USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 993 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 17 GLN : amide:sc= -0.0826 X(o=-1.2,f=-1.2) USER MOD Set 1.2: A 115 TYR OH : rot -107:sc= -1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.148 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 105:sc= -0.597! USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= -1.04 (180deg=-3.55!) USER MOD Single : A 21 THR OG1 : rot 105:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.7) USER MOD Single : A 33 SER OG : rot 130:sc= -0.239 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -2.8 K(o=-2.8,f=-5.1!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=-0.0033) USER MOD Single : A 52 LYS NZ :NH3+ 140:sc= 1.14 (180deg=-0.975) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= -3.93! (180deg=-5.29!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.72! USER MOD Single : A 79 ASN : amide:sc= -0.685 K(o=-0.69,f=-3.5!) USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= -0.0959 (180deg=-0.707) USER MOD Single : A 83 CYS SG : rot 39:sc= 0.803 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 88 MET CE :methyl -173:sc= -2.46 (180deg=-2.6) USER MOD Single : A 89 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.22) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -5.18! C(o=-5.2!,f=-13!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.653 K(o=-0.65,f=-6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 68:sc= 0.413 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -3.53! C(o=-3.5!,f=-9.5!) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 129 HIS : no HD1:sc= -0.245 K(o=-0.24,f=-1.1) USER MOD Single : A 130 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.067) USER MOD Single : A 131 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.22) USER MOD Single : A 132 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.392 0.315 -1.240 1.00 0.00 N ATOM 2 CA MET A 1 -26.439 -0.590 -0.687 1.00 0.00 C ATOM 3 C MET A 1 -27.795 0.118 -0.724 1.00 0.00 C ATOM 4 O MET A 1 -28.652 -0.200 -1.525 1.00 0.00 O ATOM 5 CB MET A 1 -26.090 -0.952 0.759 1.00 0.00 C ATOM 6 CG MET A 1 -25.756 -2.442 0.849 1.00 0.00 C ATOM 7 SD MET A 1 -24.273 -2.790 -0.131 1.00 0.00 S ATOM 8 CE MET A 1 -24.102 -4.532 0.327 1.00 0.00 C ATOM 0 H1 MET A 1 -24.470 -0.165 -1.215 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.629 0.560 -2.223 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.346 1.183 -0.668 1.00 0.00 H new ATOM 0 HA MET A 1 -26.487 -1.499 -1.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.242 -0.358 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.927 -0.716 1.416 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.593 -2.727 1.888 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.594 -3.036 0.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.232 -4.956 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.975 -4.614 1.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.996 -5.077 0.025 1.00 0.00 H new ATOM 20 N SER A 2 -27.997 1.077 0.138 1.00 0.00 N ATOM 21 CA SER A 2 -29.298 1.804 0.154 1.00 0.00 C ATOM 22 C SER A 2 -29.071 3.250 0.601 1.00 0.00 C ATOM 23 O SER A 2 -28.188 3.536 1.385 1.00 0.00 O ATOM 24 CB SER A 2 -30.253 1.114 1.128 1.00 0.00 C ATOM 25 OG SER A 2 -29.854 -0.241 1.295 1.00 0.00 O ATOM 0 H SER A 2 -27.317 1.388 0.832 1.00 0.00 H new ATOM 0 HA SER A 2 -29.730 1.798 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.246 1.629 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.274 1.161 0.749 1.00 0.00 H new ATOM 0 HG SER A 2 -30.463 -0.687 1.920 1.00 0.00 H new ATOM 31 N HIS A 3 -29.860 4.165 0.107 1.00 0.00 N ATOM 32 CA HIS A 3 -29.688 5.593 0.503 1.00 0.00 C ATOM 33 C HIS A 3 -29.282 5.671 1.976 1.00 0.00 C ATOM 34 O HIS A 3 -30.033 5.305 2.858 1.00 0.00 O ATOM 35 CB HIS A 3 -31.007 6.341 0.298 1.00 0.00 C ATOM 36 CG HIS A 3 -31.110 6.792 -1.133 1.00 0.00 C ATOM 37 ND1 HIS A 3 -31.163 8.133 -1.485 1.00 0.00 N ATOM 38 CD2 HIS A 3 -31.173 6.091 -2.313 1.00 0.00 C ATOM 39 CE1 HIS A 3 -31.253 8.197 -2.827 1.00 0.00 C ATOM 40 NE2 HIS A 3 -31.263 6.981 -3.376 1.00 0.00 N ATOM 0 H HIS A 3 -30.616 3.986 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 3 -28.911 6.048 -0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -31.847 5.693 0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -31.058 7.201 0.966 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -31.155 5.015 -2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -31.310 9.118 -3.389 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -31.324 6.753 -4.368 1.00 0.00 H new ATOM 48 N GLN A 4 -28.097 6.146 2.249 1.00 0.00 N ATOM 49 CA GLN A 4 -27.642 6.249 3.665 1.00 0.00 C ATOM 50 C GLN A 4 -27.197 7.684 3.954 1.00 0.00 C ATOM 51 O GLN A 4 -27.952 8.622 3.792 1.00 0.00 O ATOM 52 CB GLN A 4 -26.468 5.294 3.894 1.00 0.00 C ATOM 53 CG GLN A 4 -26.232 5.122 5.395 1.00 0.00 C ATOM 54 CD GLN A 4 -26.667 3.719 5.823 1.00 0.00 C ATOM 55 OE1 GLN A 4 -27.818 3.498 6.141 1.00 0.00 O ATOM 56 NE2 GLN A 4 -25.788 2.754 5.845 1.00 0.00 N ATOM 0 H GLN A 4 -27.424 6.467 1.553 1.00 0.00 H new ATOM 0 HA GLN A 4 -28.462 5.982 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -26.677 4.328 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -25.569 5.685 3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -25.178 5.274 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -26.793 5.873 5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -24.821 2.939 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -26.068 1.815 6.129 1.00 0.00 H new ATOM 65 N ASP A 5 -25.977 7.863 4.382 1.00 0.00 N ATOM 66 CA ASP A 5 -25.487 9.238 4.680 1.00 0.00 C ATOM 67 C ASP A 5 -24.465 9.656 3.621 1.00 0.00 C ATOM 68 O ASP A 5 -24.708 9.546 2.435 1.00 0.00 O ATOM 69 CB ASP A 5 -24.830 9.254 6.062 1.00 0.00 C ATOM 70 CG ASP A 5 -25.804 8.687 7.096 1.00 0.00 C ATOM 71 OD1 ASP A 5 -26.963 9.064 7.060 1.00 0.00 O ATOM 72 OD2 ASP A 5 -25.373 7.883 7.908 1.00 0.00 O ATOM 0 H ASP A 5 -25.299 7.117 4.538 1.00 0.00 H new ATOM 0 HA ASP A 5 -26.325 9.935 4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -23.914 8.664 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -24.549 10.272 6.331 1.00 0.00 H new ATOM 77 N ASP A 6 -23.324 10.137 4.035 1.00 0.00 N ATOM 78 CA ASP A 6 -22.294 10.562 3.046 1.00 0.00 C ATOM 79 C ASP A 6 -20.919 10.602 3.718 1.00 0.00 C ATOM 80 O ASP A 6 -20.647 11.451 4.543 1.00 0.00 O ATOM 81 CB ASP A 6 -22.644 11.954 2.514 1.00 0.00 C ATOM 82 CG ASP A 6 -21.585 12.398 1.504 1.00 0.00 C ATOM 83 OD1 ASP A 6 -21.698 12.018 0.351 1.00 0.00 O ATOM 84 OD2 ASP A 6 -20.678 13.111 1.901 1.00 0.00 O ATOM 0 H ASP A 6 -23.061 10.254 5.014 1.00 0.00 H new ATOM 0 HA ASP A 6 -22.270 9.851 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -23.627 11.938 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -22.697 12.666 3.337 1.00 0.00 H new ATOM 89 N TYR A 7 -20.050 9.692 3.371 1.00 0.00 N ATOM 90 CA TYR A 7 -18.694 9.681 3.987 1.00 0.00 C ATOM 91 C TYR A 7 -17.687 10.291 3.009 1.00 0.00 C ATOM 92 O TYR A 7 -18.045 10.752 1.944 1.00 0.00 O ATOM 93 CB TYR A 7 -18.285 8.241 4.307 1.00 0.00 C ATOM 94 CG TYR A 7 -17.145 8.247 5.298 1.00 0.00 C ATOM 95 CD1 TYR A 7 -17.313 8.840 6.555 1.00 0.00 C ATOM 96 CD2 TYR A 7 -15.918 7.662 4.959 1.00 0.00 C ATOM 97 CE1 TYR A 7 -16.255 8.847 7.473 1.00 0.00 C ATOM 98 CE2 TYR A 7 -14.862 7.668 5.877 1.00 0.00 C ATOM 99 CZ TYR A 7 -15.030 8.261 7.134 1.00 0.00 C ATOM 100 OH TYR A 7 -13.988 8.268 8.038 1.00 0.00 O ATOM 0 H TYR A 7 -20.221 8.955 2.687 1.00 0.00 H new ATOM 0 HA TYR A 7 -18.710 10.265 4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -19.134 7.694 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -17.984 7.726 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -18.258 9.292 6.817 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -15.787 7.206 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -16.385 9.305 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -13.917 7.215 5.616 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.211 7.819 7.645 1.00 0.00 H new ATOM 110 N LEU A 8 -16.430 10.297 3.360 1.00 0.00 N ATOM 111 CA LEU A 8 -15.406 10.877 2.448 1.00 0.00 C ATOM 112 C LEU A 8 -14.508 9.755 1.920 1.00 0.00 C ATOM 113 O LEU A 8 -14.630 9.327 0.790 1.00 0.00 O ATOM 114 CB LEU A 8 -14.555 11.896 3.211 1.00 0.00 C ATOM 115 CG LEU A 8 -15.462 12.791 4.062 1.00 0.00 C ATOM 116 CD1 LEU A 8 -15.035 12.708 5.529 1.00 0.00 C ATOM 117 CD2 LEU A 8 -15.345 14.241 3.585 1.00 0.00 C ATOM 0 H LEU A 8 -16.069 9.925 4.239 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.901 11.375 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.836 11.380 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.982 12.503 2.510 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.494 12.455 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.681 13.345 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.117 11.677 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.002 13.042 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.991 14.877 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.312 14.574 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.649 14.306 2.540 1.00 0.00 H new ATOM 129 N SER A 9 -13.607 9.274 2.732 1.00 0.00 N ATOM 130 CA SER A 9 -12.706 8.179 2.280 1.00 0.00 C ATOM 131 C SER A 9 -11.569 8.764 1.441 1.00 0.00 C ATOM 132 O SER A 9 -10.407 8.623 1.769 1.00 0.00 O ATOM 133 CB SER A 9 -13.500 7.180 1.437 1.00 0.00 C ATOM 134 OG SER A 9 -14.874 7.259 1.789 1.00 0.00 O ATOM 0 H SER A 9 -13.457 9.593 3.689 1.00 0.00 H new ATOM 0 HA SER A 9 -12.290 7.671 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.371 7.397 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.127 6.169 1.603 1.00 0.00 H new ATOM 0 HG SER A 9 -15.365 7.733 1.086 1.00 0.00 H new ATOM 140 N VAL A 10 -11.891 9.419 0.360 1.00 0.00 N ATOM 141 CA VAL A 10 -10.825 10.009 -0.496 1.00 0.00 C ATOM 142 C VAL A 10 -9.899 10.875 0.360 1.00 0.00 C ATOM 143 O VAL A 10 -8.741 11.062 0.044 1.00 0.00 O ATOM 144 CB VAL A 10 -11.465 10.867 -1.590 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.105 9.959 -2.640 1.00 0.00 C ATOM 146 CG2 VAL A 10 -12.538 11.766 -0.971 1.00 0.00 C ATOM 0 H VAL A 10 -12.845 9.571 0.033 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.246 9.208 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.701 11.485 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.561 10.569 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.341 9.318 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.870 9.341 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.994 12.377 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.303 11.148 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.082 12.413 -0.222 1.00 0.00 H new ATOM 156 N GLU A 11 -10.400 11.405 1.443 1.00 0.00 N ATOM 157 CA GLU A 11 -9.545 12.258 2.319 1.00 0.00 C ATOM 158 C GLU A 11 -8.503 11.382 3.019 1.00 0.00 C ATOM 159 O GLU A 11 -7.316 11.513 2.794 1.00 0.00 O ATOM 160 CB GLU A 11 -10.420 12.949 3.367 1.00 0.00 C ATOM 161 CG GLU A 11 -9.669 14.147 3.950 1.00 0.00 C ATOM 162 CD GLU A 11 -10.318 15.444 3.459 1.00 0.00 C ATOM 163 OE1 GLU A 11 -11.392 15.765 3.940 1.00 0.00 O ATOM 164 OE2 GLU A 11 -9.730 16.092 2.610 1.00 0.00 O ATOM 0 H GLU A 11 -11.362 11.285 1.759 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.040 13.012 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.356 13.278 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.678 12.247 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.689 14.107 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.622 14.115 3.649 1.00 0.00 H new ATOM 171 N GLU A 12 -8.937 10.489 3.868 1.00 0.00 N ATOM 172 CA GLU A 12 -7.970 9.607 4.581 1.00 0.00 C ATOM 173 C GLU A 12 -6.921 9.099 3.590 1.00 0.00 C ATOM 174 O GLU A 12 -5.736 9.300 3.767 1.00 0.00 O ATOM 175 CB GLU A 12 -8.716 8.417 5.188 1.00 0.00 C ATOM 176 CG GLU A 12 -10.213 8.727 5.249 1.00 0.00 C ATOM 177 CD GLU A 12 -10.437 10.001 6.068 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.459 10.658 6.385 1.00 0.00 O ATOM 179 OE2 GLU A 12 -11.583 10.297 6.364 1.00 0.00 O ATOM 0 H GLU A 12 -9.918 10.333 4.098 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.480 10.171 