USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 931 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -156:sc= -0.354 (180deg=-0.511) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.00508 USER MOD Single : A 3 SER OG : rot 65:sc= 0.294 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= -0.083 (180deg=-0.493) USER MOD Single : A 11 GLN : amide:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -179:sc= -1.77 (180deg=-1.78) USER MOD Single : A 15 MET CE :methyl -153:sc= -0.168 (180deg=-2.33) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0725 (180deg=-0.462) USER MOD Single : A 19 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=-0.0018) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.0032) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00309) USER MOD Single : A 34 ASN : amide:sc= -2.43! C(o=-2.4!,f=-11!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -128:sc=-0.00926 (180deg=-0.779) USER MOD Single : A 48 LYS NZ :NH3+ -102:sc= -1.68! (180deg=-4.19!) USER MOD Single : A 56 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.9!) USER MOD Single : A 58 CYS SG : rot 33:sc= 0.591 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0459) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0536) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 150:sc= -1.55 USER MOD Single : A 75 LYS NZ :NH3+ -118:sc= -0.192 (180deg=-1.18) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -120:sc= -0.447 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 99 HIS : no HD1:sc=-0.00751 X(o=-0.0075,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 100:sc= 1.11 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -2.38 F(o=-3.1!,f=-2.4) USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= -2.37 (180deg=-2.75!) USER MOD Single : A 109 SER OG : rot -19:sc= 0.556 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.869 20.103 4.531 1.00 0.00 N ATOM 2 CA GLY A 1 -11.067 20.861 5.752 1.00 0.00 C ATOM 3 C GLY A 1 -11.676 20.026 6.860 1.00 0.00 C ATOM 4 O GLY A 1 -12.843 20.202 7.210 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.451 20.718 3.804 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.230 19.304 4.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.784 19.742 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.110 21.261 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.714 21.713 5.546 1.00 0.00 H new ATOM 8 N SER A 2 -10.884 19.113 7.414 1.00 0.00 N ATOM 9 CA SER A 2 -11.354 18.243 8.486 1.00 0.00 C ATOM 10 C SER A 2 -12.810 17.845 8.264 1.00 0.00 C ATOM 11 O SER A 2 -13.609 17.826 9.200 1.00 0.00 O ATOM 12 CB SER A 2 -11.205 18.940 9.839 1.00 0.00 C ATOM 13 OG SER A 2 -11.175 17.998 10.898 1.00 0.00 O ATOM 0 H SER A 2 -9.914 18.957 7.138 1.00 0.00 H new ATOM 0 HA SER A 2 -10.744 17.340 8.481 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.289 19.531 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.033 19.633 9.988 1.00 0.00 H new ATOM 0 HG SER A 2 -11.988 17.451 10.872 1.00 0.00 H new ATOM 19 N SER A 3 -13.147 17.526 7.018 1.00 0.00 N ATOM 20 CA SER A 3 -14.507 17.132 6.671 1.00 0.00 C ATOM 21 C SER A 3 -14.536 15.711 6.116 1.00 0.00 C ATOM 22 O SER A 3 -15.374 14.898 6.503 1.00 0.00 O ATOM 23 CB SER A 3 -15.097 18.104 5.647 1.00 0.00 C ATOM 24 OG SER A 3 -15.582 19.277 6.278 1.00 0.00 O ATOM 0 H SER A 3 -12.497 17.533 6.232 1.00 0.00 H new ATOM 0 HA SER A 3 -15.110 17.161 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.336 18.370 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.907 17.618 5.104 1.00 0.00 H new ATOM 0 HG SER A 3 -14.833 19.768 6.676 1.00 0.00 H new ATOM 30 N GLY A 4 -13.612 15.420 5.205 1.00 0.00 N ATOM 31 CA GLY A 4 -13.548 14.097 4.610 1.00 0.00 C ATOM 32 C GLY A 4 -14.052 14.080 3.181 1.00 0.00 C ATOM 33 O GLY A 4 -15.108 14.637 2.881 1.00 0.00 O ATOM 0 H GLY A 4 -12.907 16.076 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.518 13.741 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.139 13.404 5.209 1.00 0.00 H new ATOM 37 N SER A 5 -13.296 13.439 2.296 1.00 0.00 N ATOM 38 CA SER A 5 -13.669 13.355 0.889 1.00 0.00 C ATOM 39 C SER A 5 -14.689 12.243 0.662 1.00 0.00 C ATOM 40 O SER A 5 -14.680 11.227 1.357 1.00 0.00 O ATOM 41 CB SER A 5 -12.431 13.111 0.024 1.00 0.00 C ATOM 42 OG SER A 5 -12.620 13.608 -1.289 1.00 0.00 O ATOM 0 H SER A 5 -12.421 12.970 2.529 1.00 0.00 H new ATOM 0 HA SER A 5 -14.122 14.304 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.566 13.594 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.216 12.043 -0.016 1.00 0.00 H new ATOM 0 HG SER A 5 -11.814 13.441 -1.821 1.00 0.00 H new ATOM 48 N SER A 6 -15.567 12.444 -0.315 1.00 0.00 N ATOM 49 CA SER A 6 -16.596 11.462 -0.632 1.00 0.00 C ATOM 50 C SER A 6 -15.975 10.100 -0.927 1.00 0.00 C ATOM 51 O SER A 6 -16.363 9.088 -0.344 1.00 0.00 O ATOM 52 CB SER A 6 -17.424 11.927 -1.831 1.00 0.00 C ATOM 53 OG SER A 6 -18.739 11.401 -1.779 1.00 0.00 O ATOM 0 H SER A 6 -15.586 13.279 -0.901 1.00 0.00 H new ATOM 0 HA SER A 6 -17.249 11.365 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.465 13.016 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.940 11.612 -2.755 1.00 0.00 H new ATOM 0 HG SER A 6 -19.248 11.715 -2.556 1.00 0.00 H new ATOM 59 N GLY A 7 -15.006 10.083 -1.837 1.00 0.00 N ATOM 60 CA GLY A 7 -14.346 8.841 -2.195 1.00 0.00 C ATOM 61 C GLY A 7 -13.037 8.646 -1.455 1.00 0.00 C ATOM 62 O GLY A 7 -13.029 8.308 -0.271 1.00 0.00 O ATOM 0 H GLY A 7 -14.666 10.907 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.010 8.004 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.158 8.829 -3.269 1.00 0.00 H new ATOM 66 N VAL A 8 -11.927 8.859 -2.154 1.00 0.00 N ATOM 67 CA VAL A 8 -10.606 8.704 -1.557 1.00 0.00 C ATOM 68 C VAL A 8 -10.617 9.106 -0.086 1.00 0.00 C ATOM 69 O VAL A 8 -11.050 10.205 0.265 1.00 0.00 O ATOM 70 CB VAL A 8 -9.552 9.547 -2.299 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.104 10.925 -2.628 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.279 9.657 -1.473 1.00 0.00 C ATOM 0 H VAL A 8 -11.916 9.139 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.343 7.650 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.308 9.047 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.345 11.506 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.984 10.822 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.379 11.436 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.546 10.256 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.504 10.133 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.874 8.661 -1.295 1.00 0.00 H new ATOM 82 N LEU A 9 -10.139 8.210 0.770 1.00 0.00 N ATOM 83 CA LEU A 9 -10.093 8.471 2.205 1.00 0.00 C ATOM 84 C LEU A 9 -8.876 9.316 2.566 1.00 0.00 C ATOM 85 O LEU A 9 -8.989 10.317 3.274 1.00 0.00 O ATOM 86 CB LEU A 9 -10.063 7.154 2.982 1.00 0.00 C ATOM 87 CG LEU A 9 -11.057 6.084 2.529 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.808 4.778 3.267 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.486 6.558 2.746 1.00 0.00 C ATOM 0 H LEU A 9 -9.778 7.296 0.496 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.991 9.026 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.057 6.739 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.249 7.372 4.034 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.912 5.908 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.525 4.028 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.796 4.430 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.925 4.938 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.180 5.784 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.645 6.763 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.659 7.468 2.171 1.00 0.00 H new ATOM 101 N LYS A 10 -7.712 8.909 2.073 1.00 0.00 N ATOM 102 CA LYS A 10 -6.473 9.629 2.340 1.00 0.00 C ATOM 103 C LYS A 10 -5.740 9.951 1.041 1.00 0.00 C ATOM 104 O LYS A 10 -5.891 9.248 0.043 1.00 0.00 O ATOM 105 CB LYS A 10 -5.567 8.806 3.259 1.00 0.00 C ATOM 106 CG LYS A 10 -4.678 9.652 4.154 1.00 0.00 C ATOM 107 CD LYS A 10 -3.766 8.789 5.010 1.00 0.00 C ATOM 108 CE LYS A 10 -2.999 9.623 6.023 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.912 10.367 6.934 1.00 0.00 N ATOM 0 H LYS A 10 -7.601 8.083 1.485 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.727 10.566 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.186 8.160 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.940 8.155 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.076 10.323 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.297 10.278 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.359 8.037 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.063 8.255 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.350 8.974 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.355 10.329 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.392 10.656 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.275 11.211 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.707 9.754 7.205 1.00 0.00 H new ATOM 123 N GLN A 11 -4.945 11.016 1.064 1.00 0.00 N ATOM 124 CA GLN A 11 -4.188 11.429 -0.112 1.00 0.00 C ATOM 125 C GLN A 11 -3.000 12.300 0.283 1.00 0.00 C ATOM 126 O GLN A 11 -3.135 13.227 1.080 1.00 0.00 O ATOM 127 CB GLN A 11 -5.092 12.189 -1.085 1.00 0.00 C ATOM 128 CG GLN A 11 -5.763 13.405 -0.468 1.00 0.00 C ATOM 129 CD GLN A 11 -6.823 14.007 -1.370 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.952 14.252 -0.942 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.465 14.249 -2.625 1.00 0.00 N ATOM 0 H GLN A 11 -4.808 11.608 1.883 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.810 10.532 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.501 12.507 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.860 11.512 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.217 13.122 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.008 14.159 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.519 14.030 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.136 14.654 -3.278 1.00 0.00 H new ATOM 140 N GLY A 12 -1.835 11.994 -0.281 1.00 0.00 N ATOM 141 CA GLY A 12 -0.640 12.758 0.026 1.00 0.00 C ATOM 142 C GLY A 12 0.578 12.254 -0.723 1.00 0.00 C ATOM 143 O GLY A 12 0.600 11.116 -1.191 1.00 0.00 O ATOM 0 H GLY A 12 -1.698 11.231 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.808 13.806 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.448 12.712 1.098 1.00 0.00 H new ATOM 147 N TYR A 13 1.593 13.103 -0.837 1.00 0.00 N ATOM 148 CA TYR A 13 2.819 12.739 -1.538 1.00 0.00 C ATOM 149 C TYR A 13 3.621 11.717 -0.737 1.00 0.00 C ATOM 150 O TYR A 13 4.013 11.973 0.401 1.00 0.00 O ATOM 151 CB TYR A 13 3.671 13.982 -1.798 1.00 0.00 C ATOM 152 CG TYR A 13 3.346 14.678 -3.100 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.312 13.973 -4.297 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.071 16.039 -3.133 1.00 0.00 C ATOM 155 CE1 TYR A 13 3.016 14.605 -5.490 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.773 16.679 -4.321 1.00 0.00 C ATOM 157 CZ TYR A 13 2.747 15.958 -5.496 1.00 0.00 C ATOM 158 OH TYR A 13 2.450 16.591 -6.682 1.00 0.00 O ATOM 0 H TYR A 13 1.591 14.048 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 13 2.543 12.290 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.534 14.685 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.723 13.697 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.520 12.913 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.090 16.607 -2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.995 14.043 -6.412 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.562 17.738 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 13 2.285 17.542 -6.513 1.00 0.00 H new ATOM 168 N MET A 14 3.860 10.558 -1.342 1.00 0.00 N ATOM 169 CA MET A 14 4.617 9.497 -0.687 1.00 0.00 C ATOM 170 C MET A 14 5.763 9.020 -1.574 1.00 0.00 C ATOM 171 O MET A 14 5.653 9.021 -2.800 1.00 0.00 O ATOM 172 CB MET A 14 3.699 8.323 -0.345 1.00 0.00 C ATOM 173 CG MET A 14 2.694 8.636 0.752 1.00 0.00 C ATOM 174 SD MET A 14 2.104 7.157 1.597 1.00 0.00 S ATOM 175 CE MET A 14 1.220 6.339 0.271 1.00 0.00 C ATOM 0 H MET A 14 3.541 10.330 -2.284 1.00 0.00 H new ATOM 0 HA MET A 14 5.037 9.900 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.161 8.020 -1.243 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.309 7.474 -0.036 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.153 9.306 1.479 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.845 9.166 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.781 5.414 0.643 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.430 6.993 -0.097 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.911 6.112 -0.541 1.00 0.00 H new ATOM 185 N MET A 15 6.862 8.614 -0.946 1.00 0.00 N ATOM 186 CA MET A 15 8.027 8.134 -1.679 1.00 0.00 C ATOM 187 C MET A 15 7.973 6.620 -1.855 1.00 0.00 C ATOM 188 O MET A 15 8.105 5.867 -0.890 1.00 0.00 O ATOM 189 CB MET A 15 9.313 8.528 -0.950 1.00 0.00 C ATOM 190 CG MET A 15 9.524 10.031 -0.860 1.00 0.00 C ATOM 191 SD MET A 15 11.253 10.476 -0.609 1.00 0.00 S ATOM 192 CE MET A 15 11.881 10.350 -2.282 1.00 0.00 C ATOM 0 H MET A 15 6.970 8.608 0.068 1.00 0.00 H new ATOM 0 HA MET A 15 8.020 8.597 -2.666 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.292 8.111 0.057 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.164 8.080 -1.463 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.161 10.500 -1.774 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.928 10.429 -0.039 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.946 10.118 -2.254 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.351 9.558 -2.811 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.729 11.297 -2.800 1.00 0.00 H new ATOM 202 N LYS A 16 7.777 6.179 -3.093 1.00 0.00 N ATOM 203 CA LYS A 16 7.706 4.755 -3.397 1.00 0.00 C ATOM 204 C LYS A 16 9.010 4.265 -4.017 1.00 0.00 C ATOM 205 O LYS A 16 9.554 4.895 -4.924 1.00 0.00 O ATOM 206 CB LYS A 16 6.539 4.472 -4.346 1.00 0.00 C ATOM 207 CG LYS A 16 6.519 3.050 -4.879 1.00 0.00 C ATOM 208 CD LYS A 16 5.901 2.982 -6.265 1.00 0.00 