USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 70 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.5!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0962 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.473 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 170:sc= -0.919 USER MOD Single : A 16 THR OG1 : rot -117:sc= 0.156 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.000821 K(o=-0.00082,f=-2.3!) USER MOD Single : A 28 GLN : amide:sc= -9.53! C(o=-9.5!,f=-12!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -101:sc= -0.959 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.3!) USER MOD Single : A 48 SER OG : rot -130:sc= -0.692 USER MOD Single : A 49 GLN : amide:sc=-0.00885 X(o=-0.0088,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.334 K(o=-0.33,f=-0.88!) USER MOD Single : A 57 MET CE :methyl -171:sc= -2.37! (180deg=-2.63!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.94) USER MOD Single : A 75 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.97!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 103:sc= -0.582 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.35) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.9!) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.0589 (180deg=-0.438) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.434 -18.457 -29.064 1.00 0.00 N ATOM 2 CA GLY A 1 20.286 -17.194 -28.361 1.00 0.00 C ATOM 3 C GLY A 1 20.956 -17.250 -26.987 1.00 0.00 C ATOM 4 O GLY A 1 21.762 -18.139 -26.721 1.00 0.00 O ATOM 0 H1 GLY A 1 20.759 -18.278 -30.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.131 -19.050 -28.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.518 -18.949 -29.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.726 -16.391 -28.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.228 -16.960 -28.244 1.00 0.00 H new ATOM 8 N SER A 2 20.597 -16.287 -26.150 1.00 0.00 N ATOM 9 CA SER A 2 21.152 -16.215 -24.809 1.00 0.00 C ATOM 10 C SER A 2 20.436 -15.130 -24.003 1.00 0.00 C ATOM 11 O SER A 2 20.618 -13.941 -24.258 1.00 0.00 O ATOM 12 CB SER A 2 22.657 -15.939 -24.851 1.00 0.00 C ATOM 13 OG SER A 2 22.961 -14.748 -25.571 1.00 0.00 O ATOM 0 H SER A 2 19.928 -15.550 -26.375 1.00 0.00 H new ATOM 0 HA SER A 2 20.999 -17.179 -24.323 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.039 -15.855 -23.833 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.168 -16.783 -25.314 1.00 0.00 H new ATOM 0 HG SER A 2 22.281 -14.068 -25.381 1.00 0.00 H new ATOM 19 N GLU A 3 19.636 -15.579 -23.047 1.00 0.00 N ATOM 20 CA GLU A 3 18.891 -14.662 -22.202 1.00 0.00 C ATOM 21 C GLU A 3 19.555 -14.547 -20.828 1.00 0.00 C ATOM 22 O GLU A 3 20.563 -15.201 -20.566 1.00 0.00 O ATOM 23 CB GLU A 3 17.431 -15.100 -22.070 1.00 0.00 C ATOM 24 CG GLU A 3 16.488 -14.053 -22.667 1.00 0.00 C ATOM 25 CD GLU A 3 15.288 -14.718 -23.344 1.00 0.00 C ATOM 26 OE1 GLU A 3 15.530 -15.505 -24.284 1.00 0.00 O ATOM 27 OE2 GLU A 3 14.155 -14.425 -22.905 1.00 0.00 O ATOM 0 H GLU A 3 19.488 -16.566 -22.839 1.00 0.00 H new ATOM 0 HA GLU A 3 18.900 -13.678 -22.672 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.287 -16.055 -22.576 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.188 -15.256 -21.019 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.141 -13.381 -21.882 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.028 -13.444 -23.392 1.00 0.00 H new ATOM 34 N GLY A 4 18.963 -13.710 -19.988 1.00 0.00 N ATOM 35 CA GLY A 4 19.485 -13.502 -18.648 1.00 0.00 C ATOM 36 C GLY A 4 18.413 -12.915 -17.728 1.00 0.00 C ATOM 37 O GLY A 4 17.582 -12.120 -18.164 1.00 0.00 O ATOM 0 H GLY A 4 18.127 -13.168 -20.209 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.840 -14.449 -18.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.343 -12.831 -18.688 1.00 0.00 H new ATOM 41 N ALA A 5 18.466 -13.331 -16.471 1.00 0.00 N ATOM 42 CA ALA A 5 17.510 -12.857 -15.485 1.00 0.00 C ATOM 43 C ALA A 5 17.942 -13.326 -14.094 1.00 0.00 C ATOM 44 O ALA A 5 18.291 -14.491 -13.909 1.00 0.00 O ATOM 45 CB ALA A 5 16.109 -13.346 -15.856 1.00 0.00 C ATOM 0 H ALA A 5 19.156 -13.991 -16.113 1.00 0.00 H new ATOM 0 HA ALA A 5 17.482 -11.767 -15.471 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.392 -12.990 -15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.838 -12.961 -16.839 1.00 0.00 H new ATOM 0 HB3 ALA A 5 16.098 -14.436 -15.878 1.00 0.00 H new ATOM 51 N ALA A 6 17.906 -12.395 -13.153 1.00 0.00 N ATOM 52 CA ALA A 6 18.290 -12.699 -11.785 1.00 0.00 C ATOM 53 C ALA A 6 18.152 -11.438 -10.929 1.00 0.00 C ATOM 54 O ALA A 6 19.137 -10.750 -10.668 1.00 0.00 O ATOM 55 CB ALA A 6 19.712 -13.263 -11.766 1.00 0.00 C ATOM 0 H ALA A 6 17.617 -11.430 -13.310 1.00 0.00 H new ATOM 0 HA ALA A 6 17.633 -13.459 -11.362 1.00 0.00 H new ATOM 0 HB1 ALA A 6 19.999 -13.491 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 6 19.750 -14.173 -12.364 1.00 0.00 H new ATOM 0 HB3 ALA A 6 20.401 -12.527 -12.181 1.00 0.00 H new ATOM 61 N THR A 7 16.921 -11.174 -10.515 1.00 0.00 N ATOM 62 CA THR A 7 16.642 -10.008 -9.694 1.00 0.00 C ATOM 63 C THR A 7 15.528 -10.316 -8.691 1.00 0.00 C ATOM 64 O THR A 7 14.585 -11.038 -9.009 1.00 0.00 O ATOM 65 CB THR A 7 16.313 -8.840 -10.627 1.00 0.00 C ATOM 66 OG1 THR A 7 15.296 -9.355 -11.482 1.00 0.00 O ATOM 67 CG2 THR A 7 17.466 -8.508 -11.577 1.00 0.00 C ATOM 0 H THR A 7 16.106 -11.747 -10.733 1.00 0.00 H new ATOM 0 HA THR A 7 17.509 -9.730 -9.095 1.00 0.00 H new ATOM 0 HB THR A 7 16.066 -7.959 -10.034 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.022 -8.662 -12.119 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.181 -7.673 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.348 -8.237 -10.997 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.691 -9.378 -12.194 1.00 0.00 H new ATOM 75 N MET A 8 15.675 -9.753 -7.501 1.00 0.00 N ATOM 76 CA MET A 8 14.693 -9.959 -6.450 1.00 0.00 C ATOM 77 C MET A 8 13.701 -8.796 -6.391 1.00 0.00 C ATOM 78 O MET A 8 13.903 -7.770 -7.039 1.00 0.00 O ATOM 79 CB MET A 8 15.407 -10.089 -5.103 1.00 0.00 C ATOM 80 CG MET A 8 16.085 -8.775 -4.712 1.00 0.00 C ATOM 81 SD MET A 8 17.841 -8.879 -5.016 1.00 0.00 S ATOM 82 CE MET A 8 18.259 -7.143 -5.019 1.00 0.00 C ATOM 0 H MET A 8 16.459 -9.154 -7.241 1.00 0.00 H new ATOM 0 HA MET A 8 14.141 -10.873 -6.669 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.690 -10.375 -4.334 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.151 -10.884 -5.157 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.657 -7.951 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.902 -8.561 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.328 -7.026 -5.197 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.702 -6.636 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.002 -6.705 -4.054 1.00 0.00 H new ATOM 92 N SER A 9 12.650 -8.996 -5.609 1.00 0.00 N ATOM 93 CA SER A 9 11.626 -7.977 -5.458 1.00 0.00 C ATOM 94 C SER A 9 10.620 -8.401 -4.386 1.00 0.00 C ATOM 95 O SER A 9 10.312 -9.584 -4.253 1.00 0.00 O ATOM 96 CB SER A 9 10.909 -7.714 -6.784 1.00 0.00 C ATOM 97 OG SER A 9 10.284 -8.889 -7.295 1.00 0.00 O ATOM 0 H SER A 9 12.486 -9.849 -5.074 1.00 0.00 H new ATOM 0 HA SER A 9 12.110 -7.051 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.158 -6.936 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.625 -7.337 -7.515 1.00 0.00 H new ATOM 0 HG SER A 9 9.836 -8.680 -8.141 1.00 0.00 H new ATOM 103 N GLY A 10 10.135 -7.412 -3.649 1.00 0.00 N ATOM 104 CA GLY A 10 9.171 -7.668 -2.594 1.00 0.00 C ATOM 105 C GLY A 10 8.317 -6.429 -2.318 1.00 0.00 C ATOM 106 O GLY A 10 8.558 -5.707 -1.352 1.00 0.00 O ATOM 0 H GLY A 10 10.392 -6.432 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.528 -8.501 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.693 -7.964 -1.684 1.00 0.00 H new ATOM 110 N LEU A 11 7.337 -6.219 -3.185 1.00 0.00 N ATOM 111 CA LEU A 11 6.447 -5.080 -3.048 1.00 0.00 C ATOM 112 C LEU A 11 5.479 -5.331 -1.890 1.00 0.00 C ATOM 113 O LEU A 11 4.892 -6.407 -1.788 1.00 0.00 O ATOM 114 CB LEU A 11 5.750 -4.781 -4.377 1.00 0.00 C ATOM 115 CG LEU A 11 5.823 -3.331 -4.861 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.118 -2.390 -3.882 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.272 -2.911 -5.117 1.00 0.00 C ATOM 0 H LEU A 11 7.140 -6.820 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 11 7.014 -4.182 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.184 -5.422 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.700 -5.060 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 11 5.295 -3.261 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.185 -1.366 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.070 -2.676 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.596 -2.457 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.296 -1.877 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.845 -3.001 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.709 -3.556 -5.879 1.00 0.00 H new ATOM 129 N ARG A 12 5.343 -4.319 -1.045 1.00 0.00 N ATOM 130 CA ARG A 12 4.457 -4.417 0.103 1.00 0.00 C ATOM 131 C ARG A 12 3.590 -3.161 0.213 1.00 0.00 C ATOM 132 O ARG A 12 4.050 -2.058 -0.081 1.00 0.00 O ATOM 133 CB ARG A 12 5.251 -4.596 1.398 1.00 0.00 C ATOM 134 CG ARG A 12 6.064 -5.891 1.369 1.00 0.00 C ATOM 135 CD ARG A 12 6.026 -6.593 2.728 1.00 0.00 C ATOM 136 NE ARG A 12 7.403 -6.894 3.180 1.00 0.00 N ATOM 137 CZ ARG A 12 7.733 -7.171 4.449 1.00 0.00 C ATOM 138 NH1 ARG A 12 6.789 -7.186 5.399 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.008 -7.432 4.767 1.00 0.00 N ATOM 0 H ARG A 12 5.831 -3.428 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 12 3.821 -5.290 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.919 -3.746 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.569 -4.610 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.668 -6.556 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.097 -5.670 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.524 -5.960 3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.449 -7.515 2.655 1.00 0.00 H new ATOM 0 HE ARG A 12 8.147 -6.890 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.818 -6.987 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.041 -7.397 6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.727 -7.420 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.260 -7.643 5.733 1.00 0.00 H new ATOM 153 N VAL A 13 2.352 -3.369 0.636 1.00 0.00 N ATOM 154 CA VAL A 13 1.418 -2.267 0.788 1.00 0.00 C ATOM 155 C VAL A 13 0.954 -2.195 2.245 1.00 0.00 C ATOM 156 O VAL A 13 0.071 -2.945 2.657 1.00 0.00 O ATOM 157 CB VAL A 13 0.260 -2.422 -0.201 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.725 -1.258 -0.079 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.778 -2.555 -1.634 1.00 0.00 C ATOM 0 H VAL A 13 1.974 -4.285 0.878 1.00 0.00 H new ATOM 0 HA VAL A 13 1.904 -1.320 0.554 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.274 -3.339 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.538 -1.393 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.131 -1.229 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.209 -0.321 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.065 -2.664 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.347 -1.664 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.421 -3.432 -1.709 1.00 0.00 H new ATOM 169 N TYR A 14 1.571 -1.285 2.984 1.00 0.00 N ATOM 170 CA TYR A 14 1.233 -1.105 4.385 1.00 0.00 C ATOM 171 C TYR A 14 -0.112 -0.392 4.538 1.00 0.00 C ATOM 172 O TYR A 14 -0.187 0.830 4.420 1.00 0.00 O ATOM 173 CB TYR A 14 2.335 -0.222 4.975 1.00 0.00 C ATOM 174 CG TYR A 14 3.635 -0.968 5.278 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.374 -1.514 4.248 