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.544 7.523 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.336 8.209 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.610 8.855 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.750 7.893 5.700 1.00 0.00 H new ATOM 186 N LEU A 13 -7.347 8.441 2.547 1.00 0.00 N ATOM 187 CA LEU A 13 -6.375 7.920 1.544 1.00 0.00 C ATOM 188 C LEU A 13 -5.435 9.047 1.114 1.00 0.00 C ATOM 189 O LEU A 13 -4.235 8.970 1.287 1.00 0.00 O ATOM 190 CB LEU A 13 -7.135 7.397 0.323 1.00 0.00 C ATOM 191 CG LEU A 13 -8.175 6.369 0.770 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.906 5.814 -0.454 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.474 5.223 1.506 1.00 0.00 C ATOM 0 H LEU A 13 -8.327 8.241 2.346 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.794 7.110 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.623 8.222 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.440 6.943 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.894 6.847 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.647 5.081 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.404 6.628 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.188 5.337 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.214 4.489 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.756 4.747 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.953 5.616 2.379 1.00 0.00 H new ATOM 205 N ILE A 14 -5.973 10.096 0.553 1.00 0.00 N ATOM 206 CA ILE A 14 -5.113 11.228 0.109 1.00 0.00 C ATOM 207 C ILE A 14 -4.098 11.561 1.206 1.00 0.00 C ATOM 208 O ILE A 14 -2.920 11.709 0.948 1.00 0.00 O ATOM 209 CB ILE A 14 -5.987 12.453 -0.169 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.727 12.257 -1.496 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.105 13.700 -0.258 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.857 13.283 -1.611 1.00 0.00 C ATOM 0 H ILE A 14 -6.971 10.217 0.383 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.583 10.946 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.709 12.576 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.034 12.369 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.133 11.247 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.727 14.573 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.575 13.839 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.383 13.578 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.382 13.142 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.555 13.150 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.440 14.289 -1.575 1.00 0.00 H new ATOM 224 N GLU A 15 -4.544 11.679 2.427 1.00 0.00 N ATOM 225 CA GLU A 15 -3.600 12.000 3.534 1.00 0.00 C ATOM 226 C GLU A 15 -2.458 10.983 3.535 1.00 0.00 C ATOM 227 O GLU A 15 -1.295 11.339 3.551 1.00 0.00 O ATOM 228 CB GLU A 15 -4.340 11.939 4.872 1.00 0.00 C ATOM 229 CG GLU A 15 -4.050 13.208 5.676 1.00 0.00 C ATOM 230 CD GLU A 15 -4.307 12.944 7.160 1.00 0.00 C ATOM 231 OE1 GLU A 15 -4.956 11.956 7.462 1.00 0.00 O ATOM 232 OE2 GLU A 15 -3.850 13.733 7.970 1.00 0.00 O ATOM 0 H GLU A 15 -5.519 11.567 2.705 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.197 13.002 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.412 11.841 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.025 11.060 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.016 13.518 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.682 14.025 5.327 1.00 0.00 H new ATOM 239 N ILE A 16 -2.778 9.719 3.517 1.00 0.00 N ATOM 240 CA ILE A 16 -1.710 8.682 3.515 1.00 0.00 C ATOM 241 C ILE A 16 -0.869 8.829 2.245 1.00 0.00 C ATOM 242 O ILE A 16 0.278 8.433 2.199 1.00 0.00 O ATOM 243 CB ILE A 16 -2.345 7.290 3.553 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.107 7.117 4.869 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.251 6.226 3.456 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.041 5.909 4.767 1.00 0.00 C ATOM 0 H ILE A 16 -3.733 9.360 3.504 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.075 8.809 4.391 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.032 7.181 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.405 6.978 5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.682 8.016 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.704 5.235 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.705 6.350 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.563 6.334 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.583 5.788 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.752 6.066 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.455 5.012 4.568 1.00 0.00 H new ATOM 258 N GLN A 17 -1.432 9.400 1.215 1.00 0.00 N ATOM 259 CA GLN A 17 -0.663 9.578 -0.048 1.00 0.00 C ATOM 260 C GLN A 17 0.360 10.699 0.141 1.00 0.00 C ATOM 261 O GLN A 17 1.486 10.608 -0.307 1.00 0.00 O ATOM 262 CB GLN A 17 -1.622 9.945 -1.185 1.00 0.00 C ATOM 263 CG GLN A 17 -2.656 8.830 -1.358 1.00 0.00 C ATOM 264 CD GLN A 17 -2.076 7.726 -2.244 1.00 0.00 C ATOM 265 OE1 GLN A 17 -1.346 6.876 -1.776 1.00 0.00 O ATOM 266 NE2 GLN A 17 -2.373 7.703 -3.515 1.00 0.00 N ATOM 0 H GLN A 17 -2.390 9.750 1.194 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.148 8.650 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.122 10.888 -0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.067 10.088 -2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.932 8.422 -0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.566 9.230 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.986 8.417 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.992 6.971 -4.115 1.00 0.00 H new ATOM 275 N LYS A 18 -0.018 11.756 0.808 1.00 0.00 N ATOM 276 CA LYS A 18 0.937 12.876 1.030 1.00 0.00 C ATOM 277 C LYS A 18 2.102 12.378 1.887 1.00 0.00 C ATOM 278 O LYS A 18 3.228 12.804 1.730 1.00 0.00 O ATOM 279 CB LYS A 18 0.224 14.024 1.748 1.00 0.00 C ATOM 280 CG LYS A 18 -0.642 14.792 0.747 1.00 0.00 C ATOM 281 CD LYS A 18 -2.076 14.882 1.273 1.00 0.00 C ATOM 282 CE LYS A 18 -2.825 15.985 0.521 1.00 0.00 C ATOM 283 NZ LYS A 18 -4.146 16.221 1.169 1.00 0.00 N ATOM 0 H LYS A 18 -0.947 11.891 1.208 1.00 0.00 H new ATOM 0 HA LYS A 18 1.314 13.233 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.395 13.633 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.955 14.693 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.237 15.792 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.629 14.290 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.584 13.927 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.070 15.095 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.238 16.904 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.965 15.698 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.890 16.239 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.342 15.457 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.129 17.132 1.670 1.00 0.00 H new ATOM 297 N GLU A 19 1.838 11.473 2.791 1.00 0.00 N ATOM 298 CA GLU A 19 2.931 10.943 3.655 1.00 0.00 C ATOM 299 C GLU A 19 3.828 10.021 2.827 1.00 0.00 C ATOM 300 O GLU A 19 4.968 10.336 2.547 1.00 0.00 O ATOM 301 CB GLU A 19 2.326 10.156 4.819 1.00 0.00 C ATOM 302 CG GLU A 19 1.755 11.130 5.851 1.00 0.00 C ATOM 303 CD GLU A 19 0.752 10.397 6.745 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.187 9.598 7.558 1.00 0.00 O ATOM 305 OE2 GLU A 19 -0.433 10.647 6.599 1.00 0.00 O ATOM 0 H GLU A 19 0.914 11.079 2.968 1.00 0.00 H new ATOM 0 HA GLU A 19 3.521 11.772 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.541 9.494 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.086 9.526 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.559 11.548 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.267 11.965 5.348 1.00 0.00 H new ATOM 312 N GLU A 20 3.323 8.883 2.432 1.00 0.00 N ATOM 313 CA GLU A 20 4.148 7.944 1.621 1.00 0.00 C ATOM 314 C GLU A 20 4.981 8.741 0.614 1.00 0.00 C ATOM 315 O GLU A 20 6.193 8.772 0.683 1.00 0.00 O ATOM 316 CB GLU A 20 3.230 6.974 0.873 1.00 0.00 C ATOM 317 CG GLU A 20 4.046 5.785 0.358 1.00 0.00 C ATOM 318 CD GLU A 20 3.382 4.479 0.802 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.278 4.266 1.999 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.990 3.713 -0.063 1.00 0.00 O ATOM 0 H GLU A 20 2.376 8.564 2.636 1.00 0.00 H new ATOM 0 HA GLU A 20 4.812 7.381 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.438 6.624 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.747 7.484 0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.113 5.820 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.065 5.836 0.742 1.00 0.00 H new ATOM 327 N THR A 21 4.338 9.389 -0.320 1.00 0.00 N ATOM 328 CA THR A 21 5.093 10.187 -1.327 1.00 0.00 C ATOM 329 C THR A 21 6.187 10.990 -0.620 1.00 0.00 C ATOM 330 O THR A 21 7.362 10.734 -0.783 1.00 0.00 O ATOM 331 CB THR A 21 4.134 11.145 -2.040 1.00 0.00 C ATOM 332 OG1 THR A 21 2.897 10.486 -2.268 1.00 0.00 O ATOM 333 CG2 THR A 21 4.739 11.577 -3.376 1.00 0.00 C ATOM 0 H THR A 21 3.324 9.400 -0.429 1.00 0.00 H new ATOM 0 HA THR A 21 5.547 9.518 -2.058 1.00 0.00 H new ATOM 0 HB THR A 21 3.970 12.026 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.229 10.814 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.055 12.259 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.689 12.081 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.905 10.700 -4.001 1.00 0.00 H new ATOM 341 N ARG A 22 5.806 11.958 0.168 1.00 0.00 N ATOM 342 CA ARG A 22 6.821 12.775 0.891 1.00 0.00 C ATOM 343 C ARG A 22 7.974 11.871 1.335 1.00 0.00 C ATOM 344 O ARG A 22 9.131 12.221 1.217 1.00 0.00 O ATOM 345 CB ARG A 22 6.164 13.426 2.114 1.00 0.00 C ATOM 346 CG ARG A 22 7.194 13.590 3.238 1.00 0.00 C ATOM 347 CD ARG A 22 6.587 14.413 4.376 1.00 0.00 C ATOM 348 NE ARG A 22 6.773 13.700 5.681 1.00 0.00 N ATOM 349 CZ ARG A 22 6.459 12.437 5.815 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.869 11.795 4.846 1.00 0.00 N ATOM 351 NH2 ARG A 22 6.710 11.825 6.940 1.00 0.00 N ATOM 0 H ARG A 22 4.835 12.218 0.342 1.00 0.00 H new ATOM 0 HA ARG A 22 7.210 13.553 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.753 14.398 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.331 12.813 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.502 12.612 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.088 14.083 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.059 15.394 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.526 14.578 4.190 1.00 0.00 H new ATOM 0 HE ARG A 22 7.152 14.209 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.649 12.277 3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.628 10.810 4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.149 12.331 7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.467 10.840 7.050 1.00 0.00 H new ATOM 365 N ASP A 23 7.667 10.709 1.846 1.00 0.00 N ATOM 366 CA ASP A 23 8.743 9.782 2.298 1.00 0.00 C ATOM 367 C ASP A 23 9.615 9.387 1.104 1.00 0.00 C ATOM 368 O ASP A 23 10.827 9.412 1.173 1.00 0.00 O ATOM 369 CB ASP A 23 8.110 8.527 2.905 1.00 0.00 C ATOM 370 CG ASP A 23 8.719 8.260 4.281 1.00 0.00 C ATOM 371 OD1 ASP A 23 8.955 9.217 5.000 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.941 7.102 4.595 1.00 0.00 O ATOM 0 H ASP A 23 6.716 10.362 1.970 1.00 0.00 H new ATOM 0 HA ASP A 23 9.360 10.279 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.031 8.657 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.275 7.671 2.251 1.00 0.00 H new ATOM 377 N ILE A 24 9.006 9.025 0.009 1.00 0.00 N ATOM 378 CA ILE A 24 9.801 8.631 -1.189 1.00 0.00 C ATOM 379 C ILE A 24 10.552 9.852 -1.720 1.00 0.00 C ATOM 380 O ILE A 24 11.765 9.863 -1.794 1.00 0.00 O ATOM 381 CB ILE A 24 8.861 8.097 -2.270 1.00 0.00 C ATOM 382 CG1 ILE A 24 8.128 6.864 -1.738 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.670 7.713 -3.511 1.00 0.00 C ATOM 384 CD1 ILE A 24 7.138 6.362 -2.791 1.00 0.00 C ATOM 0 H ILE A 24 7.994 8.985 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 24 10.516 7.854 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 24 8.137 8.868 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.844 6.079 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.600 7.111 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.998 7.333 