C ATOM 209 CE LYS A 16 5.543 1.554 -6.647 1.00 0.00 C ATOM 210 NZ LYS A 16 4.244 1.131 -6.054 1.00 0.00 N ATOM 0 H LYS A 16 7.664 6.789 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 16 7.544 4.218 -2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.602 4.669 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.588 5.165 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.536 2.659 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.956 2.413 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.006 3.603 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.599 3.391 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.491 1.470 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.332 0.880 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.218 0.094 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.141 1.550 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.464 1.453 -6.662 1.00 0.00 H new ATOM 224 N LYS A 17 9.507 3.136 -3.524 1.00 0.00 N ATOM 225 CA LYS A 17 10.747 2.559 -4.032 1.00 0.00 C ATOM 226 C LYS A 17 10.542 1.967 -5.423 1.00 0.00 C ATOM 227 O LYS A 17 9.792 1.007 -5.596 1.00 0.00 O ATOM 228 CB LYS A 17 11.259 1.478 -3.077 1.00 0.00 C ATOM 229 CG LYS A 17 12.762 1.272 -3.141 1.00 0.00 C ATOM 230 CD LYS A 17 13.293 0.639 -1.866 1.00 0.00 C ATOM 231 CE LYS A 17 14.776 0.923 -1.678 1.00 0.00 C ATOM 232 NZ LYS A 17 15.617 0.113 -2.602 1.00 0.00 N ATOM 0 H LYS A 17 9.070 2.602 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 17 11.488 3.356 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.980 1.744 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.762 0.536 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.007 0.638 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.255 2.230 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.737 1.021 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.129 -0.438 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.967 1.983 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.059 0.709 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.560 0.545 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.709 -0.854 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.170 0.081 -3.541 1.00 0.00 H new ATOM 246 N GLY A 18 11.215 2.547 -6.412 1.00 0.00 N ATOM 247 CA GLY A 18 11.094 2.062 -7.775 1.00 0.00 C ATOM 248 C GLY A 18 11.069 0.549 -7.852 1.00 0.00 C ATOM 249 O GLY A 18 11.906 -0.125 -7.250 1.00 0.00 O ATOM 0 H GLY A 18 11.841 3.343 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.182 2.460 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.928 2.439 -8.367 1.00 0.00 H new ATOM 253 N HIS A 19 10.105 0.011 -8.594 1.00 0.00 N ATOM 254 CA HIS A 19 9.974 -1.433 -8.747 1.00 0.00 C ATOM 255 C HIS A 19 11.339 -2.085 -8.948 1.00 0.00 C ATOM 256 O HIS A 19 11.683 -3.051 -8.267 1.00 0.00 O ATOM 257 CB HIS A 19 9.060 -1.761 -9.928 1.00 0.00 C ATOM 258 CG HIS A 19 7.606 -1.797 -9.568 1.00 0.00 C ATOM 259 ND1 HIS A 19 6.700 -2.635 -10.182 1.00 0.00 N ATOM 260 CD2 HIS A 19 6.904 -1.092 -8.651 1.00 0.00 C ATOM 261 CE1 HIS A 19 5.502 -2.443 -9.659 1.00 0.00 C ATOM 262 NE2 HIS A 19 5.599 -1.512 -8.727 1.00 0.00 N ATOM 0 H HIS A 19 9.404 0.554 -9.098 1.00 0.00 H new ATOM 0 HA HIS A 19 9.532 -1.831 -7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.213 -1.020 -10.712 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.347 -2.727 -10.342 1.00 0.00 H new ATOM 0 HD2 HIS A 19 7.297 -0.339 -7.984 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.597 -2.959 -9.945 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.829 -1.162 -8.156 1.00 0.00 H new ATOM 271 N ARG A 20 12.111 -1.550 -9.889 1.00 0.00 N ATOM 272 CA ARG A 20 13.437 -2.080 -10.181 1.00 0.00 C ATOM 273 C ARG A 20 14.523 -1.192 -9.580 1.00 0.00 C ATOM 274 O ARG A 20 15.484 -1.683 -8.989 1.00 0.00 O ATOM 275 CB ARG A 20 13.640 -2.201 -11.692 1.00 0.00 C ATOM 276 CG ARG A 20 14.833 -3.059 -12.081 1.00 0.00 C ATOM 277 CD ARG A 20 16.144 -2.316 -11.876 1.00 0.00 C ATOM 278 NE ARG A 20 17.195 -2.805 -12.764 1.00 0.00 N ATOM 279 CZ ARG A 20 17.170 -2.656 -14.084 1.00 0.00 C ATOM 280 NH1 ARG A 20 16.153 -2.035 -14.665 1.00 0.00 N ATOM 281 NH2 ARG A 20 18.164 -3.129 -14.825 1.00 0.00 N ATOM 0 H ARG A 20 11.841 -0.750 -10.462 1.00 0.00 H new ATOM 0 HA ARG A 20 13.512 -3.070 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.739 -2.623 -12.138 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.768 -1.204 -12.114 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.835 -3.973 -11.487 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.742 -3.358 -13.125 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.988 -1.251 -12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.465 -2.426 -10.840 1.00 0.00 H new ATOM 0 HE ARG A 20 17.992 -3.287 -12.348 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.387 -1.670 -14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.136 -1.922 -15.679 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.948 -3.607 -14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.144 -3.014 -15.838 1.00 0.00 H new ATOM 295 N ARG A 21 14.362 0.118 -9.737 1.00 0.00 N ATOM 296 CA ARG A 21 15.329 1.075 -9.212 1.00 0.00 C ATOM 297 C ARG A 21 15.192 1.211 -7.699 1.00 0.00 C ATOM 298 O ARG A 21 14.225 0.732 -7.106 1.00 0.00 O ATOM 299 CB ARG A 21 15.141 2.439 -9.878 1.00 0.00 C ATOM 300 CG ARG A 21 15.535 2.461 -11.345 1.00 0.00 C ATOM 301 CD ARG A 21 17.038 2.308 -11.521 1.00 0.00 C ATOM 302 NE ARG A 21 17.769 3.460 -11.000 1.00 0.00 N ATOM 303 CZ ARG A 21 17.976 4.574 -11.693 1.00 0.00 C ATOM 304 NH1 ARG A 21 17.508 4.687 -12.928 1.00 0.00 N ATOM 305 NH2 ARG A 21 18.651 5.579 -11.150 1.00 0.00 N ATOM 0 H ARG A 21 13.571 0.541 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 21 16.329 0.704 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.097 2.737 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.732 3.181 -9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.022 1.657 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.208 3.398 -11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.373 1.405 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.268 2.180 -12.579 1.00 0.00 H new ATOM 0 HE ARG A 21 18.141 3.406 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.987 3.917 -13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.668 5.544 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.012 5.497 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.809 6.434 -11.683 1.00 0.00 H new ATOM 319 N LYS A 22 16.167 1.868 -7.079 1.00 0.00 N ATOM 320 CA LYS A 22 16.156 2.069 -5.635 1.00 0.00 C ATOM 321 C LYS A 22 15.810 3.514 -5.289 1.00 0.00 C ATOM 322 O LYS A 22 14.864 3.775 -4.547 1.00 0.00 O ATOM 323 CB LYS A 22 17.517 1.703 -5.038 1.00 0.00 C ATOM 324 CG LYS A 22 17.815 0.214 -5.071 1.00 0.00 C ATOM 325 CD LYS A 22 18.364 -0.215 -6.422 1.00 0.00 C ATOM 326 CE LYS A 22 19.807 0.232 -6.603 1.00 0.00 C ATOM 327 NZ LYS A 22 20.462 -0.461 -7.747 1.00 0.00 N ATOM 0 H LYS A 22 16.975 2.270 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 22 15.392 1.419 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 22 18.298 2.233 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.557 2.050 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.535 -0.031 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.905 -0.345 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.303 -1.299 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.749 0.207 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.836 1.309 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.366 0.033 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.444 -0.130 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.457 -1.487 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.943 -0.251 -8.623 1.00 0.00 H new ATOM 341 N ASN A 23 16.581 4.449 -5.834 1.00 0.00 N ATOM 342 CA ASN A 23 16.355 5.868 -5.584 1.00 0.00 C ATOM 343 C ASN A 23 14.866 6.162 -5.432 1.00 0.00 C ATOM 344 O ASN A 23 14.108 6.097 -6.399 1.00 0.00 O ATOM 345 CB ASN A 23 16.938 6.707 -6.722 1.00 0.00 C ATOM 346 CG ASN A 23 18.452 6.785 -6.666 1.00 0.00 C ATOM 347 OD1 ASN A 23 19.023 7.279 -5.693 1.00 0.00 O ATOM 348 ND2 ASN A 23 19.109 6.298 -7.712 1.00 0.00 N ATOM 0 H ASN A 23 17.368 4.250 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 23 16.857 6.132 -4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.634 6.280 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.523 7.714 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 23 20.128 6.324 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.594 5.898 -8.496 1.00 0.00 H new ATOM 355 N TRP A 24 14.454 6.487 -4.211 1.00 0.00 N ATOM 356 CA TRP A 24 13.056 6.792 -3.932 1.00 0.00 C ATOM 357 C TRP A 24 12.578 7.971 -4.773 1.00 0.00 C ATOM 358 O TRP A 24 13.370 8.829 -5.165 1.00 0.00 O ATOM 359 CB TRP A 24 12.867 7.100 -2.446 1.00 0.00 C ATOM 360 CG TRP A 24 13.202 5.944 -1.552 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.446 5.571 -1.128 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.282 5.011 -0.976 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.354 4.461 -0.322 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.037 4.099 -0.213 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.894 4.858 -1.029 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.449 3.050 0.489 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.312 3.817 -0.332 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.088 2.924 0.420 1.00 0.00 C ATOM 0 H TRP A 24 15.069 6.546 -3.399 1.00 0.00 H new ATOM 0 HA TRP A 24 12.460 5.918 -4.193 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.492 7.951 -2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.833 7.396 -2.272 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.366 6.074 -1.388 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.139 3.984 0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.287 5.541 -1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.046 2.360 1.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.240 3.689 -0.367 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.603 2.121 0.955 1.00 0.00 H new ATOM 379 N THR A 25 11.278 8.009 -5.047 1.00 0.00 N ATOM 380 CA THR A 25 10.695 9.082 -5.842 1.00 0.00 C ATOM 381 C THR A 25 9.319 9.473 -5.313 1.00 0.00 C ATOM 382 O THR A 25 8.474 8.615 -5.064 1.00 0.00 O ATOM 383 CB THR A 25 10.567 8.678 -7.323 1.00 0.00 C ATOM 384 OG1 THR A 25 10.132 7.318 -7.425 1.00 0.00 O ATOM 385 CG2 THR A 25 11.896 8.846 -8.046 1.00 0.00 C ATOM 0 H THR A 25 10.608 7.308 -4.730 1.00 0.00 H new ATOM 0 HA THR A 25 11.368 9.936 -5.763 1.00 0.00 H new ATOM 0 HB THR A 25 9.830 9.330 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.052 7.070 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.782 8.555 -9.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.210 9.888 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.649 8.215 -7.574 1.00 0.00 H new ATOM 393 N GLU A 26 9.103 10.774 -5.146 1.00 0.00 N ATOM 394 CA GLU A 26 7.828 11.277 -4.646 1.00 0.00 C ATOM 395 C GLU A 26 6.701 10.974 -5.629 1.00 0.00 C ATOM 396 O GLU A 26 6.810 11.257 -6.822 1.00 0.00 O ATOM 397 CB GLU A 26 7.912 12.785 -4.399 1.00 0.00 C ATOM 398 CG GLU A 26 6.595 13.404 -3.963 1.00 0.00 C ATOM 399 CD GLU A 26 6.579 14.912 -4.120 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.636 15.541 -3.905 1.00 0.00 O ATOM 401 OE2 GLU A 26 5.511 15.463 -4.457 1.00 0.00 O ATOM 0 H GLU A 26 9.793 11.498 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 26 7.611 10.773 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.665 12.978 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.250 13.276 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.783 12.973 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.405 13.149 -2.920 1.00 0.00 H new ATOM 408 N ARG A 27 5.619 10.396 -5.118 1.00 0.00 N ATOM 409 CA ARG A 27 4.472 10.052 -5.950 1.00 0.00 C ATOM 410 C ARG A 27 3.169 10.214 -5.173 1.00 0.00 C ATOM 411 O ARG A 27 3.099 9.896 -3.986 1.00 0.00 O ATOM 412 CB ARG A 27 4.598 8.615 -6.461 1.00 0.00 C ATOM 413 CG ARG A 27 5.636 8.449 -7.559 1.00 0.00 C ATOM 414 CD ARG A 27 5.026 8.651 -8.937 1.00 0.00 C ATOM 415 NE ARG A 27 6.007 9.136 -9.904 1.00 0.00 N ATOM 416 CZ ARG A 27 6.990 8.387 -10.391 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.122 7.126 -10.004 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.844 8.899 -11.268 1.00 0.00 N ATOM 0 H ARG A 27 5.512 10.156 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 27 4.455 10.733 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.856 7.963 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.629 8.285 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.444 9.165 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.077 7.454 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.605 7.709 -9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.203 9.362 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 27 5.933 10.102 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.468 6.728 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.878 6.554 -10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.746 9.869 -11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.598 8.323 -11.641 1.00 0.00 H new ATOM 432 N TRP A 28 2.140 10.711 -5.850 1.00 0.00 N ATOM 433 CA TRP A 28 0.839 10.916 -5.223 1.00 0.00 C ATOM 434 C TRP A 28 0.109 9.590 -5.040 1.00 0.00 C ATOM 435 O TRP A 28 0.104 8.743 -5.933 1.00 0.00 O ATOM 436 CB TRP A 28 -0.011 11.869 -6.065 1.00 0.00 C ATOM 437 CG TRP A 28 -1.162 12.462 -5.310 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.489 12.207 -5.505 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.087 13.411 -4.241 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.244 12.941 -4.622 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.407 13.687 -3.835 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.033 14.054 -3.586 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.698 14.578 -2.805 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.323 14.938 -2.564 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.647 15.193 -2.181 1.00 0.00 C ATOM 0 H TRP A 28 2.181 10.980 -6.833 1.00 0.00 H new ATOM 0 HA TRP A 28 1.002 11.358 -4.240 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.621 12.674 -6.440 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.393 11.333 -6.934 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.887 11.528 -6.245 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.262 12.932 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.990 13.863 -3.