1.00 0.00 C ATOM 176 CD2 TYR A 14 4.071 -1.095 6.582 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.598 -2.217 4.533 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.295 -1.798 6.867 1.00 0.00 C ATOM 179 CZ TYR A 14 5.998 -2.324 5.829 1.00 0.00 C ATOM 180 OH TYR A 14 7.154 -2.988 6.098 1.00 0.00 O ATOM 0 H TYR A 14 2.303 -0.664 2.639 1.00 0.00 H new ATOM 0 HA TYR A 14 1.156 -2.069 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.548 0.589 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.967 0.234 5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.034 -1.414 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.494 -0.667 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.185 -2.649 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.647 -1.905 7.883 1.00 0.00 H new ATOM 0 HH TYR A 14 7.316 -2.985 7.065 1.00 0.00 H new ATOM 190 N SER A 15 -1.140 -1.186 4.797 1.00 0.00 N ATOM 191 CA SER A 15 -2.478 -0.646 4.967 1.00 0.00 C ATOM 192 C SER A 15 -2.956 -0.873 6.403 1.00 0.00 C ATOM 193 O SER A 15 -2.224 -1.422 7.225 1.00 0.00 O ATOM 194 CB SER A 15 -3.457 -1.278 3.975 1.00 0.00 C ATOM 195 OG SER A 15 -3.916 -2.553 4.417 1.00 0.00 O ATOM 0 H SER A 15 -1.073 -2.199 4.893 1.00 0.00 H new ATOM 0 HA SER A 15 -2.442 0.425 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.310 -0.614 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.972 -1.384 3.004 1.00 0.00 H new ATOM 0 HG SER A 15 -4.654 -2.851 3.846 1.00 0.00 H new ATOM 201 N THR A 16 -4.182 -0.439 6.660 1.00 0.00 N ATOM 202 CA THR A 16 -4.766 -0.588 7.982 1.00 0.00 C ATOM 203 C THR A 16 -6.248 -0.952 7.872 1.00 0.00 C ATOM 204 O THR A 16 -6.951 -0.448 6.998 1.00 0.00 O ATOM 205 CB THR A 16 -4.514 0.706 8.759 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.116 0.471 10.029 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.295 1.892 8.190 1.00 0.00 C ATOM 0 H THR A 16 -4.786 0.015 5.975 1.00 0.00 H new ATOM 0 HA THR A 16 -4.302 -1.408 8.529 1.00 0.00 H new ATOM 0 HB THR A 16 -3.448 0.934 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.852 1.104 10.164 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.080 2.785 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.999 2.059 7.154 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.363 1.678 8.232 1.00 0.00 H new ATOM 215 N SER A 17 -6.678 -1.825 8.772 1.00 0.00 N ATOM 216 CA SER A 17 -8.064 -2.262 8.787 1.00 0.00 C ATOM 217 C SER A 17 -8.898 -1.326 9.664 1.00 0.00 C ATOM 218 O SER A 17 -10.004 -0.941 9.289 1.00 0.00 O ATOM 219 CB SER A 17 -8.181 -3.703 9.287 1.00 0.00 C ATOM 220 OG SER A 17 -9.172 -4.437 8.574 1.00 0.00 O ATOM 0 H SER A 17 -6.091 -2.241 9.495 1.00 0.00 H new ATOM 0 HA SER A 17 -8.445 -2.228 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.217 -4.202 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.427 -3.699 10.349 1.00 0.00 H new ATOM 0 HG SER A 17 -9.215 -5.352 8.922 1.00 0.00 H new ATOM 226 N VAL A 18 -8.336 -0.988 10.815 1.00 0.00 N ATOM 227 CA VAL A 18 -9.015 -0.104 11.748 1.00 0.00 C ATOM 228 C VAL A 18 -8.554 1.335 11.508 1.00 0.00 C ATOM 229 O VAL A 18 -7.367 1.637 11.620 1.00 0.00 O ATOM 230 CB VAL A 18 -8.777 -0.577 13.183 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.252 0.471 14.191 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.452 -1.927 13.435 1.00 0.00 C ATOM 0 H VAL A 18 -7.418 -1.310 11.123 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.092 -0.131 11.585 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.704 -0.710 13.319 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.071 0.110 15.204 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.705 1.401 14.034 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.318 0.650 14.054 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.267 -2.240 14.463 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.526 -1.833 13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.045 -2.671 12.750 1.00 0.00 H new ATOM 242 N THR A 19 -9.517 2.184 11.182 1.00 0.00 N ATOM 243 CA THR A 19 -9.225 3.584 10.926 1.00 0.00 C ATOM 244 C THR A 19 -10.521 4.375 10.742 1.00 0.00 C ATOM 245 O THR A 19 -11.218 4.209 9.742 1.00 0.00 O ATOM 246 CB THR A 19 -8.291 3.659 9.716 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.309 5.035 9.348 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.861 2.938 8.492 1.00 0.00 C ATOM 0 H THR A 19 -10.500 1.929 11.089 1.00 0.00 H new ATOM 0 HA THR A 19 -8.719 4.043 11.775 1.00 0.00 H new ATOM 0 HB THR A 19 -7.325 3.226 9.976 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.163 5.117 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.160 3.021 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.019 1.886 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.811 3.393 8.212 1.00 0.00 H new ATOM 256 N GLY A 20 -10.807 5.218 11.724 1.00 0.00 N ATOM 257 CA GLY A 20 -12.008 6.035 11.683 1.00 0.00 C ATOM 258 C GLY A 20 -12.103 6.805 10.364 1.00 0.00 C ATOM 259 O GLY A 20 -13.199 7.061 9.868 1.00 0.00 O ATOM 0 H GLY A 20 -10.228 5.353 12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.887 5.402 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.004 6.736 12.518 1.00 0.00 H new ATOM 263 N SER A 21 -10.939 7.154 9.835 1.00 0.00 N ATOM 264 CA SER A 21 -10.877 7.890 8.583 1.00 0.00 C ATOM 265 C SER A 21 -11.244 6.970 7.417 1.00 0.00 C ATOM 266 O SER A 21 -11.114 5.751 7.518 1.00 0.00 O ATOM 267 CB SER A 21 -9.488 8.493 8.367 1.00 0.00 C ATOM 268 OG SER A 21 -9.551 9.883 8.062 1.00 0.00 O ATOM 0 H SER A 21 -10.032 6.941 10.250 1.00 0.00 H new ATOM 0 HA SER A 21 -11.595 8.709 8.631 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.885 8.346 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.986 7.966 7.555 1.00 0.00 H new ATOM 0 HG SER A 21 -8.644 10.231 7.933 1.00 0.00 H new ATOM 274 N ARG A 22 -11.695 7.590 6.336 1.00 0.00 N ATOM 275 CA ARG A 22 -12.081 6.842 5.151 1.00 0.00 C ATOM 276 C ARG A 22 -11.067 7.067 4.028 1.00 0.00 C ATOM 277 O ARG A 22 -10.655 6.119 3.360 1.00 0.00 O ATOM 278 CB ARG A 22 -13.471 7.259 4.666 1.00 0.00 C ATOM 279 CG ARG A 22 -14.262 6.049 4.164 1.00 0.00 C ATOM 280 CD ARG A 22 -15.753 6.205 4.470 1.00 0.00 C ATOM 281 NE ARG A 22 -16.479 6.622 3.249 1.00 0.00 N ATOM 282 CZ ARG A 22 -16.548 7.886 2.811 1.00 0.00 C ATOM 283 NH1 ARG A 22 -15.935 8.865 3.490 1.00 0.00 N ATOM 284 NH2 ARG A 22 -17.229 8.172 1.693 1.00 0.00 N ATOM 0 H ARG A 22 -11.802 8.601 6.256 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.104 5.785 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.014 7.741 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.376 7.993 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.117 5.935 3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.883 5.142 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.157 5.263 4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.896 6.944 5.258 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.957 5.902 2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.416 8.648 4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.988 9.827 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.695 7.427 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.281 9.135 1.360 1.00 0.00 H new ATOM 298 N GLU A 23 -10.694 8.326 3.853 1.00 0.00 N ATOM 299 CA GLU A 23 -9.736 8.687 2.822 1.00 0.00 C ATOM 300 C GLU A 23 -8.565 7.703 2.818 1.00 0.00 C ATOM 301 O GLU A 23 -8.042 7.359 1.759 1.00 0.00 O ATOM 302 CB GLU A 23 -9.245 10.124 3.008 1.00 0.00 C ATOM 303 CG GLU A 23 -10.376 11.126 2.764 1.00 0.00 C ATOM 304 CD GLU A 23 -10.669 11.940 4.025 1.00 0.00 C ATOM 305 OE1 GLU A 23 -9.952 12.943 4.232 1.00 0.00 O ATOM 306 OE2 GLU A 23 -11.603 11.542 4.754 1.00 0.00 O ATOM 0 H GLU A 23 -11.038 9.109 4.408 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.235 8.632 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.854 10.251 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.423 10.323 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.103 11.797 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.276 10.595 2.452 1.00 0.00 H new ATOM 313 N ILE A 24 -8.186 7.279 4.015 1.00 0.00 N ATOM 314 CA ILE A 24 -7.086 6.341 4.163 1.00 0.00 C ATOM 315 C ILE A 24 -7.437 5.032 3.453 1.00 0.00 C ATOM 316 O ILE A 24 -6.757 4.631 2.510 1.00 0.00 O ATOM 317 CB ILE A 24 -6.728 6.163 5.640 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.333 7.499 6.273 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.642 5.101 5.817 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.062 7.337 7.770 1.00 0.00 C ATOM 0 H ILE A 24 -8.621 7.568 4.891 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.187 6.731 3.686 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.614 5.807 6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.444 7.891 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.129 8.227 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.406 4.994 6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.998 4.148 5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.746 5.403 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.783 8.301 8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.961 6.968 8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.249 6.626 7.918 1.00 0.00 H new ATOM 332 N LYS A 25 -8.499 4.403 3.934 1.00 0.00 N ATOM 333 CA LYS A 25 -8.950 3.147 3.357 1.00 0.00 C ATOM 334 C LYS A 25 -8.988 3.276 1.833 1.00 0.00 C ATOM 335 O LYS A 25 -8.392 2.467 1.123 1.00 0.00 O ATOM 336 CB LYS A 25 -10.285 2.724 3.972 1.00 0.00 C ATOM 337 CG LYS A 25 -10.097 2.236 5.410 1.00 0.00 C ATOM 338 CD LYS A 25 -11.333 1.479 5.899 1.00 0.00 C ATOM 339 CE LYS A 25 -12.179 2.352 6.827 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.802 1.529 7.888 1.00 0.00 N ATOM 0 H LYS A 25 -9.060 4.739 4.716 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.249 2.346 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.979 3.565 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.731 1.932 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.223 1.587 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.905 3.087 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.932 1.163 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.026 0.575 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.556 3.125 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.953 2.861 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.373 2.137 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.412 0.807 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.059 1.063 8.447 1.00 0.00 H new ATOM 354 N SER A 26 -9.694 4.299 1.375 1.00 0.00 N ATOM 355 CA SER A 26 -9.818 4.543 -0.052 1.00 0.00 C ATOM 356 C SER A 26 -8.434 4.539 -0.706 1.00 0.00 C ATOM 357 O SER A 26 -8.213 3.842 -1.695 1.00 0.00 O ATOM 358 CB SER A 26 -10.529 5.870 -0.324 1.00 0.00 C ATOM 359 OG SER A 26 -11.734 5.688 -1.063 1.00 0.00 O ATOM 0 H SER A 26 -10.186 4.968 1.967 1.00 0.00 H new ATOM 0 HA SER A 26 -10.420 3.744 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.755 6.361 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.862 6.532 -0.876 1.00 0.00 H new ATOM 0 HG SER A 26 -12.159 6.558 -1.215 1.00 0.00 H new ATOM 365 N GLN A 27 -7.539 5.326 -0.126 1.00 0.00 N ATOM 366 CA GLN A 27 -6.183 5.422 -0.639 1.00 0.00 C ATOM 367 C GLN A 27 -5.580 4.026 -0.808 1.00 0.00 C ATOM 368 O GLN A 27 -4.895 3.756 -1.794 1.00 0.00 O ATOM 369 CB GLN A 27 -5.312 6.290 0.271 1.00 0.00 C ATOM 370 CG GLN A 27 -5.577 7.777 0.028 1.00 0.00 C ATOM 371 CD GLN A 27 -4.779 8.643 1.004 1.00 0.00 C ATOM 372 OE1 GLN A 27 -3.659 8.334 1.376 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.416 9.741 1.398 1.00 0.00 N ATOM 0 H GLN A 27 -7.727 5.903 0.694 