 -1.155 1.00 0.00 H new ATOM 1601 N ALA A 104 -5.028 7.943 3.680 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.318 8.138 4.332 1.00 0.00 C ATOM 1603 C ALA A 104 -6.138 8.543 5.795 1.00 0.00 C ATOM 1604 O ALA A 104 -6.752 9.510 6.244 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.142 6.846 4.241 1.00 0.00 C ATOM 0 H ALA A 104 -4.916 7.004 3.298 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.846 8.943 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.105 6.994 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.301 6.589 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.605 6.037 4.736 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.282 7.833 6.518 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.014 7.977 7.941 1.00 0.00 C ATOM 1613 C GLU A 105 -4.188 9.232 8.242 1.00 0.00 C ATOM 1614 O GLU A 105 -4.042 9.613 9.403 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.378 6.676 8.464 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.862 6.551 8.288 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.308 5.259 8.914 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.292 5.169 10.168 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.881 4.316 8.207 1.00 0.00 O ATOM 0 H GLU A 105 -4.720 7.093 6.097 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.950 8.129 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.609 6.583 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.853 5.835 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.619 6.571 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.373 7.412 8.744 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.664 9.868 7.193 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.951 11.131 7.212 1.00 0.00 C ATOM 1628 C ALA A 106 -3.781 12.258 6.577 1.00 0.00 C ATOM 1629 O ALA A 106 -3.366 13.418 6.623 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.631 10.919 6.466 1.00 0.00 C ATOM 0 H ALA A 106 -3.735 9.484 6.251 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.761 11.441 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.064 11.850 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.050 10.144 6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.838 10.612 5.441 1.00 0.00 H new ATOM 1636 N SER A 107 -4.936 11.940 5.987 1.00 0.00 N ATOM 1637 CA SER A 107 -5.880 12.881 5.390 1.00 0.00 C ATOM 1638 C SER A 107 -7.032 13.135 6.365 1.00 0.00 C ATOM 1639 O SER A 107 -7.579 14.242 6.390 1.00 0.00 O ATOM 1640 CB SER A 107 -6.366 12.304 4.050 1.00 0.00 C ATOM 1641 OG SER A 107 -7.510 12.947 3.518 1.00 0.00 O ATOM 0 H SER A 107 -5.251 10.973 5.910 1.00 0.00 H new ATOM 0 HA SER A 107 -5.404 13.842 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.556 12.371 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.588 11.245 4.183 1.00 0.00 H new ATOM 0 HG SER A 107 -7.756 12.526 2.668 1.00 0.00 H new ATOM 1647 N GLY A 108 -7.396 12.125 7.153 1.00 0.00 N ATOM 1648 CA GLY A 108 -8.272 12.218 8.301 1.00 0.00 C ATOM 1649 C GLY A 108 -7.436 12.391 9.570 1.00 0.00 C ATOM 1650 O GLY A 108 -6.276 12.810 9.499 1.00 0.00 O ATOM 0 H GLY A 108 -7.066 11.173 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.953 13.061 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.886 11.320 8.377 1.00 0.00 H new ATOM 1654 N PRO A 109 -8.027 12.123 10.741 1.00 0.00 N ATOM 1655 CA PRO A 109 -7.352 12.261 12.023 1.00 0.00 C ATOM 1656 C PRO A 109 -6.135 11.347 12.110 1.00 0.00 C ATOM 1657 O PRO A 109 -6.201 10.219 11.624 1.00 0.00 O ATOM 1658 CB PRO A 109 -8.381 11.835 13.077 1.00 0.00 C ATOM 1659 CG PRO A 109 -9.722 11.893 12.352 1.00 0.00 C ATOM 1660 CD PRO A 109 -9.365 11.592 10.910 1.00 0.00 C ATOM 0 HA PRO A 109 -6.999 13.282 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.175 10.831 13.449 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.367 12.503 13.938 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.425 11.162 12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.189 12.873 12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.393 10.521 10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.067 12.063 10.222 1.00 0.00 H new ATOM 1668 N SER A 110 -5.103 11.764 12.845 1.00 0.00 N ATOM 1669 CA SER A 110 -4.139 10.842 13.420 1.00 0.00 C ATOM 1670 C SER A 110 -4.857 9.997 14.475 1.00 0.00 C ATOM 1671 O SER A 110 -4.989 10.419 15.625 1.00 0.00 O ATOM 1672 CB SER A 110 -2.939 11.590 14.008 1.00 0.00 C ATOM 1673 OG SER A 110 -2.045 11.972 12.974 1.00 0.00 O ATOM 0 H SER A 110 -4.918 12.745 13.054 1.00 0.00 H new ATOM 0 HA SER A 110 -3.739 10.188 12.645 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.281 12.473 14.548 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.423 10.955 14.729 1.00 0.00 H new ATOM 0 HG SER A 110 -1.283 12.451 13.361 1.00 0.00 H new ATOM 1679 N SER A 111 -5.285 8.806 14.063 1.00 0.00 N ATOM 1680 CA SER A 111 -5.961 7.754 14.809 1.00 0.00 C ATOM 1681 C SER A 111 -7.372 8.149 15.280 1.00 0.00 C ATOM 1682 O SER A 111 -7.665 9.302 15.610 1.00 0.00 O ATOM 1683 CB SER A 111 -5.039 7.263 15.936 1.00 0.00 C ATOM 1684 OG SER A 111 -3.741 6.983 15.414 1.00 0.00 O ATOM 0 H SER A 111 -5.150 8.527 13.091 1.00 0.00 H new ATOM 0 HA SER A 111 -6.149 6.915 14.139 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.971 8.020 16.718 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.457 6.367 16.395 1.00 0.00 H new ATOM 0 HG SER A 111 -3.158 6.672 16.137 1.00 0.00 H new ATOM 1690 N GLY A 112 -8.257 7.151 15.377 1.00 0.00 N ATOM 1691 CA GLY A 112 -9.698 7.350 15.481 1.00 0.00 C ATOM 1692 C GLY A 112 -10.215 7.573 14.081 1.00 0.00 C ATOM 1693 O GLY A 112 -10.472 6.562 13.406 1.00 0.00 O ATOM 0 H GLY A 112 -7.983 6.169 15.385 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -10.175 6.481 15.935 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.924 8.206 16.117 1.00 0.00 H new TER 1697 GLY A 112