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.718 14.777 -2.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.484 15.441 -2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.841 15.888 -1.378 1.00 0.00 H new ATOM 456 N PHE A 29 -0.509 9.416 -3.876 1.00 0.00 N ATOM 457 CA PHE A 29 -1.242 8.192 -3.575 1.00 0.00 C ATOM 458 C PHE A 29 -2.685 8.504 -3.188 1.00 0.00 C ATOM 459 O PHE A 29 -2.961 9.512 -2.538 1.00 0.00 O ATOM 460 CB PHE A 29 -0.554 7.424 -2.445 1.00 0.00 C ATOM 461 CG PHE A 29 0.498 6.466 -2.925 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.766 6.916 -3.253 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.218 5.114 -3.049 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.737 6.036 -3.695 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.184 4.230 -3.490 1.00 0.00 C ATOM 466 CZ PHE A 29 2.445 4.692 -3.815 1.00 0.00 C ATOM 0 H PHE A 29 -0.517 10.107 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.250 7.573 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.099 8.136 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.306 6.872 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.999 7.967 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.766 4.747 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.722 6.400 -3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.954 3.179 -3.581 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.201 4.003 -4.162 1.00 0.00 H new ATOM 476 N VAL A 30 -3.602 7.632 -3.594 1.00 0.00 N ATOM 477 CA VAL A 30 -5.017 7.812 -3.291 1.00 0.00 C ATOM 478 C VAL A 30 -5.592 6.581 -2.600 1.00 0.00 C ATOM 479 O VAL A 30 -5.939 5.595 -3.252 1.00 0.00 O ATOM 480 CB VAL A 30 -5.832 8.101 -4.565 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.317 8.179 -4.243 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.353 9.385 -5.224 1.00 0.00 C ATOM 0 H VAL A 30 -3.390 6.793 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.091 8.668 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.679 7.281 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.877 8.384 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.648 7.231 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.492 8.978 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.940 9.574 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.474 10.217 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.301 9.286 -5.492 1.00 0.00 H new ATOM 492 N LEU A 31 -5.692 6.644 -1.277 1.00 0.00 N ATOM 493 CA LEU A 31 -6.227 5.534 -0.496 1.00 0.00 C ATOM 494 C LEU A 31 -7.743 5.449 -0.638 1.00 0.00 C ATOM 495 O LEU A 31 -8.479 6.230 -0.036 1.00 0.00 O ATOM 496 CB LEU A 31 -5.849 5.693 0.978 1.00 0.00 C ATOM 497 CG LEU A 31 -6.454 4.669 1.939 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.963 3.268 1.606 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.115 5.025 3.380 1.00 0.00 C ATOM 0 H LEU A 31 -5.410 7.452 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.793 4.610 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.763 5.643 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.148 6.689 1.304 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.538 4.689 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.404 2.553 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.256 3.012 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.877 3.233 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.554 4.286 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.033 5.034 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.516 6.011 3.615 1.00 0.00 H new ATOM 511 N LYS A 32 -8.204 4.492 -1.437 1.00 0.00 N ATOM 512 CA LYS A 32 -9.633 4.301 -1.657 1.00 0.00 C ATOM 513 C LYS A 32 -10.232 3.398 -0.584 1.00 0.00 C ATOM 514 O LYS A 32 -9.524 2.682 0.126 1.00 0.00 O ATOM 515 CB LYS A 32 -9.881 3.700 -3.042 1.00 0.00 C ATOM 516 CG LYS A 32 -10.040 4.740 -4.137 1.00 0.00 C ATOM 517 CD LYS A 32 -11.343 5.507 -3.993 1.00 0.00 C ATOM 518 CE LYS A 32 -11.381 6.719 -4.911 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.770 7.049 -5.338 1.00 0.00 N ATOM 0 H LYS A 32 -7.608 3.837 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.118 5.275 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.051 3.041 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.779 3.083 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.202 5.436 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.010 4.252 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.181 4.849 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.465 5.829 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.945 7.577 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.767 6.528 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.755 7.891 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.171 6.247 -5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.355 7.240 -4.500 1.00 0.00 H new ATOM 533 N PRO A 33 -11.567 3.428 -0.461 1.00 0.00 N ATOM 534 CA PRO A 33 -12.291 2.615 0.521 1.00 0.00 C ATOM 535 C PRO A 33 -12.257 1.129 0.182 1.00 0.00 C ATOM 536 O PRO A 33 -12.371 0.279 1.065 1.00 0.00 O ATOM 537 CB PRO A 33 -13.723 3.151 0.439 1.00 0.00 C ATOM 538 CG PRO A 33 -13.836 3.718 -0.934 1.00 0.00 C ATOM 539 CD PRO A 33 -12.474 4.256 -1.274 1.00 0.00 C ATOM 0 HA PRO A 33 -11.850 2.689 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.453 2.358 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.905 3.912 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.143 2.953 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.587 4.507 -0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.259 4.161 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.386 5.313 -1.024 1.00 0.00 H new ATOM 547 N ASN A 34 -12.101 0.823 -1.101 1.00 0.00 N ATOM 548 CA ASN A 34 -12.052 -0.562 -1.557 1.00 0.00 C ATOM 549 C ASN A 34 -10.915 -0.767 -2.553 1.00 0.00 C ATOM 550 O ASN A 34 -10.974 -1.656 -3.403 1.00 0.00 O ATOM 551 CB ASN A 34 -13.384 -0.956 -2.198 1.00 0.00 C ATOM 552 CG ASN A 34 -14.541 -0.882 -1.220 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.580 -0.009 -0.353 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.490 -1.800 -1.356 1.00 0.00 N ATOM 0 H ASN A 34 -12.006 1.515 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.871 -1.198 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.585 -0.299 -3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.309 -1.970 -2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.293 -1.800 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.416 -2.505 -2.089 1.00 0.00 H new ATOM 561 N ILE A 35 -9.881 0.059 -2.441 1.00 0.00 N ATOM 562 CA ILE A 35 -8.730 -0.033 -3.330 1.00 0.00 C ATOM 563 C ILE A 35 -7.687 1.026 -2.991 1.00 0.00 C ATOM 564 O ILE A 35 -7.878 1.830 -2.077 1.00 0.00 O ATOM 565 CB ILE A 35 -9.144 0.123 -4.805 1.00 0.00 C ATOM 566 CG1 ILE A 35 -8.125 -0.561 -5.718 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.280 1.596 -5.163 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.742 -1.193 -6.946 1.00 0.00 C ATOM 0 H ILE A 35 -9.817 0.800 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.298 -1.023 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.112 -0.357 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.381 0.171 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.598 -1.328 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.573 1.691 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.039 2.056 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.325 2.098 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.961 -1.659 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.465 -1.949 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.245 -0.427 -7.536 1.00 0.00 H new ATOM 580 N ILE A 36 -6.585 1.023 -3.733 1.00 0.00 N ATOM 581 CA ILE A 36 -5.513 1.986 -3.513 1.00 0.00 C ATOM 582 C ILE A 36 -4.794 2.315 -4.817 1.00 0.00 C ATOM 583 O ILE A 36 -4.007 1.515 -5.323 1.00 0.00 O ATOM 584 CB ILE A 36 -4.486 1.462 -2.492 1.00 0.00 C ATOM 585 CG1 ILE A 36 -5.154 1.239 -1.133 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.323 2.434 -2.363 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.184 0.849 -0.040 1.00 0.00 C ATOM 0 H ILE A 36 -6.411 0.364 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.977 2.890 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.098 0.507 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.673 2.151 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.910 0.460 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.606 2.049 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.835 2.548 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.694 3.403 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.727 0.707 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.683 -0.080 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.443 1.638 0.087 1.00 0.00 H new ATOM 599 N SER A 37 -5.068 3.499 -5.355 1.00 0.00 N ATOM 600 CA SER A 37 -4.449 3.935 -6.601 1.00 0.00 C ATOM 601 C SER A 37 -3.566 5.157 -6.371 1.00 0.00 C ATOM 602 O SER A 37 -3.906 6.044 -5.587 1.00 0.00 O ATOM 603 CB SER A 37 -5.521 4.255 -7.644 1.00 0.00 C ATOM 604 OG SER A 37 -6.391 3.153 -7.836 1.00 0.00 O ATOM 0 H SER A 37 -5.715 4.174 -4.947 1.00 0.00 H new ATOM 0 HA SER A 37 -3.824 3.122 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.095 5.124 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.046 4.517 -8.590 1.00 0.00 H new ATOM 0 HG SER A 37 -7.068 3.383 -8.506 1.00 0.00 H new ATOM 610 N TYR A 38 -2.430 5.197 -7.060 1.00 0.00 N ATOM 611 CA TYR A 38 -1.496 6.309 -6.929 1.00 0.00 C ATOM 612 C TYR A 38 -1.227 6.956 -8.284 1.00 0.00 C ATOM 613 O TYR A 38 -0.919 6.272 -9.261 1.00 0.00 O ATOM 614 CB TYR A 38 -0.182 5.829 -6.311 1.00 0.00 C ATOM 615 CG TYR A 38 0.415 4.630 -7.012 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.231 3.400 -6.999 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.625 4.727 -7.688 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.311 2.302 -7.638 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.174 3.635 -8.331 1.00 0.00 C ATOM 620 CZ TYR A 38 1.513 2.424 -8.303 1.00 0.00 C ATOM 621 OH TYR A 38 2.056 1.333 -8.942 1.00 0.00 O ATOM 0 H TYR A 38 -2.134 4.473 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.947 7.054 -6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.539 6.647 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.353 5.579 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.173 3.301 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.145 5.673 -7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.204 1.353 -7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.115 3.728 -8.853 1.00 0.00 H new ATOM 0 HH TYR A 38 2.904 1.588 -9.362 1.00 0.00 H new ATOM 631 N TYR A 39 -1.344 8.278 -8.335 1.00 0.00 N ATOM 632 CA TYR A 39 -1.115 9.019 -9.570 1.00 0.00 C ATOM 633 C TYR A 39 0.270 9.657 -9.573 1.00 0.00 C ATOM 634 O TYR A 39 0.768 10.096 -8.536 1.00 0.00 O ATOM 635 CB TYR A 39 -2.186 10.097 -9.749 1.00 0.00 C ATOM 636 CG TYR A 39 -3.588 9.543 -9.872 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.267 9.066 -8.758 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.232 9.496 -11.102 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.548 8.558 -8.865 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.513 8.991 -11.219 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.166 8.524 -10.098 1.00 0.00 C ATOM 642 OH TYR A 39 -7.442 8.019 -10.210 1.00 0.00 O ATOM 0 H TYR A 39 -1.596 8.859 -7.535 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.174 8.317 -10.402 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.147 10.780 -8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.956 10.682 -10.640 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.786 9.093 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.723 9.860 -11.982 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.062 8.190 -7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.000 8.962 -12.183 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.732 8.068 -11.145 1.00 0.00 H new ATOM 652 N VAL A 40 0.889 9.707 -10.749 1.00 0.00 N ATOM 653 CA VAL A 40 2.217 10.293 -10.890 1.00 0.00 C ATOM 654 C VAL A 40 2.261 11.700 -10.305 1.00 0.00 C ATOM 655 O VAL A 40 3.320 12.183 -9.903 1.00 0.00 O ATOM 656 CB VAL A 40 2.651 10.349 -12.367 1.00 0.00 C ATOM 657 CG1 VAL A 40 1.670 11.179 -13.181 1.00 0.00 C ATOM 658 CG2 VAL A 40 4.061 10.907 -12.486 1.00 0.00 C ATOM 0 H VAL A 40 0.492 9.349 -11.618 1.00 0.00 H new ATOM 0 HA VAL A 40 2.907 9.652 -10.340 1.00 0.00 H new ATOM 0 HB VAL A 40 2.651 9.335 -12.767 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.993 11.207 -14.222 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.678 10.732 -13.121 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.635 12.194 -12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.352 10.940 -13.536 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.090 11.914 -12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.753 10.268 -11.938 1.00 0.00 H new ATOM 668 N SER A 41 1.104 12.353 -10.260 1.00 0.00 N ATOM 669 CA SER A 41 1.011 13.707 -9.727 1.00 0.00 C ATOM 670 C SER A 41 -0.199 13.848 -8.809 1.00 0.00 C ATOM 671 O SER A 41 -1.041 12.953 -8.733 1.00 0.00 O ATOM 672 CB SER A 41 0.921 14.722 -10.867 1.00 0.00 C ATOM 673 OG SER A 41 -0.197 14.458 -11.698 1.00 0.00 O ATOM 0 H SER A 41 0.218 11.966 -10.586 1.00 0.00 H new ATOM 0 HA SER A 41 1.912 13.904 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.843 15.729 -10.456 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.835 14.689 -11.460 1.00 0.00 H new ATOM 0 HG SER A 41 -0.233 