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.218 5.902 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.514 6.047 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.260 6.070 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.308 8.035 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.641 7.983 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.353 9.940 1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.968 10.384 2.050 1.00 0.00 H new ATOM 382 N GLN A 28 -5.854 3.175 0.170 1.00 0.00 N ATOM 383 CA GLN A 28 -5.347 1.814 0.142 1.00 0.00 C ATOM 384 C GLN A 28 -5.981 1.034 -1.011 1.00 0.00 C ATOM 385 O GLN A 28 -5.278 0.408 -1.803 1.00 0.00 O ATOM 386 CB GLN A 28 -5.591 1.111 1.479 1.00 0.00 C ATOM 387 CG GLN A 28 -5.089 1.962 2.647 1.00 0.00 C ATOM 388 CD GLN A 28 -5.936 1.730 3.899 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.172 2.624 4.695 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.378 0.482 4.029 1.00 0.00 N ATOM 0 H GLN A 28 -6.421 3.402 0.987 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.270 1.852 -0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.656 0.913 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.085 0.146 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.048 1.718 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.120 3.017 2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.143 -0.218 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.952 0.225 4.832 1.00 0.00 H new ATOM 399 N SER A 29 -7.303 1.098 -1.070 1.00 0.00 N ATOM 400 CA SER A 29 -8.040 0.405 -2.114 1.00 0.00 C ATOM 401 C SER A 29 -7.542 0.852 -3.490 1.00 0.00 C ATOM 402 O SER A 29 -7.301 0.023 -4.366 1.00 0.00 O ATOM 403 CB SER A 29 -9.544 0.657 -1.986 1.00 0.00 C ATOM 404 OG SER A 29 -10.261 -0.536 -1.682 1.00 0.00 O ATOM 0 H SER A 29 -7.883 1.619 -0.412 1.00 0.00 H new ATOM 0 HA SER A 29 -7.868 -0.665 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.723 1.396 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.921 1.079 -2.917 1.00 0.00 H new ATOM 0 HG SER A 29 -11.217 -0.333 -1.607 1.00 0.00 H new ATOM 410 N GLU A 30 -7.403 2.161 -3.637 1.00 0.00 N ATOM 411 CA GLU A 30 -6.938 2.728 -4.892 1.00 0.00 C ATOM 412 C GLU A 30 -5.572 2.148 -5.262 1.00 0.00 C ATOM 413 O GLU A 30 -5.434 1.478 -6.285 1.00 0.00 O ATOM 414 CB GLU A 30 -6.884 4.255 -4.817 1.00 0.00 C ATOM 415 CG GLU A 30 -7.873 4.888 -5.797 1.00 0.00 C ATOM 416 CD GLU A 30 -7.288 6.155 -6.425 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.070 6.139 -6.705 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.072 7.111 -6.610 1.00 0.00 O ATOM 0 H GLU A 30 -7.604 2.846 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.648 2.461 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.113 4.581 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.874 4.598 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.123 4.172 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.800 5.130 -5.278 1.00 0.00 H new ATOM 425 N VAL A 31 -4.595 2.427 -4.411 1.00 0.00 N ATOM 426 CA VAL A 31 -3.245 1.941 -4.636 1.00 0.00 C ATOM 427 C VAL A 31 -3.301 0.481 -5.089 1.00 0.00 C ATOM 428 O VAL A 31 -2.779 0.135 -6.148 1.00 0.00 O ATOM 429 CB VAL A 31 -2.399 2.144 -3.378 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.078 1.378 -3.475 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.153 3.631 -3.117 1.00 0.00 C ATOM 0 H VAL A 31 -4.712 2.984 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.763 2.510 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.956 1.743 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.496 1.540 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.282 0.314 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.513 1.734 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.549 3.747 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.627 4.067 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.108 4.139 -2.982 1.00 0.00 H new ATOM 441 N THR A 32 -3.940 -0.337 -4.265 1.00 0.00 N ATOM 442 CA THR A 32 -4.071 -1.752 -4.568 1.00 0.00 C ATOM 443 C THR A 32 -4.738 -1.946 -5.931 1.00 0.00 C ATOM 444 O THR A 32 -4.402 -2.875 -6.664 1.00 0.00 O ATOM 445 CB THR A 32 -4.836 -2.412 -3.419 1.00 0.00 C ATOM 446 OG1 THR A 32 -5.913 -1.517 -3.158 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.037 -2.423 -2.114 1.00 0.00 C ATOM 0 H THR A 32 -4.372 -0.047 -3.388 1.00 0.00 H new ATOM 0 HA THR A 32 -3.095 -2.231 -4.647 1.00 0.00 H new ATOM 0 HB THR A 32 -5.094 -3.434 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.704 -0.975 -2.369 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.625 -2.902 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.109 -2.976 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.807 -1.399 -1.820 1.00 0.00 H new ATOM 455 N ARG A 33 -5.671 -1.054 -6.231 1.00 0.00 N ATOM 456 CA ARG A 33 -6.387 -1.115 -7.493 1.00 0.00 C ATOM 457 C ARG A 33 -5.412 -0.977 -8.664 1.00 0.00 C ATOM 458 O ARG A 33 -5.357 -1.843 -9.536 1.00 0.00 O ATOM 459 CB ARG A 33 -7.441 -0.010 -7.583 1.00 0.00 C ATOM 460 CG ARG A 33 -8.650 -0.469 -8.400 1.00 0.00 C ATOM 461 CD ARG A 33 -9.612 0.693 -8.657 1.00 0.00 C ATOM 462 NE ARG A 33 -10.907 0.177 -9.154 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.093 -0.329 -10.381 1.00 0.00 C ATOM 464 NH1 ARG A 33 -10.069 -0.390 -11.243 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.303 -0.774 -10.746 1.00 0.00 N ATOM 0 H ARG A 33 -5.947 -0.285 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.887 -2.082 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.762 0.274 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.004 0.877 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.315 -0.885 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.171 -1.266 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.765 1.259 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.180 1.379 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.708 0.208 -8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.148 -0.051 -10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.211 -0.775 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.083 -0.728 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.444 -1.159 -11.680 1.00 0.00 H new ATOM 479 N ILE A 34 -4.667 0.119 -8.646 1.00 0.00 N ATOM 480 CA ILE A 34 -3.697 0.382 -9.696 1.00 0.00 C ATOM 481 C ILE A 34 -2.706 -0.782 -9.771 1.00 0.00 C ATOM 482 O ILE A 34 -2.370 -1.246 -10.859 1.00 0.00 O ATOM 483 CB ILE A 34 -3.032 1.743 -9.482 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.080 2.852 -9.364 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.011 2.033 -10.584 1.00 0.00 C ATOM 486 CD1 ILE A 34 -3.989 3.549 -8.005 1.00 0.00 C ATOM 0 H ILE A 34 -4.716 0.835 -7.921 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.191 0.444 -10.665 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.487 1.713 -8.538 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.935 3.581 -10.161 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.077 2.431 -9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.553 3.006 -10.408 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.240 1.262 -10.578 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.512 2.037 -11.552 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.744 4.333 -7.947 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.159 2.822 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.999 3.990 -7.888 1.00 0.00 H new ATOM 498 N LEU A 35 -2.267 -1.220 -8.600 1.00 0.00 N ATOM 499 CA LEU A 35 -1.321 -2.320 -8.520 1.00 0.00 C ATOM 500 C LEU A 35 -1.960 -3.580 -9.106 1.00 0.00 C ATOM 501 O LEU A 35 -1.317 -4.317 -9.852 1.00 0.00 O ATOM 502 CB LEU A 35 -0.822 -2.494 -7.084 1.00 0.00 C ATOM 503 CG LEU A 35 0.130 -1.413 -6.569 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.520 -1.675 -5.113 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.356 -1.285 -7.476 1.00 0.00 C ATOM 0 H LEU A 35 -2.549 -0.833 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.435 -2.105 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.687 -2.534 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.319 -3.458 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.392 -0.457 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.197 -0.892 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.375 -1.677 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.016 -2.642 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.017 -0.510 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.889 -2.235 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.037 -1.018 -8.484 1.00 0.00 H new ATOM 517 N ASP A 36 -3.218 -3.789 -8.747 1.00 0.00 N ATOM 518 CA ASP A 36 -3.952 -4.947 -9.228 1.00 0.00 C ATOM 519 C ASP A 36 -4.075 -4.871 -10.751 1.00 0.00 C ATOM 520 O ASP A 36 -3.779 -5.838 -11.451 1.00 0.00 O ATOM 521 CB ASP A 36 -5.364 -4.988 -8.641 1.00 0.00 C ATOM 522 CG ASP A 36 -6.232 -6.151 -9.125 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.827 -7.306 -8.871 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.282 -5.858 -9.738 1.00 0.00 O ATOM 0 H ASP A 36 -3.748 -3.175 -8.128 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.409 -5.841 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.288 -5.038 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.869 -4.053 -8.882 1.00 0.00 H new ATOM 529 N GLY A 37 -4.514 -3.711 -11.220 1.00 0.00 N ATOM 530 CA GLY A 37 -4.680 -3.496 -12.647 1.00 0.00 C ATOM 531 C GLY A 37 -3.337 -3.581 -13.375 1.00 0.00 C ATOM 532 O GLY A 37 -3.241 -4.192 -14.438 1.00 0.00 O ATOM 0 H GLY A 37 -4.759 -2.911 -10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.365 -4.240 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.131 -2.519 -12.821 1.00 0.00 H new ATOM 536 N LYS A 38 -2.334 -2.959 -12.773 1.00 0.00 N ATOM 537 CA LYS A 38 -1.000 -2.957 -13.351 1.00 0.00 C ATOM 538 C LYS A 38 -0.406 -4.364 -13.256 1.00 0.00 C ATOM 539 O LYS A 38 0.656 -4.632 -13.816 1.00 0.00 O ATOM 540 CB LYS A 38 -0.135 -1.878 -12.696 1.00 0.00 C ATOM 541 CG LYS A 38 -0.693 -0.482 -12.976 1.00 0.00 C ATOM 542 CD LYS A 38 0.339 0.387 -13.697 1.00 0.00 C ATOM 543 CE LYS A 38 -0.183 1.812 -13.892 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.123 2.195 -15.321 1.00 0.00 N ATOM 0 H LYS A 38 -2.418 -2.453 -11.891 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.043 -2.700 -14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.090 -2.046 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.886 -1.947 -13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.594 -0.562 -13.584 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.982 -0.007 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.265 0.411 -13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.577 -0.053 -14.666 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.210 1.882 -13.534 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.410 2.507 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.481 3.165 -15.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.862 2.148 -15.