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.195 8.590 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.395 6.942 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.617 5.484 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.414 7.146 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.677 6.098 -3.701 1.00 0.00 H new ATOM 396 N ILE A 25 9.843 10.884 -2.086 1.00 0.00 N ATOM 397 CA ILE A 25 10.521 12.103 -2.607 1.00 0.00 C ATOM 398 C ILE A 25 11.787 12.365 -1.790 1.00 0.00 C ATOM 399 O ILE A 25 12.848 12.609 -2.330 1.00 0.00 O ATOM 400 CB ILE A 25 9.580 13.302 -2.481 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.201 12.926 -3.028 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.141 14.480 -3.279 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.364 12.162 -4.343 1.00 0.00 C ATOM 0 H ILE A 25 8.825 10.935 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 25 10.784 11.955 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 25 9.492 13.585 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.665 12.313 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.605 13.824 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.469 15.334 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.123 14.748 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.231 14.199 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.382 11.894 -4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.882 12.790 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.944 11.256 -4.168 1.00 0.00 H new ATOM 415 N GLN A 26 11.684 12.313 -0.491 1.00 0.00 N ATOM 416 CA GLN A 26 12.878 12.559 0.365 1.00 0.00 C ATOM 417 C GLN A 26 13.980 11.560 0.006 1.00 0.00 C ATOM 418 O GLN A 26 15.131 11.918 -0.144 1.00 0.00 O ATOM 419 CB GLN A 26 12.493 12.381 1.835 1.00 0.00 C ATOM 420 CG GLN A 26 11.700 13.601 2.309 1.00 0.00 C ATOM 421 CD GLN A 26 12.530 14.391 3.323 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.192 13.814 4.164 1.00 0.00 O ATOM 423 NE2 GLN A 26 12.525 15.695 3.278 1.00 0.00 N ATOM 0 H GLN A 26 10.822 12.110 0.016 1.00 0.00 H new ATOM 0 HA GLN A 26 13.240 13.574 0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.897 11.477 1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.389 12.258 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.446 14.235 1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.761 13.283 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.970 16.179 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.077 16.231 3.948 1.00 0.00 H new ATOM 432 N ALA A 27 13.637 10.308 -0.130 1.00 0.00 N ATOM 433 CA ALA A 27 14.665 9.285 -0.475 1.00 0.00 C ATOM 434 C ALA A 27 15.281 9.613 -1.837 1.00 0.00 C ATOM 435 O ALA A 27 16.480 9.533 -2.021 1.00 0.00 O ATOM 436 CB ALA A 27 14.008 7.904 -0.531 1.00 0.00 C ATOM 0 H ALA A 27 12.689 9.949 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 27 15.447 9.287 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.758 7.154 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.572 7.669 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.225 7.904 -1.290 1.00 0.00 H new ATOM 442 N LEU A 28 14.473 9.977 -2.795 1.00 0.00 N ATOM 443 CA LEU A 28 15.017 10.305 -4.142 1.00 0.00 C ATOM 444 C LEU A 28 15.891 11.557 -4.052 1.00 0.00 C ATOM 445 O LEU A 28 17.081 11.512 -4.292 1.00 0.00 O ATOM 446 CB LEU A 28 13.862 10.555 -5.114 1.00 0.00 C ATOM 447 CG LEU A 28 13.013 9.288 -5.237 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.957 9.483 -6.325 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.912 8.106 -5.608 1.00 0.00 C ATOM 0 H LEU A 28 13.461 10.061 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 28 15.618 9.470 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.248 11.383 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.251 10.841 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 28 12.521 9.088 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.353 8.580 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.316 10.325 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.448 9.684 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.308 7.203 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.404 8.308 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.665 7.965 -4.833 1.00 0.00 H new ATOM 461 N LEU A 29 15.313 12.676 -3.708 1.00 0.00 N ATOM 462 CA LEU A 29 16.118 13.926 -3.605 1.00 0.00 C ATOM 463 C LEU A 29 17.359 13.661 -2.749 1.00 0.00 C ATOM 464 O LEU A 29 18.477 13.771 -3.211 1.00 0.00 O ATOM 465 CB LEU A 29 15.274 15.028 -2.958 1.00 0.00 C ATOM 466 CG LEU A 29 14.957 16.106 -3.998 1.00 0.00 C ATOM 467 CD1 LEU A 29 13.983 15.545 -5.036 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.322 17.313 -3.305 1.00 0.00 C ATOM 0 H LEU A 29 14.321 12.778 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 29 16.424 14.245 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.350 14.607 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.812 15.466 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 29 15.878 16.413 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.758 16.313 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.434 14.685 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.062 15.237 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.096 18.080 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.401 17.005 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.015 17.715 -2.566 1.00 0.00 H new ATOM 480 N GLU A 30 17.173 13.314 -1.504 1.00 0.00 N ATOM 481 CA GLU A 30 18.345 13.043 -0.625 1.00 0.00 C ATOM 482 C GLU A 30 19.387 12.238 -1.404 1.00 0.00 C ATOM 483 O GLU A 30 20.553 12.580 -1.437 1.00 0.00 O ATOM 484 CB GLU A 30 17.894 12.242 0.599 1.00 0.00 C ATOM 485 CG GLU A 30 19.048 12.151 1.601 1.00 0.00 C ATOM 486 CD GLU A 30 19.845 10.870 1.349 1.00 0.00 C ATOM 487 OE1 GLU A 30 19.885 10.435 0.210 1.00 0.00 O ATOM 488 OE2 GLU A 30 20.402 10.346 2.299 1.00 0.00 O ATOM 0 H GLU A 30 16.262 13.207 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 30 18.781 13.987 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.032 12.721 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.580 11.243 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.698 13.021 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.660 12.156 2.620 1.00 0.00 H new ATOM 495 N ASP A 31 18.977 11.169 -2.031 1.00 0.00 N ATOM 496 CA ASP A 31 19.944 10.343 -2.807 1.00 0.00 C ATOM 497 C ASP A 31 20.708 11.236 -3.786 1.00 0.00 C ATOM 498 O ASP A 31 21.909 11.125 -3.934 1.00 0.00 O ATOM 499 CB ASP A 31 19.185 9.268 -3.588 1.00 0.00 C ATOM 500 CG ASP A 31 20.163 8.187 -4.053 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.056 8.514 -4.819 1.00 0.00 O ATOM 502 OD2 ASP A 31 20.004 7.052 -3.635 1.00 0.00 O ATOM 0 H ASP A 31 18.014 10.832 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 31 20.647 9.869 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.410 8.827 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.684 9.714 -4.447 1.00 0.00 H new ATOM 507 N GLY A 32 20.023 12.124 -4.453 1.00 0.00 N ATOM 508 CA GLY A 32 20.714 13.025 -5.418 1.00 0.00 C ATOM 509 C GLY A 32 19.913 13.104 -6.721 1.00 0.00 C ATOM 510 O GLY A 32 20.349 13.691 -7.692 1.00 0.00 O ATOM 0 H GLY A 32 19.016 12.264 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.823 14.020 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.719 12.654 -5.620 1.00 0.00 H new ATOM 514 N SER A 33 18.745 12.522 -6.754 1.00 0.00 N ATOM 515 CA SER A 33 17.923 12.570 -7.996 1.00 0.00 C ATOM 516 C SER A 33 18.068 13.948 -8.648 1.00 0.00 C ATOM 517 O SER A 33 18.403 14.920 -8.000 1.00 0.00 O ATOM 518 CB SER A 33 16.456 12.321 -7.645 1.00 0.00 C ATOM 519 OG SER A 33 15.939 13.452 -6.957 1.00 0.00 O ATOM 0 H SER A 33 18.325 12.016 -5.975 1.00 0.00 H new ATOM 0 HA SER A 33 18.264 11.802 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.879 12.138 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.365 11.430 -7.024 1.00 0.00 H new ATOM 0 HG SER A 33 15.097 13.731 -7.373 1.00 0.00 H new ATOM 525 N ASP A 34 17.819 14.040 -9.927 1.00 0.00 N ATOM 526 CA ASP A 34 17.944 15.354 -10.620 1.00 0.00 C ATOM 527 C ASP A 34 16.606 15.716 -11.272 1.00 0.00 C ATOM 528 O ASP A 34 16.336 15.349 -12.397 1.00 0.00 O ATOM 529 CB ASP A 34 19.027 15.258 -11.699 1.00 0.00 C ATOM 530 CG ASP A 34 20.353 15.791 -11.149 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.408 16.089 -9.967 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.293 15.890 -11.921 1.00 0.00 O ATOM 0 H ASP A 34 17.534 13.262 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 34 18.216 16.123 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.145 14.223 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.730 15.831 -12.578 1.00 0.00 H new ATOM 537 N PRO A 35 15.775 16.432 -10.562 1.00 0.00 N ATOM 538 CA PRO A 35 14.435 16.858 -11.065 1.00 0.00 C ATOM 539 C PRO A 35 14.538 17.749 -12.307 1.00 0.00 C ATOM 540 O PRO A 35 13.546 18.230 -12.820 1.00 0.00 O ATOM 541 CB PRO A 35 13.822 17.642 -9.899 1.00 0.00 C ATOM 542 CG PRO A 35 14.636 17.297 -8.695 1.00 0.00 C ATOM 543 CD PRO A 35 16.023 16.915 -9.199 1.00 0.00 C ATOM 0 HA PRO A 35 13.835 16.000 -11.370 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.849 18.714 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.776 17.370 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.692 18.143 -8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.183 16.472 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.701 17.769 -9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.477 16.144 -8.577 1.00 0.00 H new ATOM 551 N ASP A 36 15.727 17.974 -12.794 1.00 0.00 N ATOM 552 CA ASP A 36 15.886 18.837 -14.000 1.00 0.00 C ATOM 553 C ASP A 36 15.716 17.992 -15.265 1.00 0.00 C ATOM 554 O ASP A 36 15.460 18.507 -16.336 1.00 0.00 O ATOM 555 CB ASP A 36 17.279 19.469 -13.996 1.00 0.00 C ATOM 556 CG ASP A 36 17.620 19.958 -15.405 1.00 0.00 C ATOM 557 OD1 ASP A 36 17.190 21.046 -15.753 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.303 19.237 -16.113 1.00 0.00 O ATOM 0 H ASP A 36 16.594 17.599 -12.410 1.00 0.00 H new ATOM 0 HA ASP A 36 15.129 19.621 -13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.311 20.301 -13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.019 18.742 -13.663 1.00 0.00 H new ATOM 563 N ALA A 37 15.859 16.699 -15.154 1.00 0.00 N ATOM 564 CA ALA A 37 15.708 15.827 -16.354 1.00 0.00 C ATOM 565 C ALA A 37 14.283 15.274 -16.411 1.00 0.00 C ATOM 566 O ALA A 37 14.033 14.235 -16.989 1.00 0.00 O ATOM 567 CB ALA A 37 16.701 14.667 -16.267 1.00 0.00 C ATOM 0 H ALA A 37 16.074 16.209 -14.285 1.00 0.00 H new ATOM 0 HA ALA A 37 15.906 16.411 -17.253 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.592 14.028 -17.144 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.717 15.060 -16.228 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.503 14.085 -15.367 1.00 0.00 H new ATOM 573 N LEU A 38 13.345 15.958 -15.817 1.00 0.00 N ATOM 574 CA LEU A 38 11.939 15.466 -15.840 1.00 0.00 C ATOM 575 C LEU A 38 11.885 14.055 -15.255 1.00 0.00 C ATOM 576 O LEU A 38 12.801 13.273 -15.410 1.00 0.00 O ATOM 577 CB LEU A 38 11.433 15.439 -17.284 1.00 0.00 C ATOM 578 CG LEU A 38 10.815 16.793 -17.631 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.994 17.069 -19.125 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.323 16.772 -17.292 1.00 0.00 C ATOM 0 H LEU A 38 13.491 16.835 -15.317 1.00 0.00 H new ATOM 0 HA LEU A 38 11.310 16.130 -15.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.255 15.217 -17.965 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.694 14.647 -17.407 1.00 0.00 H new ATOM 0 HG LEU A 38 11.309 17.576 -17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.553 18.035 -19.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.057 17.082 -19.368 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.500 16.287 -19.