15.122 -12.418 1.00 0.00 H new ATOM 679 N GLU A 42 -0.279 14.978 -8.113 1.00 0.00 N ATOM 680 CA GLU A 42 -1.386 15.235 -7.200 1.00 0.00 C ATOM 681 C GLU A 42 -2.575 15.838 -7.942 1.00 0.00 C ATOM 682 O GLU A 42 -3.369 16.581 -7.364 1.00 0.00 O ATOM 683 CB GLU A 42 -0.942 16.175 -6.077 1.00 0.00 C ATOM 684 CG GLU A 42 -0.889 17.636 -6.491 1.00 0.00 C ATOM 685 CD GLU A 42 -0.129 18.496 -5.500 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.166 18.184 -4.292 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.503 19.482 -5.934 1.00 0.00 O ATOM 0 H GLU A 42 0.409 15.729 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.695 14.283 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.626 16.069 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.044 15.869 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.418 17.715 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.905 18.018 -6.594 1.00 0.00 H new ATOM 694 N ASP A 43 -2.691 15.513 -9.225 1.00 0.00 N ATOM 695 CA ASP A 43 -3.782 16.022 -10.047 1.00 0.00 C ATOM 696 C ASP A 43 -4.807 14.927 -10.328 1.00 0.00 C ATOM 697 O ASP A 43 -5.985 15.207 -10.554 1.00 0.00 O ATOM 698 CB ASP A 43 -3.240 16.580 -11.363 1.00 0.00 C ATOM 699 CG ASP A 43 -4.223 17.511 -12.046 1.00 0.00 C ATOM 700 OD1 ASP A 43 -5.330 17.051 -12.397 1.00 0.00 O ATOM 701 OD2 ASP A 43 -3.886 18.699 -12.229 1.00 0.00 O ATOM 0 H ASP A 43 -2.043 14.899 -9.718 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.275 16.824 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.310 17.115 -11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.000 15.754 -12.033 1.00 0.00 H new ATOM 706 N LEU A 44 -4.350 13.679 -10.313 1.00 0.00 N ATOM 707 CA LEU A 44 -5.227 12.541 -10.567 1.00 0.00 C ATOM 708 C LEU A 44 -5.579 12.445 -12.048 1.00 0.00 C ATOM 709 O LEU A 44 -6.706 12.107 -12.409 1.00 0.00 O ATOM 710 CB LEU A 44 -6.504 12.660 -9.734 1.00 0.00 C ATOM 711 CG LEU A 44 -6.320 13.106 -8.283 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.670 13.319 -7.615 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.496 12.086 -7.512 1.00 0.00 C ATOM 0 H LEU A 44 -3.378 13.430 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.696 11.633 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.172 13.366 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.006 11.692 -9.735 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.782 14.054 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.519 13.636 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.225 14.087 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.234 12.386 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.375 12.420 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.006 11.123 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.516 11.984 -7.977 1.00 0.00 H new ATOM 725 N LYS A 45 -4.606 12.743 -12.903 1.00 0.00 N ATOM 726 CA LYS A 45 -4.811 12.687 -14.345 1.00 0.00 C ATOM 727 C LYS A 45 -4.081 11.494 -14.953 1.00 0.00 C ATOM 728 O LYS A 45 -4.621 10.794 -15.809 1.00 0.00 O ATOM 729 CB LYS A 45 -4.325 13.983 -15.000 1.00 0.00 C ATOM 730 CG LYS A 45 -4.899 15.237 -14.365 1.00 0.00 C ATOM 731 CD LYS A 45 -5.084 16.346 -15.388 1.00 0.00 C ATOM 732 CE LYS A 45 -6.230 16.040 -16.339 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.050 16.710 -17.657 1.00 0.00 N ATOM 0 H LYS A 45 -3.667 13.026 -12.621 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.879 12.570 -14.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.237 14.023 -14.944 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.590 13.967 -16.057 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.858 15.005 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.236 15.580 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.277 17.288 -14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.163 16.476 -15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.302 14.962 -16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.170 16.364 -15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.852 16.477 -18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.006 17.740 -17.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.166 16.382 -18.096 1.00 0.00 H new ATOM 747 N ASP A 46 -2.851 11.267 -14.504 1.00 0.00 N ATOM 748 CA ASP A 46 -2.048 10.156 -15.001 1.00 0.00 C ATOM 749 C ASP A 46 -1.834 9.110 -13.912 1.00 0.00 C ATOM 750 O ASP A 46 -0.791 9.082 -13.259 1.00 0.00 O ATOM 751 CB ASP A 46 -0.698 10.663 -15.511 1.00 0.00 C ATOM 752 CG ASP A 46 -0.787 11.236 -16.912 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.885 11.688 -17.300 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.241 11.234 -17.620 1.00 0.00 O ATOM 0 H ASP A 46 -2.389 11.838 -13.797 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.588 9.690 -15.826 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.320 11.428 -14.832 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.022 9.844 -15.501 1.00 0.00 H new ATOM 759 N LYS A 47 -2.829 8.250 -13.721 1.00 0.00 N ATOM 760 CA LYS A 47 -2.751 7.201 -12.711 1.00 0.00 C ATOM 761 C LYS A 47 -1.573 6.270 -12.983 1.00 0.00 C ATOM 762 O LYS A 47 -1.363 5.832 -14.115 1.00 0.00 O ATOM 763 CB LYS A 47 -4.053 6.397 -12.679 1.00 0.00 C ATOM 764 CG LYS A 47 -4.051 5.277 -11.653 1.00 0.00 C ATOM 765 CD LYS A 47 -5.454 4.753 -11.398 1.00 0.00 C ATOM 766 CE LYS A 47 -5.959 3.920 -12.566 1.00 0.00 C ATOM 767 NZ LYS A 47 -6.675 4.752 -13.572 1.00 0.00 N ATOM 0 H LYS A 47 -3.699 8.259 -14.253 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.600 7.676 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.882 7.072 -12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.233 5.973 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.415 4.463 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.621 5.639 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.459 4.149 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.131 5.590 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.118 3.417 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.627 3.143 -12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.607 4.334 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.799 5.715 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.120 4.789 -14.451 1.00 0.00 H new ATOM 781 N LYS A 48 -0.808 5.971 -11.939 1.00 0.00 N ATOM 782 CA LYS A 48 0.347 5.090 -12.064 1.00 0.00 C ATOM 783 C LYS A 48 -0.080 3.626 -12.038 1.00 0.00 C ATOM 784 O LYS A 48 0.451 2.801 -12.780 1.00 0.00 O ATOM 785 CB LYS A 48 1.346 5.362 -10.937 1.00 0.00 C ATOM 786 CG LYS A 48 1.906 6.773 -10.948 1.00 0.00 C ATOM 787 CD LYS A 48 3.199 6.855 -11.741 1.00 0.00 C ATOM 788 CE LYS A 48 2.930 7.007 -13.231 1.00 0.00 C ATOM 789 NZ LYS A 48 2.881 5.690 -13.923 1.00 0.00 N ATOM 0 H LYS A 48 -0.967 6.326 -10.996 1.00 0.00 H new ATOM 0 HA LYS A 48 0.826 5.293 -13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.858 5.181 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.170 4.653 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.171 7.453 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.085 7.102 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.790 7.700 -11.389 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.792 5.957 -11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.985 7.530 -13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.709 7.624 -13.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.777 5.529 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.737 4.935 -13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.095 5.685 -14.604 1.00 0.00 H new ATOM 803 N GLY A 49 -1.044 3.311 -11.178 1.00 0.00 N ATOM 804 CA GLY A 49 -1.526 1.946 -11.072 1.00 0.00 C ATOM 805 C GLY A 49 -2.586 1.787 -10.000 1.00 0.00 C ATOM 806 O GLY A 49 -2.966 2.758 -9.345 1.00 0.00 O ATOM 0 H GLY A 49 -1.499 3.976 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.935 1.633 -12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.688 1.284 -10.851 1.00 0.00 H new ATOM 810 N ASP A 50 -3.066 0.561 -9.822 1.00 0.00 N ATOM 811 CA ASP A 50 -4.090 0.279 -8.823 1.00 0.00 C ATOM 812 C ASP A 50 -3.711 -0.939 -7.986 1.00 0.00 C ATOM 813 O ASP A 50 -2.981 -1.817 -8.446 1.00 0.00 O ATOM 814 CB ASP A 50 -5.443 0.048 -9.498 1.00 0.00 C ATOM 815 CG ASP A 50 -5.879 1.232 -10.339 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.001 2.002 -10.780 1.00 0.00 O ATOM 817 OD2 ASP A 50 -7.099 1.389 -10.555 1.00 0.00 O ATOM 0 H ASP A 50 -2.762 -0.253 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.166 1.143 -8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.385 -0.840 -10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.197 -0.150 -8.736 1.00 0.00 H new ATOM 822 N ILE A 51 -4.211 -0.984 -6.756 1.00 0.00 N ATOM 823 CA ILE A 51 -3.924 -2.094 -5.856 1.00 0.00 C ATOM 824 C ILE A 51 -5.209 -2.685 -5.286 1.00 0.00 C ATOM 825 O ILE A 51 -5.756 -2.181 -4.304 1.00 0.00 O ATOM 826 CB ILE A 51 -3.014 -1.656 -4.693 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.699 -1.091 -5.232 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.750 -2.826 -3.757 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.944 -0.252 -4.225 1.00 0.00 C ATOM 0 H ILE A 51 -4.817 -0.265 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.407 -2.852 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.521 -0.873 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.064 -1.916 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.908 -0.485 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.106 -2.500 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.695 -3.188 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.260 -3.629 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.022 0.116 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.561 0.593 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.704 -0.859 -3.352 1.00 0.00 H new ATOM 841 N LEU A 52 -5.686 -3.759 -5.906 1.00 0.00 N ATOM 842 CA LEU A 52 -6.907 -4.422 -5.460 1.00 0.00 C ATOM 843 C LEU A 52 -6.796 -4.839 -3.997 1.00 0.00 C ATOM 844 O LEU A 52 -6.103 -5.803 -3.666 1.00 0.00 O ATOM 845 CB LEU A 52 -7.194 -5.645 -6.331 1.00 0.00 C ATOM 846 CG LEU A 52 -7.122 -5.425 -7.842 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.367 -6.730 -8.584 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.127 -4.367 -8.276 1.00 0.00 C ATOM 0 H LEU A 52 -5.246 -4.189 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.731 -3.715 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.486 -6.430 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.189 -6.016 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.121 -5.071 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.312 -6.554 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.610 -7.460 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.355 -7.113 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.061 -4.224 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.134 -4.692 -8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.906 -3.427 -7.771 1.00 0.00 H new ATOM 860 N LEU A 53 -7.484 -4.111 -3.125 1.00 0.00 N ATOM 861 CA LEU A 53 -7.465 -4.407 -1.697 1.00 0.00 C ATOM 862 C LEU A 53 -8.196 -5.713 -1.401 1.00 0.00 C ATOM 863 O LEU A 53 -9.244 -5.994 -1.983 1.00 0.00 O ATOM 864 CB LEU A 53 -8.105 -3.262 -0.910 1.00 0.00 C ATOM 865 CG LEU A 53 -7.219 -2.040 -0.664 1.00 0.00 C ATOM 866 CD1 LEU A 53 -8.022 -0.919 -0.022 1.00 0.00 C ATOM 867 CD2 LEU A 53 -6.028 -2.411 0.207 1.00 0.00 C ATOM 0 H LEU A 53 -8.062 -3.311 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.425 -4.516 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.999 -2.937 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.432 -3.649 0.055 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.845 -1.687 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.375 -0.058 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.841 -0.634 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.426 -1.260 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.409 -1.529 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.382 -2.790 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.438 -3.180 -0.291 1.00 0.00 H new ATOM 879 N ASP A 54 -7.638 -6.505 -0.493 1.00 0.00 N ATOM 880 CA ASP A 54 -8.238 -7.780 -0.118 1.00 0.00 C ATOM 881 C ASP A 54 -7.687 -8.267 1.218 1.00 0.00 C ATOM 882 O ASP A 54 -6.510 -8.075 1.522 1.00 0.00 O ATOM 883 CB ASP A 54 -7.983 -8.827 -1.202 1.00 0.00 C ATOM 884 CG ASP A 54 -8.613 -8.452 -2.529 1.00 0.00 C ATOM 885 OD1 ASP A 54 -9.843 -8.242 -2.564 1.00 0.00 O ATOM 886 OD2 ASP A 54 -7.875 -8.368 -3.533 1.00 0.00 O ATOM 0 H ASP A 54 -6.771 -6.287 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.313 -7.631 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.909 -8.953 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.378 -9.789 -0.874 1.00 0.00 H new ATOM 891 N GLU A 55 -8.546 -8.899 2.013 1.00 0.00 N ATOM 892 CA GLU A 55 -8.144 -9.412 3.317 1.00 0.00 C ATOM 893 C GLU A 55 -6.702 -9.908 3.286 1.00 0.00 C ATOM 894 O GLU A 55 -5.952 -9.730 4.244 1.00 0.00 O ATOM 895 CB GLU A 55 -9.076 -10.545 3.753 1.00 0.00 C ATOM 896 CG GLU A 55 -9.219 -11.647 2.717 1.00 0.00 C ATOM 897 CD GLU A 55 -9.989 -11.198 1.490 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.129 -10.714 1.650 1.00 0.00 O ATOM 899 OE2 GLU A 55 -9.452 -11.331 0.371 1.00 0.00 O ATOM 0 H GLU A 55 -9.524 -9.068 1.776 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.213 -8.597 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.700 -10.976 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.061 -10.131 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.229 -11.988 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.726 -12.500 3.167 1.00 0.00 H new ATOM 906 N ASN A 56 -6.321 -10.533 2.176 1.00 0.00 N ATOM 907 CA ASN A 56 -4.969 -11.057 2.018 1.00 0.00 C ATOM 908 C ASN A 56 -3.936 -9.940 2.137 1.00 0.00 C ATOM 909 O ASN A 56 -3.007 -10.022 2.940 1.00 0.00 O ATOM 910 CB ASN A 56 -4.826 -11.759 0.667 1.00 0.00 C ATOM 911 CG ASN A 56 -5.974 -12.708 0.383 1.00 0.00 C ATOM 912 OD1 ASN A 56 -7.062 -12.284 -0.009 1.00 0.00 O ATOM 913 ND2 ASN