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.708 1.542 -15.880 1.00 0.00 H new ATOM 558 N ARG A 39 -1.117 -5.225 -12.544 1.00 0.00 N ATOM 559 CA ARG A 39 -0.673 -6.598 -12.369 1.00 0.00 C ATOM 560 C ARG A 39 0.726 -6.628 -11.750 1.00 0.00 C ATOM 561 O ARG A 39 1.565 -7.437 -12.145 1.00 0.00 O ATOM 562 CB ARG A 39 -0.649 -7.343 -13.704 1.00 0.00 C ATOM 563 CG ARG A 39 -2.069 -7.606 -14.211 1.00 0.00 C ATOM 564 CD ARG A 39 -2.519 -9.028 -13.870 1.00 0.00 C ATOM 565 NE ARG A 39 -3.532 -8.993 -12.792 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.940 -10.072 -12.110 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.423 -11.276 -12.389 1.00 0.00 N ATOM 568 NH2 ARG A 39 -4.864 -9.946 -11.148 1.00 0.00 N ATOM 0 H ARG A 39 -1.998 -4.999 -12.081 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.379 -7.093 -11.703 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.098 -6.758 -14.441 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.120 -8.289 -13.587 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.757 -6.887 -13.766 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.107 -7.458 -15.290 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.935 -9.509 -14.755 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.662 -9.624 -13.556 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.945 -8.092 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.719 -11.372 -13.121 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.734 -12.097 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.257 -9.029 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.175 -10.767 -10.629 1.00 0.00 H new ATOM 582 N ILE A 40 0.934 -5.738 -10.792 1.00 0.00 N ATOM 583 CA ILE A 40 2.217 -5.653 -10.115 1.00 0.00 C ATOM 584 C ILE A 40 2.249 -6.659 -8.963 1.00 0.00 C ATOM 585 O ILE A 40 1.250 -6.847 -8.271 1.00 0.00 O ATOM 586 CB ILE A 40 2.500 -4.213 -9.682 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.756 -3.316 -10.895 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.652 -4.159 -8.676 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.839 -1.845 -10.482 1.00 0.00 C ATOM 0 H ILE A 40 0.236 -5.069 -10.468 1.00 0.00 H new ATOM 0 HA ILE A 40 3.025 -5.922 -10.795 1.00 0.00 H new ATOM 0 HB ILE A 40 1.614 -3.828 -9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.685 -3.614 -11.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.957 -3.448 -11.624 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.832 -3.124 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.392 -4.744 -7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.553 -4.570 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.021 -1.230 -11.363 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.900 -1.544 -10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.655 -1.712 -9.771 1.00 0.00 H new ATOM 601 N GLN A 41 3.408 -7.279 -8.792 1.00 0.00 N ATOM 602 CA GLN A 41 3.583 -8.261 -7.736 1.00 0.00 C ATOM 603 C GLN A 41 3.858 -7.562 -6.402 1.00 0.00 C ATOM 604 O GLN A 41 4.922 -6.976 -6.212 1.00 0.00 O ATOM 605 CB GLN A 41 4.703 -9.244 -8.081 1.00 0.00 C ATOM 606 CG GLN A 41 4.154 -10.661 -8.257 1.00 0.00 C ATOM 607 CD GLN A 41 5.153 -11.548 -9.003 1.00 0.00 C ATOM 608 OE1 GLN A 41 6.260 -11.795 -8.553 1.00 0.00 O ATOM 609 NE2 GLN A 41 4.702 -12.010 -10.166 1.00 0.00 N ATOM 0 H GLN A 41 4.235 -7.120 -9.368 1.00 0.00 H new ATOM 0 HA GLN A 41 2.660 -8.833 -7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.201 -8.927 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.454 -9.237 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.936 -11.094 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.213 -10.625 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.764 -11.764 -10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.294 -12.610 -10.740 1.00 0.00 H new ATOM 618 N TYR A 42 2.879 -7.648 -5.513 1.00 0.00 N ATOM 619 CA TYR A 42 3.002 -7.032 -4.203 1.00 0.00 C ATOM 620 C TYR A 42 2.231 -7.828 -3.148 1.00 0.00 C ATOM 621 O TYR A 42 1.597 -8.833 -3.464 1.00 0.00 O ATOM 622 CB TYR A 42 2.379 -5.640 -4.331 1.00 0.00 C ATOM 623 CG TYR A 42 0.851 -5.646 -4.393 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.113 -5.688 -3.227 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.209 -5.609 -5.614 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.325 -5.693 -3.285 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.230 -5.614 -5.672 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.926 -5.656 -4.505 1.00 0.00 C ATOM 629 OH TYR A 42 -3.285 -5.661 -4.559 1.00 0.00 O ATOM 0 H TYR A 42 1.997 -8.135 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 42 4.046 -6.996 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.696 -5.032 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.767 -5.161 -5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.615 -5.717 -2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.786 -5.576 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.914 -5.725 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.745 -5.585 -6.621 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.575 -5.631 -5.495 1.00 0.00 H new ATOM 639 N GLN A 43 2.310 -7.347 -1.916 1.00 0.00 N ATOM 640 CA GLN A 43 1.627 -8.001 -0.812 1.00 0.00 C ATOM 641 C GLN A 43 1.161 -6.964 0.212 1.00 0.00 C ATOM 642 O GLN A 43 1.955 -6.153 0.685 1.00 0.00 O ATOM 643 CB GLN A 43 2.525 -9.053 -0.158 1.00 0.00 C ATOM 644 CG GLN A 43 1.701 -10.242 0.341 1.00 0.00 C ATOM 645 CD GLN A 43 2.608 -11.409 0.737 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.774 -11.472 0.382 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.010 -12.327 1.491 1.00 0.00 N ATOM 0 H GLN A 43 2.836 -6.512 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 43 0.750 -8.514 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.270 -9.397 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.067 -8.606 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.099 -9.938 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.009 -10.562 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.031 -12.213 1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.531 -13.145 1.808 1.00 0.00 H new ATOM 656 N LEU A 44 -0.125 -7.025 0.525 1.00 0.00 N ATOM 657 CA LEU A 44 -0.707 -6.102 1.484 1.00 0.00 C ATOM 658 C LEU A 44 -0.224 -6.463 2.890 1.00 0.00 C ATOM 659 O LEU A 44 0.031 -7.631 3.182 1.00 0.00 O ATOM 660 CB LEU A 44 -2.230 -6.075 1.346 1.00 0.00 C ATOM 661 CG LEU A 44 -2.843 -4.733 0.938 1.00 0.00 C ATOM 662 CD1 LEU A 44 -2.537 -3.653 1.977 1.00 0.00 C ATOM 663 CD2 LEU A 44 -2.386 -4.326 -0.464 1.00 0.00 C ATOM 0 H LEU A 44 -0.781 -7.700 0.131 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.374 -5.084 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.522 -6.824 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.667 -6.377 2.298 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.926 -4.848 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.984 -2.709 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.951 -3.948 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.458 -3.531 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.836 -3.369 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.300 -4.234 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.696 -5.085 -1.182 1.00 0.00 H new ATOM 675 N VAL A 45 -0.111 -5.440 3.724 1.00 0.00 N ATOM 676 CA VAL A 45 0.337 -5.635 5.092 1.00 0.00 C ATOM 677 C VAL A 45 -0.526 -4.792 6.032 1.00 0.00 C ATOM 678 O VAL A 45 -0.345 -3.578 6.126 1.00 0.00 O ATOM 679 CB VAL A 45 1.830 -5.316 5.204 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.245 -5.144 6.667 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.673 -6.392 4.517 1.00 0.00 C ATOM 0 H VAL A 45 -0.322 -4.473 3.478 1.00 0.00 H new ATOM 0 HA VAL A 45 0.217 -6.677 5.388 1.00 0.00 H new ATOM 0 HB VAL A 45 2.011 -4.371 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.310 -4.918 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.678 -4.326 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.042 -6.065 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.730 -6.141 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.486 -7.357 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.405 -6.445 3.462 1.00 0.00 H new ATOM 691 N ASP A 46 -1.447 -5.467 6.704 1.00 0.00 N ATOM 692 CA ASP A 46 -2.339 -4.795 7.634 1.00 0.00 C ATOM 693 C ASP A 46 -1.551 -4.372 8.875 1.00 0.00 C ATOM 694 O ASP A 46 -1.200 -5.207 9.707 1.00 0.00 O ATOM 695 CB ASP A 46 -3.467 -5.726 8.085 1.00 0.00 C ATOM 696 CG ASP A 46 -4.553 -5.061 8.933 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.296 -3.931 9.400 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.616 -5.698 9.095 1.00 0.00 O ATOM 0 H ASP A 46 -1.595 -6.473 6.623 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.766 -3.930 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.933 -6.162 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.034 -6.548 8.655 1.00 0.00 H new ATOM 703 N ILE A 47 -1.295 -3.075 8.960 1.00 0.00 N ATOM 704 CA ILE A 47 -0.554 -2.530 10.085 1.00 0.00 C ATOM 705 C ILE A 47 -1.366 -2.727 11.367 1.00 0.00 C ATOM 706 O ILE A 47 -0.814 -3.081 12.408 1.00 0.00 O ATOM 707 CB ILE A 47 -0.168 -1.074 9.819 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.393 -0.160 9.893 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.569 -0.937 8.485 1.00 0.00 C ATOM 710 CD1 ILE A 47 -1.033 1.272 9.493 1.00 0.00 C ATOM 0 H ILE A 47 -1.588 -2.385 8.268 1.00 0.00 H new ATOM 0 HA ILE A 47 0.387 -3.065 10.217 1.00 0.00 H new ATOM 0 HB ILE A 47 0.520 -0.755 10.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.175 -0.540 9.235 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.797 -0.168 10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.832 0.108 8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.476 -1.540 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.076 -1.281 7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.921 1.901 9.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.269 1.657 10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.653 1.280 8.472 1.00 0.00 H new ATOM 722 N SER A 48 -2.664 -2.488 11.250 1.00 0.00 N ATOM 723 CA SER A 48 -3.558 -2.634 12.387 1.00 0.00 C ATOM 724 C SER A 48 -3.334 -3.991 13.057 1.00 0.00 C ATOM 725 O SER A 48 -3.161 -4.067 14.272 1.00 0.00 O ATOM 726 CB SER A 48 -5.020 -2.487 11.960 1.00 0.00 C ATOM 727 OG SER A 48 -5.840 -2.009 13.023 1.00 0.00 O ATOM 0 H SER A 48 -3.118 -2.194 10.385 1.00 0.00 H new ATOM 0 HA SER A 48 -3.335 -1.842 13.102 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.084 -1.801 11.116 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.396 -3.451 11.617 1.00 0.00 H new ATOM 0 HG SER A 48 -6.629 -2.583 13.111 1.00 0.00 H new ATOM 733 N GLN A 49 -3.346 -5.031 12.234 1.00 0.00 N ATOM 734 CA GLN A 49 -3.147 -6.381 12.732 1.00 0.00 C ATOM 735 C GLN A 49 -2.060 -6.395 13.809 1.00 0.00 C ATOM 736 O GLN A 49 -2.348 -6.616 14.984 1.00 0.00 O ATOM 737 CB GLN A 49 -2.802 -7.340 11.592 1.00 0.00 C ATOM 738 CG GLN A 49 -4.068 -7.923 10.962 1.00 0.00 C ATOM 739 CD GLN A 49 -4.276 -9.377 11.392 1.00 0.00 C ATOM 740 OE1 GLN A 49 -4.204 -9.722 12.560 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.536 -10.206 10.385 1.00 0.00 N ATOM 0 H GLN A 49 -3.490 -4.965 11.226 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.080 -6.723 13.181 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.223 -6.814 10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.174 -8.148 11.