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.880 17.737 -17.539 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.830 15.989 -17.868 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.194 16.575 -16.228 1.00 0.00 H new ATOM 592 N TYR A 39 10.818 13.723 -14.581 1.00 0.00 N ATOM 593 CA TYR A 39 10.709 12.362 -13.985 1.00 0.00 C ATOM 594 C TYR A 39 9.519 11.628 -14.605 1.00 0.00 C ATOM 595 O TYR A 39 8.698 12.214 -15.280 1.00 0.00 O ATOM 596 CB TYR A 39 10.505 12.484 -12.473 1.00 0.00 C ATOM 597 CG TYR A 39 11.550 11.669 -11.749 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.910 11.880 -12.009 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.159 10.701 -10.816 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.878 11.125 -11.337 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.126 9.945 -10.144 1.00 0.00 C ATOM 602 CZ TYR A 39 13.486 10.157 -10.404 1.00 0.00 C ATOM 603 OH TYR A 39 14.440 9.412 -9.740 1.00 0.00 O ATOM 0 H TYR A 39 10.018 14.335 -14.418 1.00 0.00 H new ATOM 0 HA TYR A 39 11.623 11.802 -14.184 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.572 13.529 -12.171 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.508 12.137 -12.202 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.212 12.626 -12.729 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.111 10.538 -10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.926 11.289 -11.538 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.824 9.198 -9.425 1.00 0.00 H new ATOM 0 HH TYR A 39 13.999 8.787 -9.128 1.00 0.00 H new ATOM 613 N GLU A 40 9.419 10.347 -14.379 1.00 0.00 N ATOM 614 CA GLU A 40 8.281 9.577 -14.953 1.00 0.00 C ATOM 615 C GLU A 40 7.498 8.905 -13.824 1.00 0.00 C ATOM 616 O GLU A 40 8.067 8.328 -12.919 1.00 0.00 O ATOM 617 CB GLU A 40 8.816 8.509 -15.908 1.00 0.00 C ATOM 618 CG GLU A 40 7.677 7.997 -16.790 1.00 0.00 C ATOM 619 CD GLU A 40 7.302 9.069 -17.816 1.00 0.00 C ATOM 620 OE1 GLU A 40 8.071 9.269 -18.742 1.00 0.00 O ATOM 621 OE2 GLU A 40 6.253 9.670 -17.657 1.00 0.00 O ATOM 0 H GLU A 40 10.076 9.801 -13.822 1.00 0.00 H new ATOM 0 HA GLU A 40 7.624 10.255 -15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.611 8.925 -16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.251 7.685 -15.342 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.980 7.082 -17.299 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.812 7.748 -16.176 1.00 0.00 H new ATOM 628 N ILE A 41 6.197 8.977 -13.869 1.00 0.00 N ATOM 629 CA ILE A 41 5.377 8.343 -12.799 1.00 0.00 C ATOM 630 C ILE A 41 4.308 7.452 -13.438 1.00 0.00 C ATOM 631 O ILE A 41 3.867 7.694 -14.544 1.00 0.00 O ATOM 632 CB ILE A 41 4.705 9.433 -11.963 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.780 10.288 -11.286 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.824 8.787 -10.894 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.149 11.463 -12.195 1.00 0.00 C ATOM 0 H ILE A 41 5.665 9.448 -14.601 1.00 0.00 H new ATOM 0 HA ILE A 41 6.017 7.737 -12.157 1.00 0.00 H new ATOM 0 HB ILE A 41 4.091 10.060 -12.609 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.415 10.657 -10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.663 9.683 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.345 9.564 -10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.060 8.175 -11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.438 8.160 -10.247 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.914 12.071 -11.712 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.532 11.084 -13.143 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.264 12.073 -12.379 1.00 0.00 H new ATOM 647 N GLU A 42 3.891 6.421 -12.754 1.00 0.00 N ATOM 648 CA GLU A 42 2.856 5.517 -13.329 1.00 0.00 C ATOM 649 C GLU A 42 1.757 5.265 -12.294 1.00 0.00 C ATOM 650 O GLU A 42 1.996 5.276 -11.103 1.00 0.00 O ATOM 651 CB GLU A 42 3.502 4.187 -13.720 1.00 0.00 C ATOM 652 CG GLU A 42 4.543 3.798 -12.669 1.00 0.00 C ATOM 653 CD GLU A 42 5.938 4.192 -13.158 1.00 0.00 C ATOM 654 OE1 GLU A 42 6.164 4.129 -14.355 1.00 0.00 O ATOM 655 OE2 GLU A 42 6.755 4.553 -12.327 1.00 0.00 O ATOM 0 H GLU A 42 4.222 6.167 -11.823 1.00 0.00 H new ATOM 0 HA GLU A 42 2.419 5.985 -14.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.741 3.410 -13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.973 4.273 -14.699 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.324 4.295 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.502 2.725 -12.482 1.00 0.00 H new ATOM 662 N HIS A 43 0.552 5.032 -12.742 1.00 0.00 N ATOM 663 CA HIS A 43 -0.565 4.775 -11.789 1.00 0.00 C ATOM 664 C HIS A 43 -1.234 3.445 -12.143 1.00 0.00 C ATOM 665 O HIS A 43 -1.201 3.007 -13.276 1.00 0.00 O ATOM 666 CB HIS A 43 -1.591 5.905 -11.888 1.00 0.00 C ATOM 667 CG HIS A 43 -0.922 7.217 -11.580 1.00 0.00 C ATOM 668 ND1 HIS A 43 -1.333 8.029 -10.534 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.129 7.872 -12.174 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.541 9.118 -10.528 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.364 9.069 -11.507 1.00 0.00 N ATOM 0 H HIS A 43 0.293 5.009 -13.728 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.175 4.729 -10.772 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.024 5.931 -12.888 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.410 5.729 -11.190 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.097 7.836 -9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.686 7.513 -13.027 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.627 9.929 -9.820 1.00 0.00 H new ATOM 679 N HIS A 44 -1.837 2.796 -11.185 1.00 0.00 N ATOM 680 CA HIS A 44 -2.501 1.494 -11.474 1.00 0.00 C ATOM 681 C HIS A 44 -4.001 1.602 -11.188 1.00 0.00 C ATOM 682 O HIS A 44 -4.423 1.701 -10.054 1.00 0.00 O ATOM 683 CB HIS A 44 -1.891 0.405 -10.591 1.00 0.00 C ATOM 684 CG HIS A 44 -0.842 -0.339 -11.369 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.500 -0.314 -11.015 1.00 0.00 N ATOM 686 CD2 HIS A 44 -0.919 -1.133 -12.488 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.169 -1.069 -11.906 1.00 0.00 C ATOM 688 NE2 HIS A 44 0.350 -1.589 -12.822 1.00 0.00 N ATOM 0 H HIS A 44 -1.898 3.110 -10.217 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.353 1.240 -12.524 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.451 0.849 -9.698 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.667 -0.283 -10.255 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.826 -1.367 -13.025 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.236 -1.233 -11.882 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.603 -2.194 -13.603 1.00 0.00 H new ATOM 696 N LEU A 45 -4.811 1.579 -12.213 1.00 0.00 N ATOM 697 CA LEU A 45 -6.283 1.673 -12.004 1.00 0.00 C ATOM 698 C LEU A 45 -6.962 0.467 -12.656 1.00 0.00 C ATOM 699 O LEU A 45 -6.701 0.139 -13.797 1.00 0.00 O ATOM 700 CB LEU A 45 -6.812 2.960 -12.643 1.00 0.00 C ATOM 701 CG LEU A 45 -6.034 4.164 -12.104 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.727 4.334 -12.886 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.884 5.427 -12.258 1.00 0.00 C ATOM 0 H LEU A 45 -4.515 1.499 -13.186 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.499 1.685 -10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.712 2.906 -13.727 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.874 3.075 -12.426 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.804 4.000 -11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.179 5.192 -12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.119 3.436 -12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.952 4.495 -13.940 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.333 6.286 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.114 5.584 -13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.812 5.312 -11.697 1.00 0.00 H new ATOM 715 N PHE A 46 -7.828 -0.202 -11.943 1.00 0.00 N ATOM 716 CA PHE A 46 -8.514 -1.389 -12.531 1.00 0.00 C ATOM 717 C PHE A 46 -10.024 -1.152 -12.568 1.00 0.00 C ATOM 718 O PHE A 46 -10.546 -0.282 -11.899 1.00 0.00 O ATOM 719 CB PHE A 46 -8.212 -2.629 -11.685 1.00 0.00 C ATOM 720 CG PHE A 46 -7.502 -2.219 -10.417 1.00 0.00 C ATOM 721 CD1 PHE A 46 -6.264 -1.571 -10.486 1.00 0.00 C ATOM 722 CD2 PHE A 46 -8.083 -2.490 -9.171 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.605 -1.194 -9.310 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.424 -2.114 -7.995 1.00 0.00 C ATOM 725 CZ PHE A 46 -6.184 -1.465 -8.064 1.00 0.00 C ATOM 0 H PHE A 46 -8.089 0.021 -10.983 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.150 -1.544 -13.547 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.138 -3.150 -11.442 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.593 -3.325 -12.251 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.817 -1.362 -11.447 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.039 -2.989 -9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.649 -0.694 -9.364 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.871 -2.324 -7.035 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.675 -1.174 -7.157 1.00 0.00 H new ATOM 735 N ALA A 47 -10.730 -1.926 -13.347 1.00 0.00 N ATOM 736 CA ALA A 47 -12.207 -1.756 -13.434 1.00 0.00 C ATOM 737 C ALA A 47 -12.867 -3.133 -13.544 1.00 0.00 C ATOM 738 O ALA A 47 -12.201 -4.148 -13.593 1.00 0.00 O ATOM 739 CB ALA A 47 -12.552 -0.924 -14.670 1.00 0.00 C ATOM 0 H ALA A 47 -10.345 -2.671 -13.928 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.571 -1.246 -12.542 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.633 -0.799 -14.734 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.078 0.054 -14.594 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.192 -1.433 -15.564 1.00 0.00 H new ATOM 745 N GLU A 48 -14.170 -3.176 -13.583 1.00 0.00 N ATOM 746 CA GLU A 48 -14.867 -4.489 -13.691 1.00 0.00 C ATOM 747 C GLU A 48 -15.743 -4.502 -14.944 1.00 0.00 C ATOM 748 O GLU A 48 -16.344 -5.503 -15.284 1.00 0.00 O ATOM 749 CB GLU A 48 -15.744 -4.705 -12.455 1.00 0.00 C ATOM 750 CG GLU A 48 -15.868 -3.392 -11.681 1.00 0.00 C ATOM 751 CD GLU A 48 -16.424 -2.305 -12.603 1.00 0.00 C ATOM 752 OE1 GLU A 48 -17.281 -2.624 -13.411 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.985 -1.173 -12.485 1.00 0.00 O ATOM 0 H GLU A 48 -14.782 -2.361 -13.545 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.127 -5.287 -13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.731 -5.058 -12.754 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.309 -5.475 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.525 -3.525 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.894 -3.092 -11.294 1.00 0.00 H new ATOM 760 N ASP A 49 -15.824 -3.397 -15.635 1.00 0.00 N ATOM 761 CA ASP A 49 -16.662 -3.348 -16.866 1.00 0.00 C ATOM 762 C ASP A 49 -15.812 -2.873 -18.045 1.00 0.00 C ATOM 763 O ASP A 49 -15.461 -1.714 -18.141 1.00 0.00 O ATOM 764 CB ASP A 49 -17.823 -2.375 -16.650 1.00 0.00 C ATOM 765 CG ASP A 49 -19.094 -2.949 -17.280 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.641 -3.882 -16.716 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.498 -2.446 -18.316 1.00 0.00 O ATOM 0 H ASP A 49 -15.346 -2.527 -15.400 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.053 -4.343 -17.080 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.977 -2.207 -15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.589 -1.408 -17.095 1.00 0.00 H new ATOM 772 N PHE A 50 -15.480 -3.757 -18.946 1.00 0.00 N ATOM 773 CA PHE A 50 -14.654 -3.351 -20.117 1.00 0.00 C ATOM 774 C PHE A 50 -15.058 -1.945 -20.559 1.00 0.00 C ATOM 775 O PHE A 50 -14.226 -1.099 -20.813 1.00 0.00 O ATOM 776 CB PHE A 50 -14.883 -4.332 -21.269 1.00 0.00 C ATOM 777 CG PHE A 50 -14.026 -3.935 -22.446 1.00 0.00 C ATOM 778 CD1 PHE A 50 -12.660 -4.242 -22.454 1.00 0.00 C ATOM 779 CD2 PHE A 50 -14.597 -3.258 -23.532 1.00 0.00 C ATOM 780 CE1 PHE A 50 -11.865 -3.872 -23.545 1.00 0.00 C ATOM 781 CE2 PHE A 50 -13.801 -2.890 -24.624 1.00 0.00 C ATOM 782 CZ PHE A 50 -12.435 -3.197 -24.630 1.00 0.00 C ATOM 0 H PHE A 50 -15.745 -4.742 -18.921 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.600 -3.358 -19.839 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.637 -5.345 -20.952 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.935 -4.334 -21.556 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.219 -4.765 -21.618 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -15.650 -3.020 -23.527 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.811 -4.108 -23.549 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.241 -2.369 -25.462 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.821 -2.913 -25.472 1.00 0.00 H new ATOM 792 N ASP A 51 -16.335 -1.688 -20.651 1.00 0.00 N ATOM 793 CA ASP A 51 -16.794 -0.336 -21.073 1.00 0.00 C ATOM 794 C ASP A 51 -16.312 0.700 -20.056 1.00 0.00 C ATOM 795 O ASP A 51 -15.455 1.512 -20.342 1.00 0.00 O ATOM 796 CB ASP A 51 -18.323 -0.313 -21.139 1.00 0.00 C ATOM 797 CG ASP A 51 -18.775 0.704 -22.189 1.00 0.00 C ATOM 798 OD1 ASP A 51 -17.917 1.268 -22.848 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.973 0.903 -22.317 1.00 0.00 O ATOM 0 H ASP A 51 -17.079 -2.357 -20.452 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.386 -0.102 -22.056 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.701 -1.304 -21.391 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.735 -0.053 -20.164 1.00 0.00 H new ATOM 804 N LYS A 52 -16.852 0.675 -18.868 1.00 0.00 N ATOM 805 CA LYS A 52 -16.420 1.657 -17.835 1.00 0.00 C ATOM 806 C LYS A 52 -14.902 1.830 -17.908 1.00 0.00 C ATOM 807 O LYS A 52 -14.373 2.891 -17.645 1.00 0.00 O ATOM 808 CB LYS A 52 -16.808 1.144 -16.447 1.00 0.00 C ATOM 809 CG LYS A 52 -16.722 2.288 -15.436 1.00 0.00 C ATOM 810 CD LYS A 52 -18.069 3.013 -15.367 1.00 0.00 C ATOM 811 CE LYS A 52 -19.111 2.099 -14.719 1.00 0.00 C ATOM 812 NZ LYS A 52 -20.099 2.925 -13.967 1.00 0.00 N ATOM 0 H LYS A 52 -17.573 0.018 -18.569 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.908 2.615 -18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.820 0.738 -16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.145 0.332 -16.150 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.456 1.899 -14.453 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.936 2.985 -15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.969 3.933 -14.791 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.392 3.297 -16.368 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.619 1.511 -15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.623 1.394 -14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.054 2.536 -14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.863 2.912 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.070 3.904 -14.316 1.00 0.00 H new ATOM 826 N LEU A 53 -14.197 0.792 -18.266 1.00 0.00 N ATOM 827 CA LEU A 53 -12.714 0.890 -18.359 1.00 0.00 C ATOM 828 C LEU A 53 -12.338 1.833 -19.505 1.00 0.00 C ATOM 829 O LEU A 53 -11.561 2.752 -19.336 1.00 0.00 O ATOM 830 CB LEU A 53 -12.132 -0.502 -18.625 1.00 0.00 C ATOM 831 CG LEU A 53 -10.623 -0.489 -18.363 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.111 -1.926 -18.222 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.908 0.188 -19.534 1.00 0.00 C ATOM 0 H LEU A 53 -14.586 -0.122 -18.499 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.311 1.280 -17.424 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.616 -1.238 -17.983 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.330 -0.799 -19.655 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.423 0.060 -17.443 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.037 -1.913 -18.036 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.618 -2.413 -17.389 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.313 -2.476 -19.141 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.834 0.198 -19.348 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.112 -0.362 -20.452 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.268 1.212 -19.637 1.00 0.00 H new ATOM 845 N GLU A 54 -12.884 1.614 -20.670 1.00 0.00 N ATOM 846 CA GLU A 54 -12.556 2.497 -21.824 1.00 0.00 C ATOM 847 C GLU A 54 -12.975 3.935 -21.505 1.00 0.00 C ATOM 848 O GLU A 54 -12.272 4.876 -21.814 1.00 0.00 O ATOM 849 CB GLU A 54 -13.305 2.013 -23.068 1.00 0.00 C ATOM 850 CG GLU A 54 -12.433 1.021 -23.839 1.00 0.00 C ATOM 851 CD GLU A 54 -13.014 0.812 -25.239 1.00 0.00 C ATOM 852 OE1 GLU A 54 -13.842 -0.071 -25.390 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.619 1.539 -26.136 1.00 0.00 O ATOM 0 H GLU A 54 -13.543 0.862 -20.872 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.482 2.464 -22.010 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.243 1.539 -22.779 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.559 2.861 -23.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.412 1.396 -23.910 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.387 0.071 -23.307 1.00 0.00 H new ATOM 860 N LYS A 55 -14.113 4.112 -20.894 1.00 0.00 N ATOM 861 CA LYS A 55 -14.570 5.491 -20.561 1.00 0.00 C ATOM 862 C LYS A 55 -13.491 6.209 -19.747 1.00 0.00 C ATOM 863 O LYS A 55 -12.927 7.194 -20.179 1.00 0.00 O ATOM 864 CB LYS A 55 -15.860 5.416 -19.742 1.00 0.00 C ATOM 865 CG LYS A 55 -16.994 4.893 -20.626 1.00 0.00 C ATOM 866 CD LYS A 55 -18.330 5.084 -19.909 1.00 0.00 C ATOM 867 CE LYS A 55 -19.440 4.394 -20.705 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.040 2.989 -20.998 1.00 0.00 N ATOM 0 H LYS A 55 -14.746 3.364 -20.611 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.754 6.043 -21.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.721 4.759 -18.883 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.114 6.402 -19.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.001 5.424 -21.578 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.837 3.838 -20.850 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.277 4.668 -18.903 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.550 6.146 -19.804 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.371 4.408 -20.138 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.624 4.932 -21.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.884 2.431 -21.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.375 2.977 -21.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.582 2.577 -20.160 1.00 0.00 H new ATOM 882 N ALA A 56 -13.199 5.722 -18.572 1.00 0.00 N ATOM 883 CA ALA A 56 -12.158 6.378 -17.731 1.00 0.00 C ATOM 884 C ALA A 56 -10.834 6.425 -18.498 1.00 0.00 C ATOM 885 O ALA A 56 -10.160 7.436 -18.528 1.00 0.00 O ATOM 886 CB ALA A 56 -11.971 5.578 -16.441 1.00 0.00 C ATOM 0 H ALA A 56 -13.636 4.899 -18.158 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.472 7.393 -17.489 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.210 6.056 -15.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.913 5.544 -15.894 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.656 4.563 -16.685 1.00 0.00 H new ATOM 892 N ALA A 57 -10.457 5.340 -19.117 1.00 0.00 N ATOM 893 CA ALA A 57 -9.177 5.324 -19.879 1.00 0.00 C ATOM 894 C ALA A 57 -9.142 6.507 -20.850 1.00 0.00 C ATOM 895 O ALA A 57 -8.320 7.394 -20.733 1.00 0.00 O ATOM 896 CB ALA A 57 -9.069 4.015 -20.663 1.00 0.00 C ATOM 0 H ALA A 57 -10.980 4.464 -19.128 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.340 5.403 -19.185 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.133 4.001 -21.221 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.091 3.173 -19.971 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.906 3.936 -21.356 1.00 0.00 H new ATOM 902 N VAL A 58 -10.027 6.528 -21.808 1.00 0.00 N ATOM 903 CA VAL A 58 -10.043 7.653 -22.786 1.00 0.00 C ATOM 904 C VAL A 58 -9.889 8.980 -22.039 1.00 0.00 C ATOM 905 O VAL A 58 -9.141 9.846 -22.445 1.00 0.00 O ATOM 906 CB VAL A 58 -11.368 7.649 -23.550 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.368 8.781 -24.579 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.540 6.306 -24.267 1.00 0.00 C ATOM 0 H VAL A 58 -10.741 5.814 -21.956 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.219 7.533 -23.489 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.191 7.795 -22.850 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.312 8.778 -25.123 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.246 9.737 -24.069 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.545 8.636 -25.279 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.484 6.303 -24.812 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.717 6.159 -24.966 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.541 5.500 -23.534 1.00 0.00 H new ATOM 918 N GLU A 59 -10.590 9.147 -20.952 1.00 0.00 N ATOM 919 CA GLU A 59 -10.481 10.419 -20.184 1.00 0.00 C ATOM 920 C GLU A 59 -9.023 10.640 -19.774 1.00 0.00 C ATOM 921 O GLU A 59 -8.497 11.731 -19.877 1.00 0.00 O ATOM 922 CB GLU A 59 -11.357 10.338 -18.931 1.00 0.00 C ATOM 923 CG GLU A 59 -12.501 11.349 -19.040 1.00 0.00 C ATOM 924 CD GLU A 59 -11.951 12.764 -18.850 1.00 0.00 C ATOM 925 OE1 GLU A 59 -10.908 13.053 -19.411 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.584 13.534 -18.145 1.00 0.00 O ATOM 0 H GLU A 59 -11.233 8.458 -20.562 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.816 11.249 -20.806 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.758 9.330 -18.819 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.759 10.544 -18.043 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.985 11.263 -20.013 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.260 11.138 -18.287 1.00 0.00 H new ATOM 933 N ALA A 60 -8.366 9.612 -19.312 1.00 0.00 N ATOM 934 CA ALA A 60 -6.944 9.762 -18.897 1.00 0.00 C ATOM 935 C ALA A 60 -6.088 10.091 -20.122 1.00 0.00 C ATOM 936 O ALA A 60 -5.247 10.968 -20.086 1.00 0.00 O ATOM 937 CB ALA A 60 -6.455 8.456 -18.266 1.00 0.00 C ATOM 0 H ALA A 60 -8.753 8.674 -19.204 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.861 10.569 -18.169 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.414 8.566 -17.962 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.065 8.223 -17.393 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.537 7.648 -18.993 1.00 0.00 H new ATOM 943 N PHE A 61 -6.293 9.394 -21.206 1.00 0.00 N ATOM 944 CA PHE A 61 -5.489 9.668 -22.432 1.00 0.00 C ATOM 945 C PHE A 61 -5.837 11.056 -22.972 1.00 0.00 C ATOM 946 O PHE A 61 -5.089 11.643 -23.729 1.00 0.00 O ATOM 947 CB PHE A 61 -5.803 8.617 -23.498 1.00 0.00 C ATOM 948 CG PHE A 61 -5.235 9.064 -24.823 1.00 0.00 C ATOM 949 CD1 PHE A 61 -5.889 10.054 -25.568 1.00 0.00 C ATOM 950 CD2 PHE A 61 -4.053 8.492 -25.308 1.00 0.00 C ATOM 951 CE1 PHE A 61 -5.361 10.471 -26.795 1.00 0.00 C ATOM 952 CE2 PHE A 61 -3.525 8.909 -26.536 1.00 0.00 C ATOM 953 CZ PHE A 61 -4.179 9.898 -27.279 1.00 0.00 C ATOM 0 H PHE A 61 -6.982 8.647 -21.296 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.429 9.628 -22.183 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.377 7.655 -23.213 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.881 8.477 -23.580 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.801 10.496 -25.195 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.548 7.729 -24.735 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.865 11.235 -27.368 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.613 8.467 -26.910 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.772 10.219 -28.226 1.00 0.00 H new ATOM 963 N LYS A 62 -6.966 11.587 -22.591 1.00 0.00 N ATOM 964 CA LYS A 62 -7.359 12.937 -23.085 1.00 0.00 C ATOM 965 C LYS A 62 -6.584 14.005 -22.313 1.00 0.00 C ATOM 966 O LYS A 62 -6.166 15.003 -22.866 1.00 0.00 O ATOM 967 CB LYS A 62 -8.861 13.138 -22.874 1.00 0.00 C ATOM 968 CG LYS A 62 -9.272 14.517 -23.396 1.00 0.00 C ATOM 969 CD LYS A 62 -10.659 14.431 -24.036 1.00 0.00 C ATOM 970 CE LYS A 62 -11.096 15.822 -24.497 1.00 0.00 C ATOM 971 NZ LYS A 62 -11.775 16.529 -23.374 1.00 0.00 N ATOM 0 H LYS A 62 -7.633 11.145 -21.959 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.129 13.020 -24.147 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.419 12.360 -23.394 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.105 13.051 -21.815 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.282 15.238 -22.579 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.545 14.872 -24.126 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.638 13.745 -24.883 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.377 14.031 -23.320 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.230 16.395 -24.831 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.771 15.739 -25.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.072 17.475 -23.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.610 15.985 -23.