A 56 -5.737 -13.999 0.581 1.00 0.00 N ATOM 0 H ASN A 56 -6.930 -10.689 1.373 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.790 -11.779 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.773 -11.011 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.887 -12.313 0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.472 -14.685 0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.820 -14.305 0.907 1.00 0.00 H new ATOM 920 N CYS A 57 -4.105 -8.898 1.331 1.00 0.00 N ATOM 921 CA CYS A 57 -3.189 -7.764 1.344 1.00 0.00 C ATOM 922 C CYS A 57 -3.181 -7.087 2.712 1.00 0.00 C ATOM 923 O CYS A 57 -4.206 -7.025 3.391 1.00 0.00 O ATOM 924 CB CYS A 57 -3.581 -6.752 0.265 1.00 0.00 C ATOM 925 SG CYS A 57 -3.266 -7.322 -1.437 1.00 0.00 S ATOM 0 H CYS A 57 -4.869 -8.815 0.660 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.186 -8.137 1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.641 -6.518 0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.032 -5.825 0.434 1.00 0.00 H new ATOM 930 N CYS A 58 -2.018 -6.581 3.108 1.00 0.00 N ATOM 931 CA CYS A 58 -1.875 -5.909 4.394 1.00 0.00 C ATOM 932 C CYS A 58 -0.644 -5.009 4.404 1.00 0.00 C ATOM 933 O CYS A 58 0.258 -5.164 3.581 1.00 0.00 O ATOM 934 CB CYS A 58 -1.778 -6.938 5.522 1.00 0.00 C ATOM 935 SG CYS A 58 -3.378 -7.462 6.182 1.00 0.00 S ATOM 0 H CYS A 58 -1.161 -6.624 2.557 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.757 -5.289 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.244 -7.814 5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.183 -6.518 6.333 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.264 -7.452 5.231 1.00 0.00 H new ATOM 941 N VAL A 59 -0.615 -4.065 5.339 1.00 0.00 N ATOM 942 CA VAL A 59 0.504 -3.138 5.455 1.00 0.00 C ATOM 943 C VAL A 59 1.345 -3.443 6.690 1.00 0.00 C ATOM 944 O VAL A 59 0.827 -3.905 7.706 1.00 0.00 O ATOM 945 CB VAL A 59 0.019 -1.678 5.526 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.926 -1.485 6.702 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.204 -0.728 5.623 1.00 0.00 C ATOM 0 H VAL A 59 -1.354 -3.922 6.027 1.00 0.00 H new ATOM 0 HA VAL A 59 1.115 -3.267 4.562 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.527 -1.450 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.258 -0.447 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.790 -2.139 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.408 -1.730 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.844 0.299 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.779 -0.954 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.839 -0.848 4.745 1.00 0.00 H new ATOM 957 N GLU A 60 2.645 -3.181 6.594 1.00 0.00 N ATOM 958 CA GLU A 60 3.557 -3.429 7.705 1.00 0.00 C ATOM 959 C GLU A 60 4.550 -2.281 7.860 1.00 0.00 C ATOM 960 O GLU A 60 4.579 -1.357 7.046 1.00 0.00 O ATOM 961 CB GLU A 60 4.310 -4.744 7.491 1.00 0.00 C ATOM 962 CG GLU A 60 3.431 -5.873 6.980 1.00 0.00 C ATOM 963 CD GLU A 60 3.909 -7.237 7.438 1.00 0.00 C ATOM 964 OE1 GLU A 60 4.781 -7.292 8.330 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.409 -8.250 6.905 1.00 0.00 O ATOM 0 H GLU A 60 3.090 -2.798 5.760 1.00 0.00 H new ATOM 0 HA GLU A 60 2.966 -3.501 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.121 -4.577 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.767 -5.048 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.408 -5.716 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.409 -5.847 5.891 1.00 0.00 H new ATOM 972 N SER A 61 5.361 -2.345 8.911 1.00 0.00 N ATOM 973 CA SER A 61 6.352 -1.309 9.176 1.00 0.00 C ATOM 974 C SER A 61 7.767 -1.853 9.000 1.00 0.00 C ATOM 975 O SER A 61 8.124 -2.884 9.572 1.00 0.00 O ATOM 976 CB SER A 61 6.178 -0.758 10.593 1.00 0.00 C ATOM 977 OG SER A 61 7.150 0.233 10.877 1.00 0.00 O ATOM 0 H SER A 61 5.351 -3.104 9.593 1.00 0.00 H new ATOM 0 HA SER A 61 6.199 -0.503 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.180 -0.334 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.260 -1.570 11.315 1.00 0.00 H new ATOM 0 HG SER A 61 7.017 0.571 11.787 1.00 0.00 H new ATOM 983 N LEU A 62 8.568 -1.153 8.205 1.00 0.00 N ATOM 984 CA LEU A 62 9.945 -1.564 7.952 1.00 0.00 C ATOM 985 C LEU A 62 10.920 -0.746 8.792 1.00 0.00 C ATOM 986 O LEU A 62 10.690 0.427 9.089 1.00 0.00 O ATOM 987 CB LEU A 62 10.279 -1.411 6.467 1.00 0.00 C ATOM 988 CG LEU A 62 9.522 -2.332 5.510 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.786 -1.935 4.066 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.912 -3.783 5.746 1.00 0.00 C ATOM 0 H LEU A 62 8.288 -0.298 7.724 1.00 0.00 H new ATOM 0 HA LEU A 62 10.043 -2.612 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.084 -0.379 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.347 -1.583 6.336 1.00 0.00 H new ATOM 0 HG LEU A 62 8.455 -2.228 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.239 -2.602 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.455 -0.909 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.853 -2.009 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.363 -4.424 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.983 -3.904 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.670 -4.063 6.771 1.00 0.00 H new ATOM 1002 N PRO A 63 12.038 -1.376 9.183 1.00 0.00 N ATOM 1003 CA PRO A 63 13.072 -0.724 9.992 1.00 0.00 C ATOM 1004 C PRO A 63 13.831 0.344 9.211 1.00 0.00 C ATOM 1005 O PRO A 63 13.395 0.771 8.142 1.00 0.00 O ATOM 1006 CB PRO A 63 14.007 -1.877 10.367 1.00 0.00 C ATOM 1007 CG PRO A 63 13.816 -2.887 9.289 1.00 0.00 C ATOM 1008 CD PRO A 63 12.378 -2.773 8.866 1.00 0.00 C ATOM 0 HA PRO A 63 12.650 -0.202 10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.044 -1.545 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.755 -2.289 11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.486 -2.695 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.038 -3.891 9.651 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.254 -2.986 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.743 -3.474 9.408 1.00 0.00 H new ATOM 1016 N ASP A 64 14.967 0.771 9.752 1.00 0.00 N ATOM 1017 CA ASP A 64 15.787 1.788 9.105 1.00 0.00 C ATOM 1018 C ASP A 64 16.548 1.201 7.921 1.00 0.00 C ATOM 1019 O ASP A 64 17.520 0.466 8.096 1.00 0.00 O ATOM 1020 CB ASP A 64 16.769 2.395 10.108 1.00 0.00 C ATOM 1021 CG ASP A 64 17.400 1.350 11.006 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.823 0.298 10.485 1.00 0.00 O ATOM 1023 OD2 ASP A 64 17.468 1.583 12.232 1.00 0.00 O ATOM 0 H ASP A 64 15.341 0.428 10.637 1.00 0.00 H new ATOM 0 HA ASP A 64 15.126 2.572 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.553 2.927 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.249 3.131 10.721 1.00 0.00 H new ATOM 1028 N LYS A 65 16.099 1.529 6.714 1.00 0.00 N ATOM 1029 CA LYS A 65 16.736 1.035 5.499 1.00 0.00 C ATOM 1030 C LYS A 65 17.407 2.172 4.735 1.00 0.00 C ATOM 1031 O LYS A 65 16.893 3.290 4.691 1.00 0.00 O ATOM 1032 CB LYS A 65 15.707 0.342 4.604 1.00 0.00 C ATOM 1033 CG LYS A 65 16.065 0.374 3.128 1.00 0.00 C ATOM 1034 CD LYS A 65 14.929 -0.153 2.267 1.00 0.00 C ATOM 1035 CE LYS A 65 14.544 -1.571 2.659 1.00 0.00 C ATOM 1036 NZ LYS A 65 15.648 -2.537 2.403 1.00 0.00 N ATOM 0 H LYS A 65 15.295 2.136 6.551 1.00 0.00 H new ATOM 0 HA LYS A 65 17.501 0.314 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.602 -0.695 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.737 0.818 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.303 1.396 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.960 -0.224 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.063 0.501 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.226 -0.132 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.278 -1.596 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.659 -1.875 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.313 -3.504 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.954 -2.459 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.449 -2.323 3.031 1.00 0.00 H new ATOM 1050 N ASP A 66 18.555 1.879 4.135 1.00 0.00 N ATOM 1051 CA ASP A 66 19.295 2.877 3.371 1.00 0.00 C ATOM 1052 C ASP A 66 19.260 4.233 4.070 1.00 0.00 C ATOM 1053 O ASP A 66 19.234 5.277 3.420 1.00 0.00 O ATOM 1054 CB ASP A 66 18.716 3.002 1.961 1.00 0.00 C ATOM 1055 CG ASP A 66 19.364 2.043 0.982 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.814 0.963 1.418 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.422 2.373 -0.221 1.00 0.00 O ATOM 0 H ASP A 66 18.994 0.959 4.163 1.00 0.00 H new ATOM 0 HA ASP A 66 20.333 2.550 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.643 2.813 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.849 4.024 1.606 1.00 0.00 H new ATOM 1062 N GLY A 67 19.260 4.207 5.399 1.00 0.00 N ATOM 1063 CA GLY A 67 19.227 5.440 6.165 1.00 0.00 C ATOM 1064 C GLY A 67 17.864 6.103 6.138 1.00 0.00 C ATOM 1065 O GLY A 67 17.683 7.144 5.505 1.00 0.00 O ATOM 0 H GLY A 67 19.282 3.355 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.505 5.230 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.971 6.130 5.769 1.00 0.00 H new ATOM 1069 N LYS A 68 16.901 5.499 6.826 1.00 0.00 N ATOM 1070 CA LYS A 68 15.546 6.036 6.879 1.00 0.00 C ATOM 1071 C LYS A 68 15.091 6.221 8.323 1.00 0.00 C ATOM 1072 O LYS A 68 15.817 5.894 9.261 1.00 0.00 O ATOM 1073 CB LYS A 68 14.578 5.108 6.142 1.00 0.00 C ATOM 1074 CG LYS A 68 14.531 5.344 4.643 1.00 0.00 C ATOM 1075 CD LYS A 68 13.631 6.517 4.291 1.00 0.00 C ATOM 1076 CE LYS A 68 13.838 6.967 2.853 1.00 0.00 C ATOM 1077 NZ LYS A 68 15.117 7.711 2.683 1.00 0.00 N ATOM 0 H LYS A 68 17.034 4.637 7.355 1.00 0.00 H new ATOM 0 HA LYS A 68 15.548 7.010 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.866 4.074 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.577 5.240 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.538 5.533 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.170 4.445 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.589 6.234 4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.834 7.348 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.834 6.097 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.006 7.601 2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.136 8.159 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.193 8.443 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.916 7.051 2.768 1.00 0.00 H new ATOM 1091 N LYS A 69 13.882 6.747 8.494 1.00 0.00 N ATOM 1092 CA LYS A 69 13.328 6.973 9.824 1.00 0.00 C ATOM 1093 C LYS A 69 11.913 6.412 9.926 1.00 0.00 C ATOM 1094 O LYS A 69 11.548 5.802 10.932 1.00 0.00 O ATOM 1095 CB LYS A 69 13.319 8.469 10.148 1.00 0.00 C ATOM 1096 CG LYS A 69 12.896 9.342 8.979 1.00 0.00 C ATOM 1097 CD LYS A 69 14.052 9.596 8.026 1.00 0.00 C ATOM 1098 CE LYS A 69 13.747 10.742 7.073 1.00 0.00 C ATOM 1099 NZ LYS A 69 13.016 10.276 5.862 1.00 0.00 N ATOM 0 H LYS A 69 13.268 7.024 7.728 1.00 0.00 H new ATOM 0 HA LYS A 69 13.959 6.455 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.645 8.647 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.316 8.768 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.079 8.861 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.516 10.293 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.952 9.826 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.259 8.691 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.152 11.495 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.678 11.222 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.827 11.086 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.595 9.576 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.116 9.840 6.146 1.00 0.00 H new ATOM 1113 N CYS A 70 11.122 6.620 8.879 1.00 0.00 N ATOM 1114 CA CYS A 70 9.747 6.134 8.851 1.00 0.00 C ATOM 1115 C CYS A 70 9.460 5.390 7.551 1.00 0.00 C ATOM 1116 O CYS A 70 9.138 6.002 6.531 1.00 0.00 O ATOM 1117 CB CYS A 70 8.769 7.298 9.013 1.00 0.00 C ATOM 1118 SG CYS A 70 8.868 8.127 10.617 1.00 0.00 S ATOM 0 H CYS A 70 11.409 7.122 8.039 1.00 0.00 H new ATOM 0 HA CYS A 70 9.616 5.441 9.682 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.957 8.029 8.226 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.754 6.928 8.869 1.00 0.00 H new ATOM 0 HG CYS A 70 8.545 9.379 10.479 1.00 0.00 H new ATOM 1124 N LEU A 71 9.580 4.068 7.593 1.00 0.00 N ATOM 1125 CA LEU A 71 9.335 3.239 6.417 1.00 0.00 C ATOM 1126 C LEU A 71 8.123 2.338 6.630 1.00 0.00 C ATOM 1127 O LEU A 71 7.686 2.124 7.760 1.00 0.00 O ATOM 1128 CB LEU A 71 10.568 2.390 6.102 1.00 0.00 C ATOM 1129 CG LEU A 71 11.732 3.120 5.431 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.027 2.345 5.618 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.446 3.335 3.952 1.00 0.00 C ATOM 0 H LEU A 71 9.845 3.546 8.428 1.00 0.00 H new ATOM 0 HA LEU A 71 9.131 3.898 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.929 1.950 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.262 1.566 5.457 1.00 0.00 H new ATOM 0 HG LEU A 71 11.845 4.096 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.844 2.880 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.240 2.244 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.926 1.355 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.285 3.856 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.306 2.370 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.542 3.933 3.839 1.00 0.00 H new ATOM 1143 N PHE A 72 7.586 1.811 5.535 1.00 0.00 N ATOM 1144 CA PHE A 72 6.424 0.931 5.601 1.00 0.00 C ATOM 1145 C PHE A 72 6.144 0.298 4.241 1.00 0.00 C ATOM 1146 O PHE A 72 6.117 0.983 3.218 1.00 0.00 O ATOM 1147 CB PHE A 72 5.196 1.708 6.077 1.00 0.00 C ATOM 1148 CG PHE A 72 4.592 2.584 5.016 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.685 2.066 4.106 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.932 3.924 4.930 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.127 2.870 3.129 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.377 4.732 3.955 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.475 4.204 3.053 1.00 0.00 C ATOM 0 H PHE A 72 7.936 1.977 4.592 1.00 0.00 H new ATOM 0 HA PHE A 72 6.641 