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.932 -7.326 11.255 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.996 -7.868 9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.582 -9.850 9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.690 -11.198 10.567 1.00 0.00 H new ATOM 750 N ASP A 50 -0.833 -6.156 13.369 1.00 0.00 N ATOM 751 CA ASP A 50 0.298 -6.138 14.281 1.00 0.00 C ATOM 752 C ASP A 50 0.673 -4.688 14.594 1.00 0.00 C ATOM 753 O ASP A 50 1.093 -3.947 13.707 1.00 0.00 O ATOM 754 CB ASP A 50 1.519 -6.818 13.657 1.00 0.00 C ATOM 755 CG ASP A 50 2.134 -7.939 14.496 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.503 -8.298 15.514 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.222 -8.412 14.102 1.00 0.00 O ATOM 0 H ASP A 50 -0.598 -5.973 12.393 1.00 0.00 H new ATOM 0 HA ASP A 50 0.010 -6.673 15.186 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.233 -7.225 12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.282 -6.062 13.473 1.00 0.00 H new ATOM 762 N ASN A 51 0.507 -4.328 15.858 1.00 0.00 N ATOM 763 CA ASN A 51 0.823 -2.979 16.299 1.00 0.00 C ATOM 764 C ASN A 51 2.226 -2.605 15.817 1.00 0.00 C ATOM 765 O ASN A 51 2.468 -1.464 15.426 1.00 0.00 O ATOM 766 CB ASN A 51 0.805 -2.881 17.826 1.00 0.00 C ATOM 767 CG ASN A 51 0.812 -1.421 18.281 1.00 0.00 C ATOM 768 OD1 ASN A 51 1.614 -0.611 17.844 1.00 0.00 O ATOM 769 ND2 ASN A 51 -0.122 -1.130 19.181 1.00 0.00 N ATOM 0 H ASN A 51 0.158 -4.946 16.591 1.00 0.00 H new ATOM 0 HA ASN A 51 0.073 -2.304 15.885 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.080 -3.383 18.216 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.672 -3.398 18.238 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.199 -0.181 19.548 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.762 -1.855 19.505 1.00 0.00 H new ATOM 776 N ALA A 52 3.114 -3.588 15.861 1.00 0.00 N ATOM 777 CA ALA A 52 4.486 -3.376 15.434 1.00 0.00 C ATOM 778 C ALA A 52 4.490 -2.708 14.058 1.00 0.00 C ATOM 779 O ALA A 52 5.093 -1.650 13.879 1.00 0.00 O ATOM 780 CB ALA A 52 5.234 -4.711 15.435 1.00 0.00 C ATOM 0 H ALA A 52 2.909 -4.533 16.186 1.00 0.00 H new ATOM 0 HA ALA A 52 5.004 -2.711 16.125 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.264 -4.551 15.114 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.228 -5.131 16.441 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.744 -5.403 14.750 1.00 0.00 H new ATOM 786 N LEU A 53 3.810 -3.352 13.120 1.00 0.00 N ATOM 787 CA LEU A 53 3.728 -2.833 11.766 1.00 0.00 C ATOM 788 C LEU A 53 3.548 -1.314 11.816 1.00 0.00 C ATOM 789 O LEU A 53 4.368 -0.571 11.279 1.00 0.00 O ATOM 790 CB LEU A 53 2.632 -3.556 10.981 1.00 0.00 C ATOM 791 CG LEU A 53 2.934 -5.002 10.583 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.649 -5.827 10.495 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.740 -5.056 9.283 1.00 0.00 C ATOM 0 H LEU A 53 3.311 -4.229 13.272 1.00 0.00 H new ATOM 0 HA LEU A 53 4.655 -3.027 11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.720 -3.547 11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.426 -2.986 10.075 1.00 0.00 H new ATOM 0 HG LEU A 53 3.550 -5.449 11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.893 -6.851 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.151 -5.829 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.987 -5.390 9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.941 -6.095 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.170 -4.585 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.683 -4.526 9.417 1.00 0.00 H new ATOM 805 N ARG A 54 2.471 -0.899 12.465 1.00 0.00 N ATOM 806 CA ARG A 54 2.173 0.517 12.592 1.00 0.00 C ATOM 807 C ARG A 54 3.462 1.313 12.808 1.00 0.00 C ATOM 808 O ARG A 54 3.666 2.352 12.182 1.00 0.00 O ATOM 809 CB ARG A 54 1.220 0.777 13.761 1.00 0.00 C ATOM 810 CG ARG A 54 0.469 2.097 13.573 1.00 0.00 C ATOM 811 CD ARG A 54 -0.575 2.295 14.674 1.00 0.00 C ATOM 812 NE ARG A 54 -0.841 3.738 14.865 1.00 0.00 N ATOM 813 CZ ARG A 54 -1.521 4.498 13.995 1.00 0.00 C ATOM 814 NH1 ARG A 54 -2.007 3.957 12.870 1.00 0.00 N ATOM 815 NH2 ARG A 54 -1.715 5.799 14.251 1.00 0.00 N ATOM 0 H ARG A 54 1.793 -1.519 12.909 1.00 0.00 H new ATOM 0 HA ARG A 54 1.693 0.839 11.668 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.507 -0.043 13.843 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.782 0.804 14.694 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.176 2.927 13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.019 2.106 12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.498 1.779 14.409 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.220 1.856 15.606 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.485 4.182 15.711 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.860 2.967 12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.524 4.535 12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.345 6.211 15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.232 6.377 13.589 1.00 0.00 H new ATOM 829 N ASP A 55 4.298 0.795 13.695 1.00 0.00 N ATOM 830 CA ASP A 55 5.561 1.445 14.001 1.00 0.00 C ATOM 831 C ASP A 55 6.523 1.258 12.826 1.00 0.00 C ATOM 832 O ASP A 55 6.998 2.234 12.246 1.00 0.00 O ATOM 833 CB ASP A 55 6.209 0.832 15.244 1.00 0.00 C ATOM 834 CG ASP A 55 7.167 1.757 15.997 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.857 2.540 15.309 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.188 1.660 17.243 1.00 0.00 O ATOM 0 H ASP A 55 4.126 -0.067 14.212 1.00 0.00 H new ATOM 0 HA ASP A 55 5.362 2.501 14.182 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.421 0.516 15.927 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.752 -0.065 14.947 1.00 0.00 H new ATOM 841 N GLU A 56 6.782 -0.002 12.509 1.00 0.00 N ATOM 842 CA GLU A 56 7.679 -0.329 11.413 1.00 0.00 C ATOM 843 C GLU A 56 7.431 0.605 10.227 1.00 0.00 C ATOM 844 O GLU A 56 8.360 0.949 9.498 1.00 0.00 O ATOM 845 CB GLU A 56 7.527 -1.794 10.999 1.00 0.00 C ATOM 846 CG GLU A 56 8.512 -2.684 11.759 1.00 0.00 C ATOM 847 CD GLU A 56 7.805 -3.904 12.352 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.099 -4.583 11.576 1.00 0.00 O ATOM 849 OE2 GLU A 56 7.985 -4.130 13.568 1.00 0.00 O ATOM 0 H GLU A 56 6.387 -0.809 12.992 1.00 0.00 H new ATOM 0 HA GLU A 56 8.705 -0.187 11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.507 -2.126 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.696 -1.892 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.306 -3.010 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.985 -2.111 12.556 1.00 0.00 H new ATOM 856 N MET A 57 6.172 0.989 10.071 1.00 0.00 N ATOM 857 CA MET A 57 5.790 1.876 8.986 1.00 0.00 C ATOM 858 C MET A 57 6.366 3.278 9.195 1.00 0.00 C ATOM 859 O MET A 57 7.082 3.793 8.337 1.00 0.00 O ATOM 860 CB MET A 57 4.264 1.958 8.907 1.00 0.00 C ATOM 861 CG MET A 57 3.820 2.746 7.672 1.00 0.00 C ATOM 862 SD MET A 57 3.914 4.498 7.999 1.00 0.00 S ATOM 863 CE MET A 57 2.727 4.629 9.327 1.00 0.00 C ATOM 0 H MET A 57 5.404 0.702 10.678 1.00 0.00 H new ATOM 0 HA MET A 57 6.190 1.474 8.055 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.844 0.953 8.872 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.875 2.435 9.806 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.453 2.492 6.822 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.800 2.472 7.403 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.541 5.680 9.546 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.794 4.150 9.030 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.120 4.137 10.216 1.00 0.00 H new ATOM 873 N ARG A 58 6.033 3.856 10.339 1.00 0.00 N ATOM 874 CA ARG A 58 6.509 5.188 10.672 1.00 0.00 C ATOM 875 C ARG A 58 8.034 5.249 10.562 1.00 0.00 C ATOM 876 O ARG A 58 8.582 6.202 10.008 1.00 0.00 O ATOM 877 CB ARG A 58 6.090 5.585 12.089 1.00 0.00 C ATOM 878 CG ARG A 58 4.568 5.563 12.237 1.00 0.00 C ATOM 879 CD ARG A 58 4.155 5.802 13.691 1.00 0.00 C ATOM 880 NE ARG A 58 3.429 4.621 14.211 1.00 0.00 N ATOM 881 CZ ARG A 58 3.297 4.334 15.513 1.00 0.00 C ATOM 882 NH1 ARG A 58 3.841 5.140 16.435 1.00 0.00 N ATOM 883 NH2 ARG A 58 2.622 3.241 15.894 1.00 0.00 N ATOM 0 H ARG A 58 5.439 3.426 11.048 1.00 0.00 H new ATOM 0 HA ARG A 58 6.062 5.886 9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.539 4.902 12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.467 6.582 12.318 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.126 6.328 11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.180 4.602 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.037 5.995 14.301 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.522 6.687 13.757 1.00 0.00 H new ATOM 0 HE ARG A 58 3.003 3.986 13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.355 5.972 16.146 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.741 4.922 17.426 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.208 2.627 15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.522 3.023 16.885 1.00 0.00 H new ATOM 897 N THR A 59 8.676 4.222 11.097 1.00 0.00 N ATOM 898 CA THR A 59 10.127 4.147 11.066 1.00 0.00 C ATOM 899 C THR A 59 10.625 4.056 9.622 1.00 0.00 C ATOM 900 O THR A 59 11.445 4.866 9.193 1.00 0.00 O ATOM 901 CB THR A 59 10.558 2.963 11.933 1.00 0.00 C ATOM 902 OG1 THR A 59 10.496 3.467 13.265 1.00 0.00 O ATOM 903 CG2 THR A 59 12.032 2.602 11.740 1.00 0.00 C ATOM 0 H THR A 59 8.218 3.434 11.555 1.00 0.00 H new ATOM 0 HA THR A 59 10.579 5.050 11.477 1.00 0.00 H new ATOM 0 HB THR A 59 9.938 2.097 11.699 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.759 2.763 13.894 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.286 1.756 12.378 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.208 2.336 10.698 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.654 3.457 12.006 1.00 0.00 H new ATOM 911 N LEU A 60 10.109 3.063 8.913 1.00 0.00 N ATOM 912 CA LEU A 60 10.492 2.856 7.527 1.00 0.00 C ATOM 913 C LEU A 60 10.261 4.148 6.740 1.00 0.00 C ATOM 914 O LEU A 60 11.186 4.678 6.127 1.00 0.00 O ATOM 915 CB LEU A 60 9.762 1.643 6.945 1.00 0.00 C ATOM 916 CG LEU A 60 10.310 0.273 7.350 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.331 -0.841 6.975 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.699 0.040 6.754 1.00 0.00 C ATOM 0 H LEU A 60 9.429 2.393 9.272 1.00 0.00 H new ATOM 0 HA LEU A 60 11.555 2.624 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.715 1.696 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.788 1.716 5.858 1.00 0.00 H new ATOM 0 HG LEU A 60 10.418 0.255 8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.744 -1.804 7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.382 -0.679 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.168 -0.835 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.065 -0.941 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.641 0.085 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.383 0.809 7.113 1.00 0.00 H new ATOM 930 N ALA A 61 9.023 4.617 6.784 1.00 0.00 N ATOM 931 CA ALA A 61 8.660 5.836 6.083 1.00 0.00 C ATOM 932 C ALA A 61 9.635 6.950 6.467 1.00 0.00 C ATOM 933 O ALA A 61 10.260 7.560 5.600 1.00 0.00 O ATOM 934 CB ALA A 61 7.208 6.197 6.404 1.00 0.00 C ATOM 0 H ALA A 61 8.259 4.175 7.294 1.00 0.00 H new ATOM 0 HA ALA A 61 8.730 5.693 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.936 7.112 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.553 5.386 6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.100 6.350 7.478 1.00 0.00 H new ATOM 940 N GLY A 62 9.736 7.182 7.768 1.00 0.00 N ATOM 941 CA GLY A 62 10.626 8.212 8.277 1.00 0.00 C ATOM 942 C GLY A 62 9.832 9.367 8.891 1.00 0.00 C ATOM 943 O GLY A 62 10.209 10.530 8.748 1.00 0.00 O ATOM 0 H GLY A 62 9.217 6.675 8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.292 7.785 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.254 8.587 7.469 1.00 0.00 H new ATOM 947 N ASN A 63 8.748 9.007 9.562 1.00 0.00 N ATOM 948 CA ASN A 63 7.898 9.999 10.199 1.00 0.00 C ATOM 949 C ASN A 63 6.930 9.298 11.154 1.00 0.00 C ATOM 950 O ASN A 63 6.319 8.292 10.796 1.00 0.00 O ATOM 951 CB ASN A 63 7.070 10.761 9.163 1.00 0.00 C ATOM 952 CG ASN A 63 6.743 12.173 9.653 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.575 13.066 9.656 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.488 12.325 10.066 1.00 0.00 N ATOM 0 H ASN A 63 8.439 8.042 9.679 1.00 0.00 H new ATOM 0 HA ASN A 63 8.540 10.699 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.619 10.817 8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.146 10.219 8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.171 13.231 10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.842 11.536 10.037 1.00 0.00 H new ATOM 961 N PRO A 64 6.818 9.871 12.382 1.00 0.00 N ATOM 962 CA PRO A 64 5.934 9.312 13.391 1.00 0.00 C ATOM 963 C PRO A 64 4.471 9.624 13.073 1.00 0.00 C ATOM 964 O PRO A 64 3.578 8.851 13.417 1.00 0.00 O ATOM 965 CB PRO A 64 6.400 9.922 14.703 1.00 0.00 C ATOM 966 CG PRO A 64 7.217 11.147 14.326 1.00 0.00 C ATOM 967 CD PRO A 64 7.525 11.063 12.840 1.00 0.00 C ATOM 0 HA PRO A 64 5.980 8.224 13.434 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.551 10.196 15.329 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.000 9.212 15.