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.118 16.621 -22.573 1.00 0.00 H new ATOM 985 N MET A 63 -6.387 13.804 -21.038 1.00 0.00 N ATOM 986 CA MET A 63 -5.637 14.809 -20.234 1.00 0.00 C ATOM 987 C MET A 63 -4.171 14.818 -20.668 1.00 0.00 C ATOM 988 O MET A 63 -3.601 15.855 -20.942 1.00 0.00 O ATOM 989 CB MET A 63 -5.728 14.445 -18.750 1.00 0.00 C ATOM 990 CG MET A 63 -6.882 15.214 -18.103 1.00 0.00 C ATOM 991 SD MET A 63 -7.009 14.754 -16.357 1.00 0.00 S ATOM 992 CE MET A 63 -8.135 13.354 -16.571 1.00 0.00 C ATOM 0 H MET A 63 -6.713 12.988 -20.520 1.00 0.00 H new ATOM 0 HA MET A 63 -6.069 15.797 -20.393 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.884 13.372 -18.637 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.791 14.685 -18.248 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.716 16.287 -18.196 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.816 14.990 -18.618 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.353 12.910 -15.599 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.062 13.699 -17.028 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.669 12.608 -17.214 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.553 13.668 -20.735 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.124 13.616 -21.155 1.00 0.00 C ATOM 1004 C GLY A 64 -1.485 12.319 -20.652 1.00 0.00 C ATOM 1005 O GLY A 64 -0.431 11.921 -21.106 1.00 0.00 O ATOM 0 H GLY A 64 -3.976 12.766 -20.517 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.052 13.671 -22.241 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.586 14.476 -20.756 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.112 11.660 -19.719 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.537 10.390 -19.188 1.00 0.00 C ATOM 1011 C PHE A 65 -1.511 9.333 -20.295 1.00 0.00 C ATOM 1012 O PHE A 65 -2.492 9.109 -20.975 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.398 9.885 -18.029 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.529 10.967 -16.986 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.510 11.956 -17.123 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.672 10.981 -15.879 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.633 12.959 -16.155 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.796 11.982 -14.910 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.777 12.972 -15.048 1.00 0.00 C ATOM 0 H PHE A 65 -2.998 11.944 -19.300 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.522 10.575 -18.838 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.384 9.597 -18.394 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.948 8.995 -17.589 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.172 11.945 -17.976 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.915 10.218 -15.773 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.389 13.723 -16.262 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.135 11.991 -14.056 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.873 13.745 -14.300 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.398 8.676 -20.474 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.313 7.630 -21.531 1.00 0.00 C ATOM 1031 C GLU A 66 -0.813 6.300 -20.963 1.00 0.00 C ATOM 1032 O GLU A 66 -0.115 5.626 -20.231 1.00 0.00 O ATOM 1033 CB GLU A 66 1.140 7.477 -21.985 1.00 0.00 C ATOM 1034 CG GLU A 66 1.178 6.808 -23.361 1.00 0.00 C ATOM 1035 CD GLU A 66 2.571 6.224 -23.606 1.00 0.00 C ATOM 1036 OE1 GLU A 66 3.478 6.577 -22.871 1.00 0.00 O ATOM 1037 OE2 GLU A 66 2.706 5.433 -24.526 1.00 0.00 O ATOM 0 H GLU A 66 0.456 8.818 -19.934 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.928 7.920 -22.383 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.623 8.453 -22.030 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.697 6.879 -21.263 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.427 6.020 -23.415 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.935 7.534 -24.137 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.018 5.919 -21.287 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.563 4.636 -20.759 1.00 0.00 C ATOM 1046 C VAL A 67 -1.728 3.465 -21.280 1.00 0.00 C ATOM 1047 O VAL A 67 -1.328 3.435 -22.427 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.012 4.468 -21.217 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.065 4.438 -22.745 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.573 3.154 -20.661 1.00 0.00 C ATOM 0 H VAL A 67 -2.649 6.441 -21.895 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.523 4.652 -19.670 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.608 5.303 -20.850 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.098 4.318 -23.071 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.665 5.371 -23.141 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.469 3.603 -23.113 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.606 3.033 -20.987 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.976 2.319 -21.029 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.536 3.175 -19.572 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.470 2.498 -20.445 1.00 0.00 N ATOM 1061 CA LEU A 68 -0.671 1.321 -20.885 1.00 0.00 C ATOM 1062 C LEU A 68 -1.574 0.086 -20.914 1.00 0.00 C ATOM 1063 O LEU A 68 -2.394 -0.114 -20.040 1.00 0.00 O ATOM 1064 CB LEU A 68 0.484 1.090 -19.907 1.00 0.00 C ATOM 1065 CG LEU A 68 1.780 1.634 -20.510 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.676 3.154 -20.657 1.00 0.00 C ATOM 1067 CD2 LEU A 68 2.953 1.293 -19.589 1.00 0.00 C ATOM 0 H LEU A 68 -1.779 2.472 -19.473 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.266 1.503 -21.880 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.276 1.585 -18.959 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.588 0.026 -19.695 1.00 0.00 H new ATOM 0 HG LEU A 68 1.942 1.183 -21.489 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.600 3.542 -21.087 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.840 3.400 -21.312 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.514 3.604 -19.677 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.877 1.680 -20.018 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.790 1.744 -18.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.029 0.211 -19.482 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.440 -0.736 -21.916 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.301 -1.950 -22.003 1.00 0.00 C ATOM 1081 C GLU A 69 -2.445 -2.586 -20.620 1.00 0.00 C ATOM 1082 O GLU A 69 -1.542 -2.547 -19.807 1.00 0.00 O ATOM 1083 CB GLU A 69 -1.671 -2.959 -22.967 1.00 0.00 C ATOM 1084 CG GLU A 69 -1.791 -2.443 -24.402 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.793 -3.305 -25.174 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.827 -4.499 -24.932 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.509 -2.754 -25.995 1.00 0.00 O ATOM 0 H GLU A 69 -0.772 -0.621 -22.679 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.286 -1.663 -22.370 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.623 -3.114 -22.712 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.168 -3.925 -22.874 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.117 -1.403 -24.399 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.818 -2.471 -24.892 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.579 -3.175 -20.350 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.792 -3.817 -19.023 1.00 0.00 C ATOM 1096 C ALA A 70 -3.454 -5.306 -19.119 1.00 0.00 C ATOM 1097 O ALA A 70 -3.079 -5.802 -20.164 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.257 -3.656 -18.609 1.00 0.00 C ATOM 0 H ALA A 70 -4.368 -3.239 -20.993 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.149 -3.343 -18.282 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.414 -4.125 -17.638 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.502 -2.596 -18.544 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.899 -4.132 -19.350 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.588 -6.025 -18.038 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.277 -7.482 -18.068 1.00 0.00 C ATOM 1106 C GLU A 71 -4.237 -8.223 -17.136 1.00 0.00 C ATOM 1107 O GLU A 71 -4.130 -8.142 -15.929 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.837 -7.709 -17.603 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.506 -9.201 -17.672 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.645 -9.478 -18.905 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -1.107 -9.198 -20.000 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.460 -9.962 -18.735 1.00 0.00 O ATOM 0 H GLU A 71 -3.899 -5.666 -17.135 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.391 -7.858 -19.085 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.148 -7.144 -18.230 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.711 -7.345 -16.583 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.977 -9.509 -16.770 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.425 -9.786 -17.718 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.177 -8.945 -17.686 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.141 -9.688 -16.828 1.00 0.00 C ATOM 1121 C GLU A 72 -5.404 -10.243 -15.608 1.00 0.00 C ATOM 1122 O GLU A 72 -4.546 -11.095 -15.723 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.756 -10.844 -17.622 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.388 -10.705 -19.100 1.00 0.00 C ATOM 1125 CD GLU A 72 -4.905 -11.025 -19.289 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -4.177 -10.962 -18.313 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -4.521 -11.331 -20.407 1.00 0.00 O ATOM 0 H GLU A 72 -5.318 -9.051 -18.691 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.934 -9.014 -16.504 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.395 -11.797 -17.235 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.840 -10.843 -17.505 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.996 -11.380 -19.702 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.599 -9.693 -19.445 1.00 0.00 H new ATOM 1134 N THR A 73 -5.730 -9.766 -14.439 1.00 0.00 N ATOM 1135 CA THR A 73 -5.048 -10.266 -13.213 1.00 0.00 C ATOM 1136 C THR A 73 -6.092 -10.574 -12.141 1.00 0.00 C ATOM 1137 O THR A 73 -7.257 -10.762 -12.431 1.00 0.00 O ATOM 1138 CB THR A 73 -4.084 -9.196 -12.696 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.693 -9.517 -11.368 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.774 -7.832 -12.714 1.00 0.00 C ATOM 0 H THR A 73 -6.440 -9.051 -14.280 1.00 0.00 H new ATOM 0 HA THR A 73 -4.491 -11.173 -13.449 1.00 0.00 H new ATOM 0 HB THR A 73 -3.202 -9.160 -13.336 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.074 -8.834 -11.035 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.086 -7.071 -12.345 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.072 -7.588 -13.734 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.657 -7.862 -12.076 1.00 0.00 H new ATOM 1148 N GLU A 74 -5.686 -10.628 -10.903 1.00 0.00 N ATOM 1149 CA GLU A 74 -6.659 -10.925 -9.815 1.00 0.00 C ATOM 1150 C GLU A 74 -6.240 -10.189 -8.543 1.00 0.00 C ATOM 1151 O GLU A 74 -5.121 -9.736 -8.414 1.00 0.00 O ATOM 1152 CB GLU A 74 -6.680 -12.432 -9.548 1.00 0.00 C ATOM 1153 CG GLU A 74 -5.489 -12.812 -8.666 1.00 0.00 C ATOM 1154 CD GLU A 74 -4.212 -12.188 -9.234 1.00 0.00 C ATOM 1155 OE1 GLU A 74 -4.032 -12.251 -10.439 1.00 0.00 O ATOM 1156 OE2 GLU A 74 -3.437 -11.658 -8.455 1.00 0.00 O ATOM 0 H GLU A 74 -4.724 -10.480 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.653 -10.595 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.613 -12.712 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.638 -12.979 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.653 -12.465 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.388 -13.896 -8.621 1.00 0.00 H new ATOM 1163 N ASP A 75 -7.134 -10.068 -7.600 1.00 0.00 N ATOM 1164 CA ASP A 75 -6.791 -9.364 -6.334 1.00 0.00 C ATOM 1165 C ASP A 75 -7.282 -10.197 -5.148 1.00 0.00 C ATOM 1166 O ASP A 75 -7.591 -9.674 -4.096 1.00 0.00 O ATOM 1167 CB ASP A 75 -7.470 -7.993 -6.314 1.00 0.00 C ATOM 1168 CG ASP A 75 -6.458 -6.916 -6.707 1.00 0.00 C ATOM 1169 OD1 ASP A 75 -5.481 -6.761 -5.994 1.00 0.00 O ATOM 1170 OD2 ASP A 75 -6.677 -6.265 -7.715 1.00 0.00 O ATOM 0 H ASP A 75 -8.087 -10.427 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.711 -9.232 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.314 -7.983 -7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.868 -7.787 -5.321 1.00 0.00 H new ATOM 1175 N GLU A 76 -7.359 -11.489 -5.313 1.00 0.00 N ATOM 1176 CA GLU A 76 -7.832 -12.354 -4.197 1.00 0.00 C ATOM 1177 C GLU A 76 -9.324 -12.107 -3.964 1.00 0.00 C ATOM 1178 O GLU A 76 -9.932 -12.690 -3.088 1.00 0.00 O ATOM 1179 CB GLU A 76 -7.051 -12.019 -2.925 1.00 0.00 C ATOM 1180 CG GLU A 76 -6.580 -13.313 -2.259 1.00 0.00 C ATOM 1181 CD GLU A 76 -6.250 -13.039 -0.790 1.00 0.00 C ATOM 1182 OE1 GLU A 76 -6.205 -11.877 -0.422 1.00 0.00 O ATOM 1183 OE2 GLU A 76 -6.049 -13.996 -0.062 1.00 0.00 O ATOM 0 H GLU A 76 -7.115 -11.982 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.672 -13.402 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.195 -11.389 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.680 -11.452 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.355 -14.076 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.701 -13.701 -2.774 1.00 0.00 H new ATOM 1190 N ASP A 77 -9.917 -11.245 -4.745 1.00 0.00 N ATOM 1191 CA ASP A 77 -11.369 -10.958 -4.574 1.00 0.00 C ATOM 1192 C ASP A 77 -11.971 -10.566 -5.925 1.00 0.00 C ATOM 1193 O ASP A 77 -13.173 -10.489 -6.081 1.00 0.00 O ATOM 1194 CB ASP A 77 -11.550 -9.807 -3.581 1.00 0.00 C ATOM 1195 CG ASP A 77 -10.912 -8.536 -4.146 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -10.494 -8.566 -5.292 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -10.852 -7.556 -3.423 1.00 0.00 O ATOM 0 H ASP A 77 -9.458 -10.727 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.873 -11.846 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.610 -9.640 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.092 -10.062 -2.626 1.00 0.00 H new ATOM 1202 N GLY A 78 -11.144 -10.321 -6.905 1.00 0.00 N ATOM 1203 CA GLY A 78 -11.669 -9.938 -8.246 1.00 0.00 C ATOM 1204 C GLY A 78 -11.637 -11.155 -9.171 1.00 0.00 C ATOM 1205 O GLY A 78 -12.387 -11.244 -10.122 1.00 0.00 O ATOM 0 H GLY A 78 -10.128 -10.370 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.688 -9.563 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.068 -9.132 -8.667 1.00 0.00 H new ATOM 1209 N ASN A 79 -10.773 -12.094 -8.897 1.00 0.00 N ATOM 1210 CA ASN A 79 -10.690 -13.309 -9.756 1.00 0.00 C ATOM 1211 C ASN A 79 -10.336 -12.904 -11.189 1.00 0.00 C ATOM 1212 O ASN A 79 -9.288 -13.250 -11.699 1.00 0.00 O ATOM 1213 CB ASN A 79 -12.037 -14.034 -9.749 1.00 0.00 C ATOM 1214 CG ASN A 79 -11.911 -15.349 -10.521 1.00 0.00 C ATOM 1215 OD1 ASN A 79 -10.905 -15.600 -11.156 1.00 0.00 O ATOM 1216 ND2 ASN A 79 -12.896 -16.204 -10.495 1.00 0.00 N ATOM 0 H ASN A 79 -10.120 -12.072 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.918 -13.973 -9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.351 -14.230 -8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.803 -13.405 -10.203 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.822 -17.083 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.740 -15.994 -9.962 1.00 0.00 H new ATOM 1223 N LYS A 80 -11.200 -12.180 -11.845 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.908 -11.762 -13.246 1.00 0.00 C ATOM 1225 C LYS A 80 -11.234 -10.277 -13.421 1.00 0.00 C ATOM 1226 O LYS A 80 -12.383 -9.887 -13.487 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.760 -12.589 -14.211 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.007 -12.768 -15.531 1.00 0.00 C ATOM 1229 CD LYS A 80 -12.009 -12.840 -16.685 1.00 0.00 C ATOM 1230 CE LYS A 80 -11.492 -13.806 -17.752 1.00 0.00 C ATOM 1231 NZ LYS A 80 -11.509 -15.196 -17.215 1.00 0.00 N ATOM 0 H LYS A 80 -12.094 -11.860 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.852 -11.926 -13.459 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.984 -13.562 -13.773 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.714 -12.092 -14.388 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.318 -11.937 -15.685 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.407 -13.677 -15.499 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.979 -13.173 -16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.155 -11.850 -17.116 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.112 -13.743 -18.646 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.479 -13.531 -18.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.662 -15.867 -17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.599 -15.401 -16.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.278 -15.291 -16.521 1.00 0.00 H new ATOM 1245 N LEU A 81 -10.230 -9.447 -13.502 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.482 -7.989 -13.678 1.00 0.00 C ATOM 1247 C LEU A 81 -9.439 -7.408 -14.633 1.00 0.00 C ATOM 1248 O LEU A 81 -8.502 -8.075 -15.024 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.384 -7.285 -12.324 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.975 -7.464 -11.756 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.123 -6.237 -12.093 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.057 -7.622 -10.236 1.00 0.00 C ATOM 0 H LEU A 81 -9.247 -9.715 -13.454 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.479 -7.839 -14.091 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.610 -6.225 -12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.121 -7.697 -11.634 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.519 -8.352 -12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.120 -6.368 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.064 -6.121 -13.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.578 -5.347 -11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.054 -7.750 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.514 -6.733 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.661 -8.496 -9.993 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.591 -6.169 -15.011 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.606 -5.550 -15.941 1.00 0.00 C ATOM 1266 C LEU A 82 -7.835 -4.450 -15.207 1.00 0.00 C ATOM 1267 O LEU A 82 -8.402 -3.663 -14.476 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.344 -4.946 -17.138 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.886 -6.068 -18.025 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.086 -6.730 -17.343 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.324 -5.486 -19.369 1.00 0.00 C ATOM 0 H LEU A 82 -10.354 -5.559 -14.716 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.908 -6.311 -16.292 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.162 -4.314 -16.793 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.670 -4.309 -17.711 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.105 -6.812 -18.184 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.470 -7.529 -17.977 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.776 -7.145 -16.384 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.868 -5.988 -17.181 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.711 -6.284 -20.003 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.104 -4.742 -19.207 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.470 -5.016 -19.858 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.545 -4.390 -15.397 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.740 -3.342 -14.710 1.00 0.00 C ATOM 1285 C CYS A 83 -4.913 -2.571 -15.741 1.00 0.00 C ATOM 1286 O CYS A 83 -3.892 -3.038 -16.206 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.802 -4.002 -13.697 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.629 -5.070 -14.568 1.00 0.00 S ATOM 0 H CYS A 83 -6.015 -5.021 -15.998 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.409 -2.653 -14.194 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.266 -3.240 -13.132 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.378 -4.586 -12.979 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.262 -4.498 -15.676 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.341 -1.391 -16.098 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.573 -0.592 -17.092 1.00 0.00 C ATOM 1296 C PHE A 84 -3.635 0.362 -16.353 1.00 0.00 C ATOM 1297 O PHE A 84 -3.925 0.807 -15.260 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.538 0.208 -17.973 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.508 0.973 -17.102 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.533 0.296 -16.430 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.386 2.364 -16.974 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.435 1.007 -15.630 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.287 3.074 -16.173 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.311 2.396 -15.501 1.00 0.00 C ATOM 0 H PHE A 84 -6.188 -0.947 -15.744 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.989 -1.261 -17.724 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.980 0.898 -18.606 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.082 -0.464 -18.636 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.628 -0.775 -16.529 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.597 2.887 -17.494 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.226 0.485 -15.113 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.193 4.145 -16.073 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.006 2.945 -14.883 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.509 0.675 -16.932 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.555 1.593 -16.247 1.00 0.00 C ATOM 1316 C ASP A 85 -1.447 2.907 -17.021 1.00 0.00 C ATOM 1317 O ASP A 85 -1.544 2.939 -18.230 1.00 0.00 O ATOM 1318 CB ASP A 85 -0.177 0.931 -16.173 1.00 0.00 C ATOM 1319 CG ASP A 85 0.886 1.996 -15.896 1.00 0.00 C ATOM 1320 OD1 ASP A 85 0.731 2.720 -14.926 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.836 2.068 -16.657 1.00 0.00 O ATOM 0 H ASP A 85 -2.209 0.337 -17.846 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.918 1.800 -15.240 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.166 0.177 -15.386 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.042 0.418 -17.109 1.00 0.00 H new ATOM 1326 N ALA A 86 -1.238 3.994 -16.329 1.00 0.00 N ATOM 1327 CA ALA A 86 -1.114 5.310 -17.017 1.00 0.00 C ATOM 1328 C ALA A 86 0.194 5.978 -16.588 1.00 0.00 C ATOM 1329 O ALA A 86 0.608 5.874 -15.450 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.297 6.201 -16.633 1.00 0.00 C ATOM 0 H ALA A 86 -1.148 4.027 -15.314 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.112 5.162 -18.097 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.206 7.164 -17.136 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.228 5.720 -16.935 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.301 6.355 -15.554 1.00 0.00 H new ATOM 1336 N THR A 87 0.853 6.657 -17.488 1.00 0.00 N ATOM 1337 CA THR A 87 2.138 7.319 -17.124 1.00 0.00 C ATOM 1338 C THR A 87 2.005 8.835 -17.281 1.00 0.00 C ATOM 1339 O THR A 87 1.068 9.332 -17.875 1.00 0.00 O ATOM 1340 CB THR A 87 3.250 6.808 -18.041 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.709 6.509 -19.319 1.00 0.00 O ATOM 1342 CG2 THR A 87 3.870 5.546 -17.438 1.00 0.00 C ATOM 0 H THR A 87 0.558 6.782 -18.456 1.00 0.00 H new ATOM 0 HA THR A 87 2.381 7.086 -16.087 1.00 0.00 H new ATOM 0 HB THR A 87 4.018 7.574 -18.143 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.421 6.183 -19.908 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.663 5.182 -18.092 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.286 5.778 -16.458 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.104 4.778 -17.334 1.00 0.00 H new ATOM 1350 N MET A 88 2.942 9.574 -16.752 1.00 0.00 N ATOM 1351 CA MET A 88 2.883 11.059 -16.864 1.00 0.00 C ATOM 1352 C MET A 88 4.233 11.649 -16.451 1.00 0.00 C ATOM 1353 O MET A 88 4.816 11.254 -15.461 1.00 0.00 O ATOM 1354 CB MET A 88 1.786 11.597 -15.945 1.00 0.00 C ATOM 1355 CG MET A 88 2.096 13.049 -15.575 1.00 0.00 C ATOM 1356 SD MET A 88 0.674 13.772 -14.721 1.00 0.00 S ATOM 1357 CE MET A 88 -0.212 14.332 -16.196 1.00 0.00 C ATOM 0 H MET A 88 3.749 9.211 -16.245 1.00 0.00 H new ATOM 0 HA MET A 88 2.661 11.341 -17.893 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.818 11.536 -16.442 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.720 10.987 -15.044 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.978 13.092 -14.936 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.325 13.623 -16.473 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.076 14.926 -15.898 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.452 