0.136 6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.442 1.002 6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.475 2.325 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.411 1.023 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.638 4.342 5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.420 2.455 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.649 5.776 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.042 4.833 2.289 1.00 0.00 H new ATOM 1163 N LEU A 73 5.937 -1.015 4.238 1.00 0.00 N ATOM 1164 CA LEU A 73 5.659 -1.742 3.005 1.00 0.00 C ATOM 1165 C LEU A 73 4.348 -2.514 3.112 1.00 0.00 C ATOM 1166 O LEU A 73 3.905 -2.857 4.208 1.00 0.00 O ATOM 1167 CB LEU A 73 6.806 -2.704 2.687 1.00 0.00 C ATOM 1168 CG LEU A 73 6.561 -3.684 1.540 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.879 -4.116 0.917 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.779 -4.894 2.029 1.00 0.00 C ATOM 0 H LEU A 73 5.957 -1.597 5.075 1.00 0.00 H new ATOM 0 HA LEU A 73 5.567 -1.016 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.693 -2.115 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.033 -3.277 3.586 1.00 0.00 H new ATOM 0 HG LEU A 73 5.969 -3.179 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.685 -4.814 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.402 -3.242 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.496 -4.603 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.614 -5.581 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.344 -5.400 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.818 -4.569 2.428 1.00 0.00 H new ATOM 1182 N VAL A 74 3.732 -2.786 1.965 1.00 0.00 N ATOM 1183 CA VAL A 74 2.473 -3.520 1.929 1.00 0.00 C ATOM 1184 C VAL A 74 2.629 -4.843 1.187 1.00 0.00 C ATOM 1185 O VAL A 74 3.129 -4.881 0.063 1.00 0.00 O ATOM 1186 CB VAL A 74 1.360 -2.695 1.257 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.074 -3.502 1.170 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.133 -1.393 2.011 1.00 0.00 C ATOM 0 H VAL A 74 4.085 -2.509 1.049 1.00 0.00 H new ATOM 0 HA VAL A 74 2.193 -3.718 2.964 1.00 0.00 H new ATOM 0 HB VAL A 74 1.675 -2.451 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.700 -2.902 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.249 -4.403 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.250 -3.780 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.343 -0.822 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.840 -1.613 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.053 -0.809 2.014 1.00 0.00 H new ATOM 1198 N LYS A 75 2.197 -5.927 1.823 1.00 0.00 N ATOM 1199 CA LYS A 75 2.286 -7.253 1.223 1.00 0.00 C ATOM 1200 C LYS A 75 0.956 -7.656 0.593 1.00 0.00 C ATOM 1201 O LYS A 75 -0.106 -7.470 1.189 1.00 0.00 O ATOM 1202 CB LYS A 75 2.698 -8.284 2.275 1.00 0.00 C ATOM 1203 CG LYS A 75 4.148 -8.163 2.711 1.00 0.00 C ATOM 1204 CD LYS A 75 4.284 -7.319 3.967 1.00 0.00 C ATOM 1205 CE LYS A 75 5.471 -7.762 4.810 1.00 0.00 C ATOM 1206 NZ LYS A 75 6.725 -7.828 4.010 1.00 0.00 N ATOM 0 H LYS A 75 1.782 -5.913 2.754 1.00 0.00 H new ATOM 0 HA LYS A 75 3.043 -7.220 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.055 -8.176 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.530 -9.284 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.558 -9.156 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.735 -7.718 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.403 -6.271 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.370 -7.392 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.606 -7.069 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.264 -8.741 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.080 -8.806 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.532 -7.521 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.441 -7.204 4.434 1.00 0.00 H new ATOM 1220 N CYS A 76 1.022 -8.210 -0.613 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.177 -8.640 -1.323 1.00 0.00 C ATOM 1222 C CYS A 76 -0.017 -10.065 -1.844 1.00 0.00 C ATOM 1223 O CYS A 76 1.043 -10.675 -1.702 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.475 -7.691 -2.485 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.558 -6.294 -2.044 1.00 0.00 S ATOM 0 H CYS A 76 1.893 -8.372 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.012 -8.619 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.466 -7.300 -2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.940 -8.257 -3.292 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.077 -10.590 -2.449 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.056 -11.944 -2.992 1.00 0.00 C ATOM 1232 C PHE A 77 0.350 -12.326 -3.444 1.00 0.00 C ATOM 1233 O PHE A 77 1.039 -13.100 -2.778 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.031 -12.061 -4.165 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.418 -12.465 -3.755 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.648 -13.696 -3.161 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.492 -11.615 -3.962 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.923 -14.071 -2.782 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.769 -11.984 -3.585 1.00 0.00 C ATOM 1240 CZ PHE A 77 -5.985 -13.214 -2.995 1.00 0.00 C ATOM 0 H PHE A 77 -1.962 -10.099 -2.576 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.364 -12.630 -2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.079 -11.104 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.644 -12.790 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.821 -14.370 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.329 -10.652 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.089 -15.033 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.597 -11.311 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.983 -13.505 -2.701 1.00 0.00 H new ATOM 1250 N ASP A 78 0.769 -11.779 -4.579 1.00 0.00 N ATOM 1251 CA ASP A 78 2.093 -12.062 -5.121 1.00 0.00 C ATOM 1252 C ASP A 78 2.876 -10.772 -5.345 1.00 0.00 C ATOM 1253 O ASP A 78 4.107 -10.776 -5.374 1.00 0.00 O ATOM 1254 CB ASP A 78 1.975 -12.836 -6.436 1.00 0.00 C ATOM 1255 CG ASP A 78 3.327 -13.174 -7.032 1.00 0.00 C ATOM 1256 OD1 ASP A 78 4.283 -13.384 -6.255 1.00 0.00 O ATOM 1257 OD2 ASP A 78 3.430 -13.228 -8.275 1.00 0.00 O ATOM 0 H ASP A 78 0.211 -11.137 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 78 2.632 -12.672 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.417 -13.756 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.403 -12.246 -7.152 1.00 0.00 H new ATOM 1262 N LYS A 79 2.154 -9.668 -5.503 1.00 0.00 N ATOM 1263 CA LYS A 79 2.779 -8.369 -5.724 1.00 0.00 C ATOM 1264 C LYS A 79 3.106 -7.690 -4.397 1.00 0.00 C ATOM 1265 O LYS A 79 2.470 -7.957 -3.377 1.00 0.00 O ATOM 1266 CB LYS A 79 1.859 -7.472 -6.554 1.00 0.00 C ATOM 1267 CG LYS A 79 0.504 -7.228 -5.911 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.578 -7.011 -6.956 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.239 -8.322 -7.353 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.625 -8.113 -7.857 1.00 0.00 N ATOM 0 H LYS A 79 1.134 -9.647 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 79 3.709 -8.529 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.352 -6.514 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.710 -7.926 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.240 -8.079 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.561 -6.357 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.331 -6.326 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.145 -6.539 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.642 -8.811 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.262 -8.992 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.042 -9.030 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.201 -7.669 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.601 -7.494 -8.692 1.00 0.00 H new ATOM 1284 N THR A 80 4.102 -6.810 -4.418 1.00 0.00 N ATOM 1285 CA THR A 80 4.514 -6.093 -3.218 1.00 0.00 C ATOM 1286 C THR A 80 4.706 -4.608 -3.503 1.00 0.00 C ATOM 1287 O THR A 80 5.232 -4.230 -4.550 1.00 0.00 O ATOM 1288 CB THR A 80 5.822 -6.667 -2.642 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.763 -6.897 -3.697 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.561 -7.966 -1.896 1.00 0.00 C ATOM 0 H THR A 80 4.638 -6.577 -5.254 1.00 0.00 H new ATOM 0 HA THR A 80 3.717 -6.219 -2.485 1.00 0.00 H new ATOM 0 HB THR A 80 6.233 -5.941 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.592 -7.260 -3.322 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.500 -8.352 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.868 -7.781 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.128 -8.697 -2.579 1.00 0.00 H new ATOM 1298 N PHE A 81 4.276 -3.770 -2.566 1.00 0.00 N ATOM 1299 CA PHE A 81 4.400 -2.325 -2.717 1.00 0.00 C ATOM 1300 C PHE A 81 5.185 -1.722 -1.556 1.00 0.00 C ATOM 1301 O PHE A 81 4.760 -1.793 -0.403 1.00 0.00 O ATOM 1302 CB PHE A 81 3.016 -1.679 -2.802 1.00 0.00 C ATOM 1303 CG PHE A 81 2.310 -1.943 -4.101 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.767 -3.190 -4.369 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.189 -0.945 -5.055 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.116 -3.436 -5.563 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.539 -1.186 -6.251 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.003 -2.433 -6.505 1.00 0.00 C ATOM 0 H PHE A 81 3.838 -4.067 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 81 4.943 -2.127 -3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.401 -2.048 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.117 -0.602 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.854 -3.979 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.607 0.032 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.696 -4.412 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.450 -0.400 -6.986 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.496 -2.623 -7.439 1.00 0.00 H new ATOM 1318 N GLU A 82 6.333 -1.129 -1.869 1.00 0.00 N ATOM 1319 CA GLU A 82 7.178 -0.515 -0.852 1.00 0.00 C ATOM 1320 C GLU A 82 7.052 1.005 -0.885 1.00 0.00 C ATOM 1321 O GLU A 82 7.258 1.633 -1.924 1.00 0.00 O ATOM 1322 CB GLU A 82 8.638 -0.921 -1.057 1.00 0.00 C ATOM 1323 CG GLU A 82 9.471 -0.860 0.213 1.00 0.00 C ATOM 1324 CD GLU A 82 10.754 -1.662 0.108 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.698 -2.811 -0.378 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.814 -1.141 0.513 1.00 0.00 O ATOM 0 H GLU A 82 6.699 -1.061 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 82 6.844 -0.869 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.672 -1.935 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.086 -0.269 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.714 0.179 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.880 -1.234 1.049 1.00 0.00 H new ATOM 1333 N ILE A 83 6.711 1.590 0.259 1.00 0.00 N ATOM 1334 CA ILE A 83 6.558 3.036 0.361 1.00 0.00 C ATOM 1335 C ILE A 83 7.282 3.580 1.588 1.00 0.00 C ATOM 1336 O ILE A 83 7.487 2.865 2.568 1.00 0.00 O ATOM 1337 CB ILE A 83 5.074 3.441 0.433 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.293 2.804 -0.718 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.937 4.956 0.399 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.845 2.521 -0.382 1.00 0.00 C ATOM 0 H ILE A 83 6.536 1.085 1.128 1.00 0.00 H new ATOM 0 HA ILE A 83 7.000 3.465 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 83 4.658 3.079 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.334 3.465 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.780 1.872 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.883 5.227 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.465 5.388 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.365 5.339 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.353 2.070 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.795 1.836 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.342 3.453 -0.124 1.00 0.00 H new ATOM 1352 N SER A 84 7.666 4.851 1.527 1.00 0.00 N ATOM 1353 CA SER A 84 8.369 5.491 2.632 1.00 0.00 C ATOM 1354 C SER A 84 7.690 6.800 3.023 1.00 0.00 C ATOM 1355 O SER A 84 7.374 7.627 2.168 1.00 0.00 O ATOM 1356 CB SER A 84 9.828 5.754 2.253 1.00 0.00 C ATOM 1357 OG SER A 84 10.527 6.377 3.316 1.00 0.00 O ATOM 0 H SER A 84 7.502 5.458 0.724 1.00 0.00 H new ATOM 0 HA SER A 84 8.339 4.816 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.315 4.814 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.868 6.387 1.367 1.00 0.00 H new ATOM 0 HG SER A 84 10.870 7.245 3.018 1.00 0.00 H new ATOM 1363 N ALA A 85 7.468 6.981 4.320 1.00 0.00 N ATOM 1364 CA ALA A 85 6.828 8.189 4.826 1.00 0.00 C ATOM 1365 C ALA A 85 7.866 9.217 5.265 1.00 0.00 C ATOM 1366 O ALA A 85 9.033 8.885 5.471 1.00 0.00 O ATOM 1367 CB ALA A 85 5.897 7.850 5.980 1.00 0.00 C ATOM 0 H ALA A 85 7.722 6.306 5.041 1.00 0.00 H new ATOM 0 HA ALA A 85 6.241 8.626 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.426 8.762 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.128 7.158 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.468 7.387 6.784 1.00 0.00 H new ATOM 1373 N SER A 86 7.432 10.465 5.407 1.00 0.00 N ATOM 1374 CA SER A 86 8.325 11.543 5.817 1.00 0.00 C ATOM 1375 C SER A 86 8.265 11.751 7.328 1.00 0.00 C ATOM 1376 O SER A 86 9.288 11.712 8.012 1.00 0.00 O ATOM 1377 CB SER A 86 7.957 12.841 5.097 1.00 0.00 C ATOM 1378 OG SER A 86 9.079 13.699 4.988 1.00 0.00 O ATOM 0 H SER A 86 6.468 10.755 5.244 1.00 0.00 H new ATOM 0 HA SER A 86 9.343 11.262 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.572 12.613 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.159 13.348 5.639 1.00 0.00 H new ATOM 0 HG SER A 86 8.818 14.521 4.523 1.00 0.00 H new ATOM 1384 N ASP A 87 7.060 11.974 7.840 1.00 0.00 N ATOM 1385 CA ASP A 87 6.865 12.188 9.270 1.00 0.00 C ATOM 1386 C ASP A 87 6.176 10.987 9.910 1.00 0.00 C ATOM 1387 O ASP A 87 5.432 10.260 9.252 1.00 0.00 O ATOM 1388 CB ASP A 87 6.040 13.453 9.509 1.00 0.00 C ATOM 1389 CG ASP A 87 6.527 14.628 8.684 1.00 0.00 C ATOM 1390 OD1 ASP A 87 6.360 14.593 7.447 1.00 0.00 O ATOM 1391 OD2 ASP A 87 7.077 15.581 9.275 1.00 0.00 O ATOM 0 H ASP A 87 6.204 12.011 7.287 1.00 0.00 H new ATOM 0 HA ASP A 87 7.845 12.310 9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.996 13.253 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.080 13.714 10.566 1.00 0.00 H new ATOM 1396 N LYS A 88 6.429 10.784 11.199 1.00 0.00 N ATOM 1397 CA LYS A 88 5.834 9.671 11.930 1.00 0.00 C ATOM 1398 C LYS A 88 4.315 9.685 11.799 1.00 0.00 C ATOM 1399 O LYS A 88 3.692 8.650 11.563 1.00 0.00 O ATOM 1400 CB LYS A 88 6.230 9.735 13.407 1.00 0.00 C ATOM 1401 CG LYS A 88 7.654 9.280 13.674 1.00 0.00 C ATOM 1402 CD LYS A 88 7.827 8.802 15.106 1.00 0.00 C ATOM 1403 CE LYS A 88 7.527 7.316 15.237 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.448 6.890 16.662 1.00 0.00 N ATOM 0 H LYS A 88 7.042 11.376 11.759 1.00 0.00 H new ATOM 0 HA LYS A 88 6.210 8.743 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.112 10.759 13.762 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.545 9.115 13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.915 8.475 12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.342 10.102 13.478 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.847 8.999 15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.165 9.367 15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.585 7.090 14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.302 6.743 14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.242 5.872 16.