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.663 12.059 14.550 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.139 11.184 14.906 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.182 11.954 12.314 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.597 10.980 12.662 1.00 0.00 H new ATOM 975 N LYS A 65 4.270 10.759 12.419 1.00 0.00 N ATOM 976 CA LYS A 65 2.930 11.183 12.051 1.00 0.00 C ATOM 977 C LYS A 65 2.626 10.717 10.625 1.00 0.00 C ATOM 978 O LYS A 65 2.088 11.477 9.822 1.00 0.00 O ATOM 979 CB LYS A 65 2.771 12.691 12.252 1.00 0.00 C ATOM 980 CG LYS A 65 2.995 13.076 13.716 1.00 0.00 C ATOM 981 CD LYS A 65 1.714 13.635 14.338 1.00 0.00 C ATOM 982 CE LYS A 65 1.876 13.826 15.848 1.00 0.00 C ATOM 983 NZ LYS A 65 0.674 14.472 16.420 1.00 0.00 N ATOM 0 H LYS A 65 5.013 11.398 12.135 1.00 0.00 H new ATOM 0 HA LYS A 65 2.191 10.718 12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.482 13.223 11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.773 13.000 11.940 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.326 12.203 14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.790 13.819 13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.465 14.588 13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.884 12.957 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.040 12.861 16.327 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.756 14.437 16.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.800 14.594 17.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.534 15.402 15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.159 13.875 16.243 1.00 0.00 H new ATOM 997 N ALA A 66 2.985 9.471 10.355 1.00 0.00 N ATOM 998 CA ALA A 66 2.758 8.895 9.040 1.00 0.00 C ATOM 999 C ALA A 66 1.467 8.074 9.064 1.00 0.00 C ATOM 1000 O ALA A 66 0.979 7.708 10.132 1.00 0.00 O ATOM 1001 CB ALA A 66 3.972 8.060 8.631 1.00 0.00 C ATOM 0 H ALA A 66 3.431 8.844 11.024 1.00 0.00 H new ATOM 0 HA ALA A 66 2.636 9.680 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.801 7.628 7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.857 8.695 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.124 7.260 9.356 1.00 0.00 H new ATOM 1007 N THR A 67 0.950 7.809 7.873 1.00 0.00 N ATOM 1008 CA THR A 67 -0.275 7.038 7.744 1.00 0.00 C ATOM 1009 C THR A 67 -0.297 6.292 6.408 1.00 0.00 C ATOM 1010 O THR A 67 0.408 6.666 5.473 1.00 0.00 O ATOM 1011 CB THR A 67 -1.456 7.993 7.926 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.200 9.043 6.997 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.442 8.690 9.288 1.00 0.00 C ATOM 0 H THR A 67 1.357 8.114 6.989 1.00 0.00 H new ATOM 0 HA THR A 67 -0.340 6.267 8.512 1.00 0.00 H new ATOM 0 HB THR A 67 -2.389 7.441 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.919 9.707 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.301 9.356 9.365 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.490 7.942 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.524 9.269 9.391 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.137 5.223 6.361 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.260 4.421 5.156 1.00 0.00 C ATOM 1023 C PRO A 68 -2.078 5.155 4.091 1.00 0.00 C ATOM 1024 O PRO A 68 -2.730 6.155 4.384 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.907 3.123 5.611 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.543 3.425 6.958 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.988 4.752 7.450 1.00 0.00 C ATOM 0 HA PRO A 68 -0.299 4.226 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.655 2.786 4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.167 2.327 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.628 3.476 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.322 2.631 7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.788 5.461 7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.419 4.626 8.371 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.015 4.614 2.844 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.218 3.427 2.583 1.00 0.00 C ATOM 1037 C PRO A 69 0.274 3.765 2.550 1.00 0.00 C ATOM 1038 O PRO A 69 0.660 4.910 2.777 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.735 2.891 1.258 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.475 4.045 0.601 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.697 5.117 1.655 1.00 0.00 C ATOM 0 HA PRO A 69 -1.313 2.675 3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.914 2.545 0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.398 2.040 1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.897 4.444 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.428 3.706 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.286 6.075 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.759 5.273 1.844 1.00 0.00 H new ATOM 1049 N GLN A 70 1.072 2.746 2.265 1.00 0.00 N ATOM 1050 CA GLN A 70 2.513 2.920 2.200 1.00 0.00 C ATOM 1051 C GLN A 70 3.144 1.811 1.356 1.00 0.00 C ATOM 1052 O GLN A 70 3.114 0.642 1.739 1.00 0.00 O ATOM 1053 CB GLN A 70 3.125 2.958 3.601 1.00 0.00 C ATOM 1054 CG GLN A 70 3.941 4.235 3.809 1.00 0.00 C ATOM 1055 CD GLN A 70 3.109 5.308 4.516 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.140 5.028 5.201 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.541 6.549 4.311 1.00 0.00 N ATOM 0 H GLN A 70 0.748 1.797 2.077 1.00 0.00 H new ATOM 0 HA GLN A 70 2.722 3.877 1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.334 2.902 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.763 2.087 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.830 4.011 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.285 4.612 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.360 6.714 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.053 7.336 4.739 1.00 0.00 H new ATOM 1066 N ILE A 71 3.699 2.216 0.223 1.00 0.00 N ATOM 1067 CA ILE A 71 4.336 1.270 -0.678 1.00 0.00 C ATOM 1068 C ILE A 71 5.793 1.072 -0.255 1.00 0.00 C ATOM 1069 O ILE A 71 6.482 2.033 0.081 1.00 0.00 O ATOM 1070 CB ILE A 71 4.173 1.722 -2.131 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.698 1.932 -2.477 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.854 0.743 -3.089 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.307 3.405 -2.340 1.00 0.00 C ATOM 0 H ILE A 71 3.721 3.186 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 71 3.850 0.296 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 71 4.671 2.685 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.508 1.595 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.076 1.324 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.723 1.087 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.918 0.688 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.407 -0.245 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.253 3.527 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.475 3.732 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.914 4.007 -3.017 1.00 0.00 H new ATOM 1085 N VAL A 72 6.219 -0.183 -0.285 1.00 0.00 N ATOM 1086 CA VAL A 72 7.581 -0.520 0.091 1.00 0.00 C ATOM 1087 C VAL A 72 8.107 -1.613 -0.842 1.00 0.00 C ATOM 1088 O VAL A 72 7.388 -2.557 -1.165 1.00 0.00 O ATOM 1089 CB VAL A 72 7.633 -0.918 1.567 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.065 -0.850 2.103 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.693 -0.047 2.403 1.00 0.00 C ATOM 0 H VAL A 72 5.644 -0.978 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 72 8.234 0.346 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 72 7.294 -1.951 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.074 -1.138 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.699 -1.531 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.443 0.167 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.749 -0.351 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.989 0.998 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.671 -0.167 2.045 1.00 0.00 H new ATOM 1101 N ASN A 73 9.358 -1.448 -1.248 1.00 0.00 N ATOM 1102 CA ASN A 73 9.988 -2.409 -2.137 1.00 0.00 C ATOM 1103 C ASN A 73 11.125 -3.113 -1.395 1.00 0.00 C ATOM 1104 O ASN A 73 12.182 -2.526 -1.170 1.00 0.00 O ATOM 1105 CB ASN A 73 10.583 -1.715 -3.365 1.00 0.00 C ATOM 1106 CG ASN A 73 10.640 -2.670 -4.560 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.168 -3.767 -4.486 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.069 -2.192 -5.661 1.00 0.00 N ATOM 0 H ASN A 73 9.951 -0.664 -0.978 1.00 0.00 H new ATOM 0 HA ASN A 73 9.228 -3.121 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.982 -0.842 -3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.586 -1.355 -3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.055 -2.753 -6.513 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.645 -1.264 -5.654 1.00 0.00 H new ATOM 1115 N GLY A 74 10.870 -4.363 -1.036 1.00 0.00 N ATOM 1116 CA GLY A 74 11.859 -5.154 -0.325 1.00 0.00 C ATOM 1117 C GLY A 74 12.266 -4.475 0.985 1.00 0.00 C ATOM 1118 O GLY A 74 11.708 -4.771 2.041 1.00 0.00 O ATOM 0 H GLY A 74 9.992 -4.847 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.455 -6.144 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.738 -5.295 -0.954 1.00 0.00 H new ATOM 1122 N ASN A 75 13.234 -3.577 0.873 1.00 0.00 N ATOM 1123 CA ASN A 75 13.721 -2.854 2.035 1.00 0.00 C ATOM 1124 C ASN A 75 13.860 -1.371 1.685 1.00 0.00 C ATOM 1125 O ASN A 75 14.621 -0.647 2.325 1.00 0.00 O ATOM 1126 CB ASN A 75 15.096 -3.368 2.467 1.00 0.00 C ATOM 1127 CG ASN A 75 14.993 -4.192 3.752 1.00 0.00 C ATOM 1128 OD1 ASN A 75 13.947 -4.711 4.106 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.135 -4.283 4.429 1.00 0.00 N ATOM 0 H ASN A 75 13.694 -3.334 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 75 13.009 -3.002 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.526 -3.978 1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.771 -2.526 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.170 -4.812 5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.975 -3.824 4.076 1.00 0.00 H new ATOM 1136 N HIS A 76 13.111 -0.962 0.671 1.00 0.00 N ATOM 1137 CA HIS A 76 13.141 0.422 0.229 1.00 0.00 C ATOM 1138 C HIS A 76 11.766 1.059 0.443 1.00 0.00 C ATOM 1139 O HIS A 76 10.740 0.409 0.249 1.00 0.00 O ATOM 1140 CB HIS A 76 13.621 0.519 -1.221 1.00 0.00 C ATOM 1141 CG HIS A 76 14.992 -0.069 -1.455 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.153 0.538 -1.009 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.374 -1.213 -2.090 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.182 -0.216 -1.367 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.698 -1.301 -2.038 1.00 0.00 N ATOM 0 H HIS A 76 12.480 -1.565 0.143 1.00 0.00 H new ATOM 0 HA HIS A 76 13.860 0.983 0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.904 0.010 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.631 1.567 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.712 -1.927 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.222 -0.008 -1.163 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.260 -2.055 -2.434 1.00 0.00 H new ATOM 1153 N TYR A 77 11.791 2.323 0.839 1.00 0.00 N ATOM 1154 CA TYR A 77 10.559 3.054 1.081 1.00 0.00 C ATOM 1155 C TYR A 77 10.167 3.888 -0.140 1.00 0.00 C ATOM 1156 O TYR A 77 10.777 4.920 -0.414 1.00 0.00 O ATOM 1157 CB TYR A 77 10.850 3.995 2.253 1.00 0.00 C ATOM 1158 CG TYR A 77 9.772 5.055 2.482 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.438 4.706 2.428 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.134 6.361 2.744 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.423 5.705 2.644 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.119 7.360 2.960 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.813 6.982 2.900 1.00 0.00 C ATOM 1164 OH TYR A 77 6.855 7.925 3.104 1.00 0.00 O ATOM 0 H TYR A 77 12.644 2.859 0.998 1.00 0.00 H new ATOM 0 HA TYR A 77 9.740 2.366 1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.962 3.403 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.803 4.493 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.155 3.684 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.178 6.634 2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.375 5.445 2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.388 8.386 3.165 1.00 0.00 H new ATOM 0 HH TYR A 77 7.280 8.791 3.277 1.00 0.00 H new ATOM 1174 N CYS A 78 9.151 3.408 -0.843 1.00 0.00 N ATOM 1175 CA CYS A 78 8.671 4.096 -2.029 1.00 0.00 C ATOM 1176 C CYS A 78 8.128 5.462 -1.606 1.00 0.00 C ATOM 1177 O CYS A 78 8.746 6.491 -1.878 1.00 0.00 O ATOM 1178 CB CYS A 78 7.620 3.270 -2.775 1.00 0.00 C ATOM 1179 SG CYS A 78 8.380 1.744 -3.441 1.00 0.00 S ATOM 0 H CYS A 78 8.647 2.551 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 78 9.494 4.235 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.801 3.015 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.193 3.858 -3.587 1.00 0.00 H new ATOM 0 HG CYS A 78 8.052 0.733 -2.692 1.00 0.00 H new ATOM 1185 N GLY A 79 6.979 5.428 -0.947 1.00 0.00 N ATOM 1186 CA GLY A 79 6.346 6.651 -0.484 1.00 0.00 C ATOM 1187 C GLY A 79 4.927 6.378 0.019 1.00 0.00 C ATOM 1188 O GLY A 79 4.659 5.321 0.588 1.00 0.00 O ATOM 0 H GLY A 79 6.470 4.573 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.941 7.092 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.314 7.378 -1.296 1.00 0.00 H new ATOM 1192 N ASP A 80 4.056 7.349 -0.210 1.00 0.00 N ATOM 1193 CA ASP A 80 2.671 7.227 0.213 1.00 0.00 C ATOM 1194 C ASP A 80 1.759 7.309 -1.013 1.00 0.00 C ATOM 1195 O ASP A 80 2.234 7.480 -2.135 1.00 0.00 O ATOM 1196 CB ASP A 80 2.284 8.359 1.167 1.00 0.00 C ATOM 1197 CG ASP A 80 2.008 9.705 0.494 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.751 10.027 -0.457 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.059 10.381 0.947 1.00 0.00 O ATOM 0 H ASP A 80 4.282 8.224 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 80 2.558 6.271 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.395 8.058 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.085 8.491 1.894 1.00 0.00 H new ATOM 1204 N TYR A 81 0.465 7.183 -0.758 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.518 7.241 -1.826 1.00 0.00 C ATOM 1206 C TYR A 81 -0.298 8.472 -2.708 1.00 0.00 C ATOM 1207 O TYR A 81 -0.444 8.401 -3.927 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.881 7.357 -1.141 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.036 7.658 -2.098 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.255 8.950 -2.530 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.858 6.637 -2.529 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.342 9.233 -3.431 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.945 6.920 -3.430 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.133 8.204 -3.837 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.160 8.471 -4.688 1.00 0.00 O ATOM 0 H TYR A 81 0.074 7.041 0.173 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.444 6.359 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.092 6.426 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.832 8.144 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.611 9.749 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.686 5.626 -2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.525 10.240 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.596 6.130 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.926 9.237 -5.252 1.00 0.00 H new ATOM 1225 N GLU A 82 0.050 9.572 -2.056 1.00 0.00 N ATOM 1226 CA GLU A 82 0.292 10.817 -2.765 1.00 0.00 C ATOM 1227 C GLU A 82 1.404 10.632 -3.800 1.00 0.00 C ATOM 1228 O GLU A 82 1.186 10.831 -4.994 1.00 0.00 O ATOM 1229 CB GLU A 82 0.633 11.946 -1.791 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.636 12.548 -1.184 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.589 14.077 -1.219 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.730 14.624 -2.334 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.412 14.665 -0.130 1.00 0.00 O ATOM 0 H GLU A 82 0.170 9.627 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.622 11.097 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.275 11.565 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.195 12.722 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.509 12.195 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.748 12.208 -0.155 1.00 0.00 H new ATOM 1240 N LEU A 83 2.573 10.252 -3.304 1.00 0.00 N ATOM 1241 CA LEU A 83 3.719 10.037 -4.170 1.00 0.00 C ATOM 1242 C LEU A 83 3.329 9.078 -5.296 1.00 0.00 C ATOM 1243 O LEU A 83 3.679 9.300 -6.454 1.00 0.00 O ATOM 1244 CB LEU A 83 4.927 9.570 -3.355 1.00 0.00 C ATOM 1245 CG LEU A 83 5.947 10.650 -2.988 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.251 11.970 -2.651 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.861 10.179 -1.856 1.00 0.00 C ATOM 0 H LEU A 83 2.751 10.088 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 83 4.023 10.973 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.564 9.113 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.440 8.790 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 83 6.579 10.832 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.999 12.720 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.678 12.310 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.580 11.822 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.576 10.965 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.261 9.951 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.398 9.284 -2.170 1.00 0.00 H new ATOM 1259 N PHE A 84 2.610 8.031 -4.917 1.00 0.00 N ATOM 1260 CA PHE A 84 2.169 7.037 -5.880 1.00 0.00 C ATOM 1261 C PHE A 84 1.375 7.688 -7.015 1.00 0.00 C ATOM 1262 O PHE A 84 1.666 7.464 -8.189 1.00 0.00 O ATOM 1263 CB PHE A 84 1.259 6.061 -5.132 1.00 0.00 C ATOM 1264 CG PHE A 84 1.091 4.709 -5.827 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.993 3.715 -5.608 1.00 0.00 C ATOM 1266 CD2 PHE A 84 0.040 4.501 -6.664 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.837 2.460 -6.253 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.117 3.246 -7.310 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.785 2.252 -7.091 1.00 0.00 C ATOM 0 H PHE A 84 2.322 7.850 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 84 3.032 6.535 -6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.663 5.897 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.277 6.518 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.828 3.880 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.676 5.291 -6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.553 1.670 -6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.952 3.081 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.666 1.297 -7.582 1.00 0.00 H new ATOM 1279 N VAL A 85 0.388 8.481 -6.625 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.450 9.165 -7.594 1.00 0.00 C ATOM 1281 C VAL A 85 0.422 10.070 -8.467 1.00 0.00 C ATOM 1282 O VAL A 85 0.319 10.044 -9.692 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.568 9.924 -6.876 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.291 11.429 -6.868 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.929 9.621 -7.506 1.00 0.00 C ATOM 0 H VAL A 85 0.150 8.665 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.935 8.446 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.594 9.582 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.100 11.945 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.350 11.623 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.225 11.792 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.706 10.173 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.920 9.921 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.132 8.552 -7.437 1.00 0.00 H new ATOM 1295 N GLU A 86 1.262 10.850 -7.801 1.00 0.00 N ATOM 1296 CA GLU A 86 2.151 11.761 -8.501 1.00 0.00 C ATOM 1297 C GLU A 86 2.837 11.044 -9.665 1.00 0.00 C ATOM 1298 O GLU A 86 2.755 11.490 -10.808 1.00 0.00 O ATOM 1299 CB GLU A 86 3.182 12.364 -7.544 1.00 0.00 C ATOM 1300 CG GLU A 86 3.045 13.886 -7.479 1.00 0.00 C ATOM 1301 CD GLU A 86 4.116 14.495 -6.571 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.303 14.178 -6.802 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.724 15.263 -5.666 1.00 0.00 O ATOM 0 H GLU A 86 1.345 10.869 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 86 1.556 12.580 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.050 11.941 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.187 12.099 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.131 14.306 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.055 14.150 -7.107 1.00 0.00 H new ATOM 1310 N ALA A 87 3.498 9.945 -9.334 1.00 0.00 N ATOM 1311 CA ALA A 87 4.198 9.162 -10.338 1.00 0.00 C ATOM 1312 C ALA A 87 3.186 8.605 -11.341 1.00 0.00 C ATOM 1313 O ALA A 87 3.288 8.863 -12.540 1.00 0.00 O ATOM 1314 CB ALA A 87 5.007 8.058 -9.653 1.00 0.00 C ATOM 0 H ALA A 87 3.564 9.578 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 87 4.900 9.787 -10.890 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.532 7.471 -10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.731 8.506 -8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.335 7.410 -9.091 1.00 0.00 H new ATOM 1320 N VAL A 88 2.232 7.851 -10.815 1.00 0.00 N ATOM 1321 CA VAL A 88 1.202 7.256 -11.649 1.00 0.00 C ATOM 1322 C VAL A 88 0.719 8.289 -12.670 1.00 0.00 C ATOM 1323 O VAL A 88 0.712 8.024 -13.871 1.00 0.00 O ATOM 1324 CB VAL A 88 0.073 6.706 -10.775 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.216 6.544 -11.583 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.481 5.384 -10.122 1.00 0.00 C ATOM 0 H VAL A 88 2.151 7.638 -9.821 1.00 0.00 H new ATOM 0 HA VAL A 88 1.604 6.410 -12.207 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.118 7.427 -9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.003 6.152 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.521 7.512 -11.979 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.044 5.852 -12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.339 5.014 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.712 4.652 -10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.361 5.543 -9.498 1.00 0.00 H new ATOM 1336 N GLU A 89 0.326 9.444 -12.154 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.158 10.518 -13.005 1.00 0.00 C ATOM 1338 C GLU A 89 0.949 10.982 -13.955 1.00 0.00 C ATOM 1339 O GLU A 89 0.707 11.184 -15.144 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.688 11.684 -12.169 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.914 11.264 -11.357 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.125 12.134 -11.702 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.200 13.249 -11.141 