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.355 7.082 17.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.691 7.419 17.141 1.00 0.00 H new ATOM 1418 N LYS A 89 3.723 10.865 11.951 1.00 0.00 N ATOM 1419 CA LYS A 89 2.276 11.016 11.848 1.00 0.00 C ATOM 1420 C LYS A 89 1.754 10.383 10.561 1.00 0.00 C ATOM 1421 O LYS A 89 0.799 9.606 10.582 1.00 0.00 O ATOM 1422 CB LYS A 89 1.892 12.496 11.893 1.00 0.00 C ATOM 1423 CG LYS A 89 0.513 12.749 12.476 1.00 0.00 C ATOM 1424 CD LYS A 89 0.416 14.132 13.098 1.00 0.00 C ATOM 1425 CE LYS A 89 0.016 15.179 12.070 1.00 0.00 C ATOM 1426 NZ LYS A 89 0.270 16.563 12.560 1.00 0.00 N ATOM 0 H LYS A 89 4.224 11.732 12.146 1.00 0.00 H new ATOM 0 HA LYS A 89 1.821 10.504 12.696 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.632 13.037 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.931 12.904 10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.238 12.648 11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.291 11.994 13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.314 14.118 13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.376 14.402 13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.572 15.013 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.041 15.067 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.016 17.247 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.280 16.731 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.283 16.678 12.765 1.00 0.00 H new ATOM 1440 N LYS A 90 2.388 10.719 9.443 1.00 0.00 N ATOM 1441 CA LYS A 90 1.990 10.183 8.147 1.00 0.00 C ATOM 1442 C LYS A 90 2.171 8.669 8.106 1.00 0.00 C ATOM 1443 O LYS A 90 1.232 7.928 7.812 1.00 0.00 O ATOM 1444 CB LYS A 90 2.807 10.835 7.029 1.00 0.00 C ATOM 1445 CG LYS A 90 2.465 12.297 6.799 1.00 0.00 C ATOM 1446 CD LYS A 90 2.697 12.703 5.353 1.00 0.00 C ATOM 1447 CE LYS A 90 2.875 14.207 5.219 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.517 14.577 3.927 1.00 0.00 N ATOM 0 H LYS A 90 3.180 11.361 9.408 1.00 0.00 H new ATOM 0 HA LYS A 90 0.934 10.410 7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.867 10.752 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.646 10.283 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.423 12.474 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.072 12.921 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.582 12.195 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.853 12.379 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.904 14.696 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.483 14.576 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.621 15.610 3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.455 14.131 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.925 14.248 3.138 1.00 0.00 H new ATOM 1462 N LYS A 91 3.383 8.214 8.405 1.00 0.00 N ATOM 1463 CA LYS A 91 3.687 6.788 8.405 1.00 0.00 C ATOM 1464 C LYS A 91 2.579 5.995 9.090 1.00 0.00 C ATOM 1465 O LYS A 91 1.899 5.188 8.457 1.00 0.00 O ATOM 1466 CB LYS A 91 5.022 6.531 9.108 1.00 0.00 C ATOM 1467 CG LYS A 91 5.454 5.075 9.080 1.00 0.00 C ATOM 1468 CD LYS A 91 4.851 4.291 10.234 1.00 0.00 C ATOM 1469 CE LYS A 91 5.720 3.103 10.615 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.835 3.498 11.519 1.00 0.00 N ATOM 0 H LYS A 91 4.171 8.813 8.651 1.00 0.00 H new ATOM 0 HA LYS A 91 3.759 6.457 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.794 7.139 8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.946 6.859 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.152 4.623 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.541 5.016 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.730 4.946 11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.856 3.942 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.106 2.347 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.128 2.648 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.404 2.660 11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.436 4.201 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.446 3.909 12.391 1.00 0.00 H new ATOM 1484 N GLN A 92 2.402 6.232 10.386 1.00 0.00 N ATOM 1485 CA GLN A 92 1.375 5.540 11.155 1.00 0.00 C ATOM 1486 C GLN A 92 -0.006 5.768 10.549 1.00 0.00 C ATOM 1487 O GLN A 92 -0.640 4.834 10.059 1.00 0.00 O ATOM 1488 CB GLN A 92 1.390 6.015 12.609 1.00 0.00 C ATOM 1489 CG GLN A 92 0.296 5.395 13.464 1.00 0.00 C ATOM 1490 CD GLN A 92 0.607 5.459 14.946 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.690 6.541 15.528 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.780 4.298 15.566 1.00 0.00 N ATOM 0 H GLN A 92 2.956 6.898 10.925 1.00 0.00 H new ATOM 0 HA GLN A 92 1.593 4.472 11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.360 5.781 13.049 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.284 7.100 12.629 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.646 5.909 13.272 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.157 4.355 13.171 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.702 3.425 15.045 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.991 4.279 16.564 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.465 7.015 10.586 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.771 7.364 10.040 1.00 0.00 C ATOM 1503 C GLU A 93 -2.061 6.569 8.770 1.00 0.00 C ATOM 1504 O GLU A 93 -3.158 6.041 8.593 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.841 8.864 9.743 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.936 9.727 10.989 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.361 9.885 11.482 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.200 10.404 10.717 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.637 9.490 12.635 1.00 0.00 O ATOM 0 H GLU A 93 0.048 7.800 10.988 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.526 7.113 10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.957 9.155 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.705 9.060 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.329 9.285 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.517 10.711 10.778 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.069 6.490 7.890 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.217 5.760 6.636 1.00 0.00 C ATOM 1518 C TRP A 94 -1.443 4.275 6.894 1.00 0.00 C ATOM 1519 O TRP A 94 -2.463 3.714 6.492 1.00 0.00 O ATOM 1520 CB TRP A 94 0.022 5.956 5.760 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.106 7.097 4.797 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.448 8.339 4.920 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.836 7.102 3.565 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.106 9.116 3.839 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.680 8.379 2.993 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.603 6.150 2.888 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.265 8.727 1.779 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.184 6.497 1.683 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -2.011 7.776 1.138 1.00 0.00 C ATOM 0 H TRP A 94 -0.154 6.922 8.021 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.089 6.155 6.114 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.888 6.126 6.400 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.213 5.039 5.202 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.064 8.663 5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.391 10.084 3.691 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.739 5.161 3.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.135 9.713 1.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.781 5.770 1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.476 8.016 0.193 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.487 3.643 7.567 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.584 2.223 7.879 1.00 0.00 C ATOM 1542 C ILE A 95 -1.923 1.893 8.529 1.00 0.00 C ATOM 1543 O ILE A 95 -2.581 0.922 8.157 1.00 0.00 O ATOM 1544 CB ILE A 95 0.553 1.773 8.816 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.911 1.978 8.141 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.367 0.316 9.213 1.00 0.00 C ATOM 1547 CD1 ILE A 95 3.056 1.317 8.875 1.00 0.00 C ATOM 0 H ILE A 95 0.363 4.092 7.906 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.499 1.686 6.934 1.00 0.00 H new ATOM 0 HB ILE A 95 0.522 2.382 9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.866 1.585 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.110 3.047 8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.178 0.013 9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.586 0.198 9.729 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.375 -0.308 8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.987 1.504 8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.128 1.727 9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.880 0.243 8.932 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.321 2.709 9.499 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.583 2.504 10.200 1.00 0.00 C ATOM 1561 C GLN A 96 -4.764 2.644 9.246 1.00 0.00 C ATOM 1562 O GLN A 96 -5.647 1.787 9.205 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.720 3.503 11.350 1.00 0.00 C ATOM 1564 CG GLN A 96 -2.902 3.135 12.577 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.257 3.973 13.789 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.641 5.136 13.663 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -3.130 3.386 14.973 1.00 0.00 N ATOM 0 H GLN A 96 -1.788 3.518 9.818 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.585 1.492 10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.413 4.489 11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.770 3.577 11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.058 2.082 12.810 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.842 3.258 12.353 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.808 2.420 15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.354 3.901 15.824 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.775 3.731 8.480 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.847 3.982 7.525 1.00 0.00 C ATOM 1578 C ALA A 97 -6.007 2.813 6.560 1.00 0.00 C ATOM 1579 O ALA A 97 -7.125 2.390 6.263 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.580 5.270 6.759 1.00 0.00 C ATOM 0 H ALA A 97 -4.053 4.451 8.503 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.778 4.089 8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.388 5.445 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.524 6.104 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.636 5.184 6.220 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.884 2.297 6.072 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.901 1.176 5.140 1.00 0.00 C ATOM 1588 C ILE A 98 -5.356 -0.106 5.829 1.00 0.00 C ATOM 1589 O ILE A 98 -6.268 -0.786 5.359 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.513 0.945 4.513 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.036 2.209 3.796 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.557 -0.232 3.550 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.547 2.228 3.531 1.00 0.00 C ATOM 0 H ILE A 98 -3.951 2.637 6.306 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.609 1.432 4.352 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.805 0.713 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.567 2.302 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.301 3.079 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.569 -0.383 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.858 -1.131 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.275 -0.026 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.280 3.153 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.008 2.167 4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.278 1.377 2.905 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.714 -0.429 6.948 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.054 -1.628 7.705 1.00 0.00 C ATOM 1607 C HIS A 99 -6.567 -1.782 7.828 1.00 0.00 C ATOM 1608 O HIS A 99 -7.138 -2.779 7.384 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.421 -1.577 9.095 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.159 -2.928 9.685 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -3.124 -3.180 10.560 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.806 -4.106 9.521 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.144 -4.454 10.909 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.156 -5.038 10.292 1.00 0.00 N ATOM 0 H HIS A 99 -3.956 0.123 7.350 