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.947 11.665 -12.518 1.00 0.00 O ATOM 0 H GLU A 89 0.333 9.660 -11.157 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.986 10.137 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.093 12.039 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.948 12.516 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.145 10.218 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.695 11.345 -10.292 1.00 0.00 H new ATOM 1351 N GLN A 90 2.139 11.138 -13.394 1.00 0.00 N ATOM 1352 CA GLN A 90 3.284 11.575 -14.175 1.00 0.00 C ATOM 1353 C GLN A 90 3.683 10.494 -15.181 1.00 0.00 C ATOM 1354 O GLN A 90 4.523 10.728 -16.049 1.00 0.00 O ATOM 1355 CB GLN A 90 4.460 11.941 -13.268 1.00 0.00 C ATOM 1356 CG GLN A 90 4.267 13.329 -12.654 1.00 0.00 C ATOM 1357 CD GLN A 90 4.186 14.403 -13.740 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.095 14.592 -14.532 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.049 15.094 -13.734 1.00 0.00 N ATOM 0 H GLN A 90 2.335 10.970 -12.407 1.00 0.00 H new ATOM 0 HA GLN A 90 3.002 12.472 -14.727 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.557 11.199 -12.475 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.387 11.919 -13.841 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.356 13.342 -12.056 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.094 13.550 -11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.329 14.885 -13.043 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.898 15.833 -14.420 1.00 0.00 H new ATOM 1368 N ASP A 91 3.063 9.332 -15.031 1.00 0.00 N ATOM 1369 CA ASP A 91 3.344 8.214 -15.915 1.00 0.00 C ATOM 1370 C ASP A 91 4.752 7.687 -15.633 1.00 0.00 C ATOM 1371 O ASP A 91 5.409 7.152 -16.525 1.00 0.00 O ATOM 1372 CB ASP A 91 3.286 8.645 -17.382 1.00 0.00 C ATOM 1373 CG ASP A 91 2.566 7.668 -18.315 1.00 0.00 C ATOM 1374 OD1 ASP A 91 2.492 6.477 -17.942 1.00 0.00 O ATOM 1375 OD2 ASP A 91 2.106 8.134 -19.380 1.00 0.00 O ATOM 0 H ASP A 91 2.367 9.141 -14.310 1.00 0.00 H new ATOM 0 HA ASP A 91 2.594 7.444 -15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.789 9.613 -17.441 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.304 8.786 -17.744 1.00 0.00 H new ATOM 1380 N THR A 92 5.173 7.855 -14.388 1.00 0.00 N ATOM 1381 CA THR A 92 6.491 7.403 -13.977 1.00 0.00 C ATOM 1382 C THR A 92 6.389 6.534 -12.722 1.00 0.00 C ATOM 1383 O THR A 92 7.258 6.588 -11.852 1.00 0.00 O ATOM 1384 CB THR A 92 7.378 8.636 -13.792 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.632 9.472 -12.911 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.505 9.463 -15.073 1.00 0.00 C ATOM 0 H THR A 92 4.625 8.298 -13.651 1.00 0.00 H new ATOM 0 HA THR A 92 6.946 6.769 -14.738 1.00 0.00 H new ATOM 0 HB THR A 92 8.369 8.324 -13.462 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.135 10.294 -12.736 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.145 10.326 -14.887 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.943 8.849 -15.860 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.518 9.804 -15.386 1.00 0.00 H new ATOM 1394 N LEU A 93 5.321 5.753 -12.667 1.00 0.00 N ATOM 1395 CA LEU A 93 5.094 4.873 -11.533 1.00 0.00 C ATOM 1396 C LEU A 93 6.242 3.867 -11.435 1.00 0.00 C ATOM 1397 O LEU A 93 6.517 3.336 -10.360 1.00 0.00 O ATOM 1398 CB LEU A 93 3.712 4.223 -11.627 1.00 0.00 C ATOM 1399 CG LEU A 93 3.414 3.129 -10.599 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.130 3.734 -9.223 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.275 2.225 -11.075 1.00 0.00 C ATOM 0 H LEU A 93 4.602 5.711 -13.390 1.00 0.00 H new ATOM 0 HA LEU A 93 5.090 5.443 -10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.958 5.003 -11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.600 3.797 -12.624 1.00 0.00 H new ATOM 0 HG LEU A 93 4.300 2.503 -10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.921 2.936 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.999 4.301 -8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.267 4.397 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.083 1.456 -10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.374 2.821 -11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.555 1.753 -12.017 1.00 0.00 H new ATOM 1413 N GLN A 94 6.882 3.636 -12.572 1.00 0.00 N ATOM 1414 CA GLN A 94 7.995 2.703 -12.628 1.00 0.00 C ATOM 1415 C GLN A 94 9.231 3.310 -11.961 1.00 0.00 C ATOM 1416 O GLN A 94 9.991 2.606 -11.298 1.00 0.00 O ATOM 1417 CB GLN A 94 8.295 2.294 -14.072 1.00 0.00 C ATOM 1418 CG GLN A 94 7.283 1.262 -14.572 1.00 0.00 C ATOM 1419 CD GLN A 94 6.421 1.840 -15.696 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.332 3.041 -15.890 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.793 0.921 -16.424 1.00 0.00 N ATOM 0 H GLN A 94 6.651 4.079 -13.461 1.00 0.00 H new ATOM 0 HA GLN A 94 7.717 1.802 -12.080 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.270 3.174 -14.715 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.302 1.881 -14.135 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.808 0.376 -14.930 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.646 0.943 -13.747 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.911 -0.069 -16.208 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.193 1.206 -17.198 1.00 0.00 H new ATOM 1430 N GLU A 95 9.393 4.609 -12.161 1.00 0.00 N ATOM 1431 CA GLU A 95 10.524 5.319 -11.587 1.00 0.00 C ATOM 1432 C GLU A 95 10.401 5.369 -10.063 1.00 0.00 C ATOM 1433 O GLU A 95 11.309 4.948 -9.349 1.00 0.00 O ATOM 1434 CB GLU A 95 10.643 6.727 -12.174 1.00 0.00 C ATOM 1435 CG GLU A 95 11.655 6.758 -13.322 1.00 0.00 C ATOM 1436 CD GLU A 95 12.061 8.195 -13.655 1.00 0.00 C ATOM 1437 OE1 GLU A 95 13.017 8.679 -13.011 1.00 0.00 O ATOM 1438 OE2 GLU A 95 11.406 8.778 -14.546 1.00 0.00 O ATOM 0 H GLU A 95 8.760 5.189 -12.712 1.00 0.00 H new ATOM 0 HA GLU A 95 11.435 4.777 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.669 7.059 -12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.950 7.425 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.538 6.181 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.225 6.284 -14.204 1.00 0.00 H new ATOM 1445 N PHE A 96 9.269 5.889 -9.609 1.00 0.00 N ATOM 1446 CA PHE A 96 9.016 6.000 -8.183 1.00 0.00 C ATOM 1447 C PHE A 96 9.378 4.702 -7.459 1.00 0.00 C ATOM 1448 O PHE A 96 10.083 4.725 -6.451 1.00 0.00 O ATOM 1449 CB PHE A 96 7.518 6.263 -8.014 1.00 0.00 C ATOM 1450 CG PHE A 96 7.034 6.196 -6.564 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.608 6.986 -5.618 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.030 5.345 -6.221 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.159 6.924 -4.272 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.581 5.283 -4.875 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.155 6.074 -3.929 1.00 0.00 C ATOM 0 H PHE A 96 8.518 6.238 -10.204 1.00 0.00 H new ATOM 0 HA PHE A 96 9.621 6.802 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.284 7.248 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.963 5.535 -8.606 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.406 7.661 -5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.574 4.717 -6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.615 7.552 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.784 4.608 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.813 6.027 -2.906 1.00 0.00 H new ATOM 1465 N LEU A 97 8.880 3.600 -8.001 1.00 0.00 N ATOM 1466 CA LEU A 97 9.142 2.295 -7.419 1.00 0.00 C ATOM 1467 C LEU A 97 10.558 1.851 -7.792 1.00 0.00 C ATOM 1468 O LEU A 97 11.235 2.516 -8.574 1.00 0.00 O ATOM 1469 CB LEU A 97 8.057 1.298 -7.829 1.00 0.00 C ATOM 1470 CG LEU A 97 6.612 1.778 -7.678 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.644 0.842 -8.404 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.244 1.951 -6.203 1.00 0.00 C ATOM 0 H LEU A 97 8.296 3.584 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 97 9.099 2.347 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.220 1.022 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.182 0.392 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 97 6.526 2.757 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.624 1.206 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.893 0.813 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.724 -0.161 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.212 2.293 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.351 0.997 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.906 2.687 -5.747 1.00 0.00 H new ATOM 1484 N LYS A 98 10.964 0.730 -7.213 1.00 0.00 N ATOM 1485 CA LYS A 98 12.287 0.189 -7.475 1.00 0.00 C ATOM 1486 C LYS A 98 12.222 -0.741 -8.687 1.00 0.00 C ATOM 1487 O LYS A 98 12.719 -1.866 -8.639 1.00 0.00 O ATOM 1488 CB LYS A 98 12.852 -0.477 -6.218 1.00 0.00 C ATOM 1489 CG LYS A 98 14.115 0.241 -5.738 1.00 0.00 C ATOM 1490 CD LYS A 98 13.801 1.674 -5.306 1.00 0.00 C ATOM 1491 CE LYS A 98 15.086 2.454 -5.018 1.00 0.00 C ATOM 1492 NZ LYS A 98 15.875 2.627 -6.258 1.00 0.00 N ATOM 0 H LYS A 98 10.400 0.182 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 98 12.983 0.990 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.101 -0.467 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.081 -1.522 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.554 -0.306 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.857 0.253 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.233 2.177 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.173 1.660 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.840 3.429 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.680 1.926 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.542 3.416 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.404 1.754 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.235 2.833 -7.051 1.00 0.00 H new ATOM 1506 N LEU A 99 11.607 -0.238 -9.747 1.00 0.00 N ATOM 1507 CA LEU A 99 11.471 -1.010 -10.971 1.00 0.00 C ATOM 1508 C LEU A 99 12.545 -0.571 -11.968 1.00 0.00 C ATOM 1509 O LEU A 99 13.247 -1.405 -12.537 1.00 0.00 O ATOM 1510 CB LEU A 99 10.046 -0.903 -11.516 1.00 0.00 C ATOM 1511 CG LEU A 99 8.928 -1.326 -10.560 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.557 -1.185 -11.223 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.166 -2.741 -10.030 1.00 0.00 C ATOM 0 H LEU A 99 11.197 0.695 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 99 11.633 -2.069 -10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.869 0.130 -11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.976 -1.512 -12.417 1.00 0.00 H new ATOM 0 HG LEU A 99 8.941 -0.655 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.781 -1.492 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.397 -0.146 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.515 -1.817 -12.110 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.357 -3.017 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.196 -3.442 -10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.115 -2.774 -9.494 1.00 0.00 H new ATOM 1525 N ALA A 100 12.640 0.738 -12.148 1.00 0.00 N ATOM 1526 CA ALA A 100 13.617 1.299 -13.067 1.00 0.00 C ATOM 1527 C ALA A 100 14.317 2.483 -12.399 1.00 0.00 C ATOM 1528 O ALA A 100 14.666 2.419 -11.221 1.00 0.00 O ATOM 1529 CB ALA A 100 12.923 1.692 -14.373 1.00 0.00 C ATOM 0 H ALA A 100 12.057 1.427 -11.673 1.00 0.00 H new ATOM 0 HA ALA A 100 14.381 0.561 -13.313 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.655 2.113 -15.062 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.467 0.810 -14.822 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.152 2.434 -14.166 1.00 0.00 H new TER 1535 ALA A 100