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.661 -2.490 7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.482 -1.027 9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.077 -1.019 9.763 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.672 -4.280 8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.452 -4.936 11.583 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.413 -6.022 10.375 1.00 0.00 H new ATOM 1623 N SER A 100 -7.211 -0.790 8.434 1.00 0.00 N ATOM 1624 CA SER A 100 -8.657 -0.818 8.620 1.00 0.00 C ATOM 1625 C SER A 100 -9.373 -0.991 7.284 1.00 0.00 C ATOM 1626 O SER A 100 -10.292 -1.802 7.158 1.00 0.00 O ATOM 1627 CB SER A 100 -9.130 0.468 9.301 1.00 0.00 C ATOM 1628 OG SER A 100 -8.845 0.444 10.689 1.00 0.00 O ATOM 0 H SER A 100 -6.754 0.043 8.805 1.00 0.00 H new ATOM 0 HA SER A 100 -8.900 -1.669 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.642 1.327 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.202 0.591 9.149 1.00 0.00 H new ATOM 0 HG SER A 100 -9.155 1.277 11.101 1.00 0.00 H new ATOM 1634 N THR A 101 -8.946 -0.224 6.286 1.00 0.00 N ATOM 1635 CA THR A 101 -9.545 -0.290 4.959 1.00 0.00 C ATOM 1636 C THR A 101 -9.708 -1.735 4.502 1.00 0.00 C ATOM 1637 O THR A 101 -10.741 -2.106 3.944 1.00 0.00 O ATOM 1638 CB THR A 101 -8.700 0.473 3.922 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.571 1.845 4.310 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.332 0.388 2.541 1.00 0.00 C ATOM 0 H THR A 101 -8.186 0.451 6.372 1.00 0.00 H new ATOM 0 HA THR A 101 -10.526 0.179 5.031 1.00 0.00 H new ATOM 0 HB THR A 101 -7.713 0.013 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.696 1.986 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.717 0.934 1.825 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.402 -0.656 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.330 0.825 2.570 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.683 -2.546 4.741 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.714 -3.951 4.355 1.00 0.00 C ATOM 1650 C ILE A 102 -9.670 -4.743 5.239 1.00 0.00 C ATOM 1651 O ILE A 102 -10.403 -5.609 4.760 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.314 -4.587 4.432 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.333 -3.827 3.537 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.376 -6.054 4.032 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.887 -3.996 3.945 1.00 0.00 C ATOM 0 H ILE A 102 -7.820 -2.254 5.200 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.064 -3.987 3.323 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.960 -4.525 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.454 -4.167 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.585 -2.767 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.379 -6.490 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.046 -6.587 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.748 -6.137 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.249 -3.430 3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.751 -3.629 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.617 -5.051 3.901 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.660 -4.440 6.533 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.528 -5.122 7.486 1.00 0.00 C ATOM 1669 C HIS A 103 -11.965 -5.166 6.976 1.00 0.00 C ATOM 1670 O HIS A 103 -12.642 -6.190 7.082 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.478 -4.424 8.845 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.446 -4.982 9.842 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.794 -5.093 9.800 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -11.057 -5.509 11.056 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -13.192 -5.680 10.977 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -12.124 -5.921 11.717 1.00 0.00 N flip ATOM 0 H HIS A 103 -9.060 -3.726 6.946 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.169 -6.145 7.599 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.468 -4.503 9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.683 -3.363 8.707 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.039 -5.575 11.411 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.211 -5.907 11.252 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.124 -6.352 12.642 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.426 -4.049 6.424 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.784 -3.959 5.898 1.00 0.00 C ATOM 1687 C LEU A 104 -14.040 -5.048 4.862 1.00 0.00 C ATOM 1688 O LEU A 104 -15.145 -5.584 4.768 1.00 0.00 O ATOM 1689 CB LEU A 104 -14.021 -2.581 5.277 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.689 -1.379 6.162 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.849 -0.083 5.384 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.570 -1.371 7.403 1.00 0.00 C ATOM 0 H LEU A 104 -11.880 -3.193 6.329 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.478 -4.102 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.429 -2.509 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.069 -2.512 4.984 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.650 -1.462 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.609 0.761 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.175 -0.088 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.878 0.008 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.320 -0.509 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.617 -1.313 7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.405 -2.286 7.972 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.011 -5.372 4.086 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.123 -6.400 3.056 1.00 0.00 C ATOM 1706 C LEU A 105 -13.221 -7.788 3.681 1.00 0.00 C ATOM 1707 O LEU A 105 -13.950 -8.651 3.191 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.921 -6.336 2.112 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.935 -5.205 1.083 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.517 -4.842 0.671 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -12.761 -5.600 -0.132 1.00 0.00 C ATOM 0 H LEU A 105 -12.090 -4.938 4.150 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.034 -6.213 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.017 -6.242 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.852 -7.284 1.579 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.394 -4.329 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.546 -4.036 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.956 -4.516 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.031 -5.714 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.760 -4.783 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.331 -6.490 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.785 -5.810 0.177 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.484 -7.996 4.767 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.490 -9.277 5.462 1.00 0.00 C ATOM 1725 C LYS A 106 -13.911 -9.692 5.827 1.00 0.00 C ATOM 1726 O LYS A 106 -14.294 -10.850 5.656 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.629 -9.199 6.725 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.140 -9.106 6.442 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.351 -8.796 7.703 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.933 -8.353 7.379 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.852 -6.885 7.137 1.00 0.00 N ATOM 0 H LYS A 106 -11.875 -7.293 5.185 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.073 -10.028 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.934 -8.331 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.819 -10.079 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.791 -10.046 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.958 -8.331 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.858 -8.013 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.320 -9.680 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.271 -8.622 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.578 -8.887 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.903 -6.643 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.562 -6.610 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.035 -6.376 8.025 1.00 0.00 H new ATOM 1745 N LEU A 107 -14.690 -8.740 6.330 1.00 0.00 N ATOM 1746 CA LEU A 107 -16.071 -9.006 6.717 1.00 0.00 C ATOM 1747 C LEU A 107 -16.797 -9.798 5.635 1.00 0.00 C ATOM 1748 O LEU A 107 -17.397 -10.837 5.908 1.00 0.00 O ATOM 1749 CB LEU A 107 -16.808 -7.693 6.987 1.00 0.00 C ATOM 1750 CG LEU A 107 -16.733 -7.163 8.419 1.00 0.00 C ATOM 1751 CD1 LEU A 107 -17.256 -8.201 9.400 1.00 0.00 C ATOM 1752 CD2 LEU A 107 -15.306 -6.768 8.768 1.00 0.00 C ATOM 0 H LEU A 107 -14.388 -7.777 6.479 1.00 0.00 H new ATOM 0 HA LEU A 107 -16.058 -9.602 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.408 -6.931 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.857 -7.828 6.726 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.362 -6.276 8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.195 -7.806 10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.294 -8.435 9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.654 -9.107 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.272 -6.393 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.655 -7.638 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.967 -5.989 8.085 1.00 0.00 H new ATOM 1764 N GLY A 108 -16.738 -9.300 4.404 1.00 0.00 N ATOM 1765 CA GLY A 108 -17.392 -9.974 3.298 1.00 0.00 C ATOM 1766 C GLY A 108 -16.421 -10.762 2.442 1.00 0.00 C ATOM 1767 O GLY A 108 -15.589 -10.184 1.742 1.00 0.00 O ATOM 0 H GLY A 108 -16.249 -8.441 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -18.156 -10.647 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.902 -9.237 2.678 1.00 0.00 H new ATOM 1771 N SER A 109 -16.524 -12.086 2.498 1.00 0.00 N ATOM 1772 CA SER A 109 -15.643 -12.955 1.727 1.00 0.00 C ATOM 1773 C SER A 109 -16.251 -14.346 1.573 1.00 0.00 C ATOM 1774 O SER A 109 -16.720 -14.941 2.543 1.00 0.00 O ATOM 1775 CB SER A 109 -14.273 -13.056 2.400 1.00 0.00 C ATOM 1776 OG SER A 109 -13.700 -11.773 2.585 1.00 0.00 O ATOM 0 H SER A 109 -17.209 -12.580 3.070 1.00 0.00 H new ATOM 0 HA SER A 109 -15.521 -12.519 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.374 -13.555 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.609 -13.670 1.791 1.00 0.00 H new ATOM 0 HG SER A 109 -14.136 -11.131 1.987 1.00 0.00 H new ATOM 1782 N SER A 110 -16.238 -14.858 0.346 1.00 0.00 N ATOM 1783 CA SER A 110 -16.791 -16.177 0.063 1.00 0.00 C ATOM 1784 C SER A 110 -15.733 -17.089 -0.550 1.00 0.00 C ATOM 1785 O SER A 110 -15.061 -16.720 -1.513 1.00 0.00 O ATOM 1786 CB SER A 110 -17.989 -16.059 -0.881 1.00 0.00 C ATOM 1787 OG SER A 110 -18.686 -17.289 -0.976 1.00 0.00 O ATOM 0 H SER A 110 -15.851 -14.379 -0.467 1.00 0.00 H new ATOM 0 HA SER A 110 -17.122 -16.615 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.664 -15.282 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.648 -15.753 -1.870 1.00 0.00 H new ATOM 0 HG SER A 110 -19.448 -17.187 -1.584 1.00 0.00 H new ATOM 1793 N GLY A 111 -15.590 -18.284 0.016 1.00 0.00 N ATOM 1794 CA GLY A 111 -14.612 -19.231 -0.488 1.00 0.00 C ATOM 1795 C GLY A 111 -15.245 -20.531 -0.942 1.00 0.00 C ATOM 1796 O GLY A 111 -15.513 -20.736 -2.126 1.00 0.00 O ATOM 0 H GLY A 111 -16.134 -18.613 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -14.073 -18.782 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.878 -19.440 0.291 1.00 0.00 H new ATOM 1800 N PRO A 112 -15.493 -21.439 0.014 1.00 0.00 N ATOM 1801 CA PRO A 112 -16.101 -22.743 -0.271 1.00 0.00 C ATOM 1802 C PRO A 112 -17.566 -22.624 -0.675 1.00 0.00 C ATOM 1803 O PRO A 112 -18.350 -21.946 -0.010 1.00 0.00 O ATOM 1804 CB PRO A 112 -15.971 -23.492 1.058 1.00 0.00 C ATOM 1805 CG PRO A 112 -15.909 -22.421 2.092 1.00 0.00 C ATOM 1806 CD PRO A 112 -15.200 -21.263 1.446 1.00 0.00 C ATOM 0 HA PRO A 112 -15.616 -23.245 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -16.821 -24.154 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -15.075 -24.113 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -16.909 -22.134 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -15.372 -22.763 2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -15.570 -20.307 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -14.128 -21.288 1.643 1.00 0.00 H new ATOM 1814 N SER A 113 -17.930 -23.286 -1.768 1.00 0.00 N ATOM 1815 CA SER A 113 -19.301 -23.252 -2.263 1.00 0.00 C ATOM 1816 C SER A 113 -20.293 -23.494 -1.130 1.00 0.00 C ATOM 1817 O SER A 113 -20.252 -24.528 -0.464 1.00 0.00 O ATOM 1818 CB SER A 113 -19.497 -24.300 -3.360 1.00 0.00 C ATOM 1819 OG SER A 113 -18.571 -24.111 -4.417 1.00 0.00 O ATOM 0 H SER A 113 -17.294 -23.853 -2.328 1.00 0.00 H new ATOM 0 HA SER A 113 -19.486 -22.262 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.375 -25.298 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.514 -24.239 -3.748 1.00 0.00 H new ATOM 0 HG SER A 113 -18.716 -24.794 -5.105 1.00 0.00 H new ATOM 1825 N SER A 114 -21.185 -22.532 -0.917 1.00 0.00 N ATOM 1826 CA SER A 114 -22.186 -22.637 0.138 1.00 0.00 C ATOM 1827 C SER A 114 -22.895 -23.987 0.081 1.00 0.00 C ATOM 1828 O SER A 114 -23.148 -24.611 1.111 1.00 0.00 O ATOM 1829 CB SER A 114 -23.209 -21.506 0.015 1.00 0.00 C ATOM 1830 OG SER A 114 -24.169 -21.571 1.055 1.00 0.00 O ATOM 0 H SER A 114 -21.235 -21.671 -1.461 1.00 0.00 H new ATOM 0 HA SER A 114 -21.676 -22.553 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 114 -22.698 -20.544 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 114 -23.710 -21.568 -0.951 1.00 0.00 H new ATOM 0 HG SER A 114 -24.810 -20.837 0.955 1.00 0.00 H new ATOM 1836 N GLY A 115 -23.212 -24.431 -1.131 1.00 0.00 N ATOM 1837 CA GLY A 115 -23.889 -25.704 -1.301 1.00 0.00 C ATOM 1838 C GLY A 115 -23.814 -26.215 -2.726 1.00 0.00 C ATOM 1839 O GLY A 115 -23.850 -25.432 -3.676 1.00 0.00 O ATOM 0 H GLY A 115 -23.012 -23.932 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -23.446 -26.440 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -24.934 -25.598 -1.011 1.00 0.00 H new TER 1843 GLY A 115