14.940 -16.810 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.546 13.468 -16.770 1.00 0.00 H new ATOM 1367 N GLN A 89 4.739 12.589 -17.203 1.00 0.00 N ATOM 1368 CA GLN A 89 6.054 13.196 -16.851 1.00 0.00 C ATOM 1369 C GLN A 89 5.834 14.441 -15.988 1.00 0.00 C ATOM 1370 O GLN A 89 4.867 15.158 -16.149 1.00 0.00 O ATOM 1371 CB GLN A 89 6.796 13.587 -18.131 1.00 0.00 C ATOM 1372 CG GLN A 89 5.798 14.134 -19.153 1.00 0.00 C ATOM 1373 CD GLN A 89 5.589 13.104 -20.264 1.00 0.00 C ATOM 1374 OE1 GLN A 89 5.270 13.455 -21.383 1.00 0.00 O ATOM 1375 NE2 GLN A 89 5.757 11.836 -20.001 1.00 0.00 N ATOM 0 H GLN A 89 4.299 12.962 -18.044 1.00 0.00 H new ATOM 0 HA GLN A 89 6.647 12.471 -16.293 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.554 14.338 -17.909 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.315 12.721 -18.542 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.849 14.357 -18.666 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.168 15.069 -19.574 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.025 11.541 -19.062 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.621 11.141 -20.735 1.00 0.00 H new ATOM 1384 N SER A 90 6.729 14.704 -15.076 1.00 0.00 N ATOM 1385 CA SER A 90 6.579 15.902 -14.203 1.00 0.00 C ATOM 1386 C SER A 90 7.959 16.344 -13.711 1.00 0.00 C ATOM 1387 O SER A 90 8.968 15.766 -14.064 1.00 0.00 O ATOM 1388 CB SER A 90 5.698 15.554 -13.002 1.00 0.00 C ATOM 1389 OG SER A 90 6.368 14.598 -12.191 1.00 0.00 O ATOM 0 H SER A 90 7.560 14.139 -14.897 1.00 0.00 H new ATOM 0 HA SER A 90 6.115 16.710 -14.769 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.481 16.452 -12.423 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.742 15.155 -13.341 1.00 0.00 H new ATOM 0 HG SER A 90 5.807 14.374 -11.419 1.00 0.00 H new ATOM 1395 N ALA A 91 8.013 17.365 -12.899 1.00 0.00 N ATOM 1396 CA ALA A 91 9.329 17.840 -12.389 1.00 0.00 C ATOM 1397 C ALA A 91 9.563 17.293 -10.980 1.00 0.00 C ATOM 1398 O ALA A 91 10.009 17.998 -10.096 1.00 0.00 O ATOM 1399 CB ALA A 91 9.339 19.369 -12.350 1.00 0.00 C ATOM 0 H ALA A 91 7.203 17.889 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 91 10.121 17.487 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.302 19.717 -11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.176 19.760 -13.355 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.546 19.721 -11.691 1.00 0.00 H new ATOM 1405 N LEU A 92 9.265 16.042 -10.763 1.00 0.00 N ATOM 1406 CA LEU A 92 9.471 15.452 -9.410 1.00 0.00 C ATOM 1407 C LEU A 92 9.152 16.500 -8.342 1.00 0.00 C ATOM 1408 O LEU A 92 9.996 17.283 -7.955 1.00 0.00 O ATOM 1409 CB LEU A 92 10.927 15.003 -9.266 1.00 0.00 C ATOM 1410 CG LEU A 92 10.971 13.616 -8.625 1.00 0.00 C ATOM 1411 CD1 LEU A 92 12.391 13.054 -8.722 1.00 0.00 C ATOM 1412 CD2 LEU A 92 10.565 13.721 -7.153 1.00 0.00 C ATOM 0 H LEU A 92 8.888 15.403 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 92 8.812 14.593 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.410 14.979 -10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.480 15.716 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 92 10.281 12.953 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.423 12.065 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.682 12.979 -9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.081 13.717 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.596 12.732 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.255 14.384 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.554 14.122 -7.082 1.00 0.00 H new ATOM 1424 N ASP A 93 7.938 16.518 -7.861 1.00 0.00 N ATOM 1425 CA ASP A 93 7.564 17.512 -6.817 1.00 0.00 C ATOM 1426 C ASP A 93 6.308 17.034 -6.087 1.00 0.00 C ATOM 1427 O ASP A 93 5.228 17.007 -6.641 1.00 0.00 O ATOM 1428 CB ASP A 93 7.286 18.867 -7.474 1.00 0.00 C ATOM 1429 CG ASP A 93 8.419 19.839 -7.137 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.788 19.908 -5.976 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.896 20.499 -8.045 1.00 0.00 O ATOM 0 H ASP A 93 7.190 15.887 -8.147 1.00 0.00 H new ATOM 0 HA ASP A 93 8.383 17.616 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.203 18.749 -8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.334 19.265 -7.123 1.00 0.00 H new ATOM 1436 N ALA A 94 6.441 16.653 -4.845 1.00 0.00 N ATOM 1437 CA ALA A 94 5.255 16.176 -4.080 1.00 0.00 C ATOM 1438 C ALA A 94 4.036 17.023 -4.448 1.00 0.00 C ATOM 1439 O ALA A 94 3.105 16.551 -5.072 1.00 0.00 O ATOM 1440 CB ALA A 94 5.532 16.304 -2.581 1.00 0.00 C ATOM 0 H ALA A 94 7.320 16.652 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 94 5.059 15.132 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.665 15.955 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.401 15.700 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.728 17.348 -2.335 1.00 0.00 H new ATOM 1446 N LYS A 95 4.033 18.270 -4.066 1.00 0.00 N ATOM 1447 CA LYS A 95 2.875 19.152 -4.389 1.00 0.00 C ATOM 1448 C LYS A 95 2.294 18.765 -5.751 1.00 0.00 C ATOM 1449 O LYS A 95 1.094 18.682 -5.923 1.00 0.00 O ATOM 1450 CB LYS A 95 3.341 20.608 -4.429 1.00 0.00 C ATOM 1451 CG LYS A 95 2.174 21.507 -4.840 1.00 0.00 C ATOM 1452 CD LYS A 95 2.458 22.944 -4.397 1.00 0.00 C ATOM 1453 CE LYS A 95 1.530 23.902 -5.145 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.154 23.804 -4.581 1.00 0.00 N ATOM 0 H LYS A 95 4.785 18.718 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 95 2.108 19.034 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.717 20.907 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.164 20.718 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.034 21.469 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.249 21.151 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.308 23.041 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.499 23.199 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.898 24.924 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.517 23.658 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.477 24.456 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.196 22.830 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.173 24.058 -3.573 1.00 0.00 H new ATOM 1468 N LEU A 96 3.133 18.531 -6.722 1.00 0.00 N ATOM 1469 CA LEU A 96 2.622 18.153 -8.070 1.00 0.00 C ATOM 1470 C LEU A 96 2.023 16.748 -8.016 1.00 0.00 C ATOM 1471 O LEU A 96 0.867 16.543 -8.327 1.00 0.00 O ATOM 1472 CB LEU A 96 3.775 18.178 -9.076 1.00 0.00 C ATOM 1473 CG LEU A 96 3.716 19.472 -9.890 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.883 20.673 -8.956 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.845 19.472 -10.924 1.00 0.00 C ATOM 0 H LEU A 96 4.148 18.585 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 96 1.853 18.862 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.729 18.108 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.711 17.316 -9.739 1.00 0.00 H new ATOM 0 HG LEU A 96 2.754 19.538 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.841 21.594 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.082 20.673 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.845 20.608 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.806 20.393 -11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.806 19.406 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.728 18.617 -11.590 1.00 0.00 H new ATOM 1487 N ILE A 97 2.801 15.776 -7.623 1.00 0.00 N ATOM 1488 CA ILE A 97 2.276 14.383 -7.550 1.00 0.00 C ATOM 1489 C ILE A 97 0.949 14.376 -6.787 1.00 0.00 C ATOM 1490 O ILE A 97 0.128 13.499 -6.959 1.00 0.00 O ATOM 1491 CB ILE A 97 3.288 13.497 -6.824 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.633 13.560 -7.551 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.784 12.052 -6.811 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.757 13.205 -6.575 1.00 0.00 C ATOM 0 H ILE A 97 3.777 15.887 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 97 2.115 14.001 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 97 3.410 13.849 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.636 12.868 -8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.792 14.559 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.505 11.420 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.825 12.006 -6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.662 11.700 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.715 13.250 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.758 13.914 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.599 12.198 -6.189 1.00 0.00 H new ATOM 1506 N ASP A 98 0.735 15.348 -5.944 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.538 15.395 -5.169 1.00 0.00 C ATOM 1508 C ASP A 98 -1.684 15.821 -6.089 1.00 0.00 C ATOM 1509 O ASP A 98 -2.665 15.120 -6.239 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.401 16.404 -4.026 1.00 0.00 C ATOM 1511 CG ASP A 98 -0.356 15.660 -2.690 1.00 0.00 C ATOM 1512 OD1 ASP A 98 0.597 14.929 -2.474 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.275 15.833 -1.908 1.00 0.00 O ATOM 0 H ASP A 98 1.385 16.111 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.750 14.407 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.505 16.995 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.240 17.100 -4.039 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.570 16.965 -6.705 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.655 17.437 -7.610 1.00 0.00 C ATOM 1520 C GLU A 99 -2.925 16.381 -8.686 1.00 0.00 C ATOM 1521 O GLU A 99 -4.057 16.128 -9.049 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.226 18.745 -8.277 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.049 19.826 -7.210 1.00 0.00 C ATOM 1524 CD GLU A 99 -1.148 20.936 -7.752 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -0.247 20.622 -8.513 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -1.373 22.081 -7.399 1.00 0.00 O ATOM 0 H GLU A 99 -0.771 17.594 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.563 17.602 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.293 18.599 -8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.974 19.057 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.019 20.236 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.611 19.395 -6.310 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.897 15.768 -9.203 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.100 14.735 -10.257 1.00 0.00 C ATOM 1535 C GLN A 100 -2.791 13.510 -9.653 1.00 0.00 C ATOM 1536 O GLN A 100 -3.806 13.055 -10.139 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.745 14.323 -10.835 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.280 15.375 -11.845 1.00 0.00 C ATOM 1539 CD GLN A 100 0.277 16.588 -11.098 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.442 17.259 -10.384 1.00 0.00 O ATOM 1541 NE2 GLN A 100 1.537 16.899 -11.232 1.00 0.00 N ATOM 0 H GLN A 100 -0.926 15.937 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.725 15.147 -11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.012 14.222 -10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.825 13.349 -11.319 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.484 14.954 -12.498 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.112 15.677 -12.481 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.140 16.336 -11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.919 17.705 -10.737 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.248 12.972 -8.596 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.873 11.775 -7.965 1.00 0.00 C ATOM 1552 C VAL A 101 -4.313 12.100 -7.564 1.00 0.00 C ATOM 1553 O VAL A 101 -5.185 11.254 -7.603 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.073 11.381 -6.721 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -2.938 10.506 -5.812 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.828 10.599 -7.146 1.00 0.00 C ATOM 0 H VAL A 101 -1.399 13.309 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.874 10.948 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.774 12.279 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.368 10.226 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.826 11.061 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.237 9.607 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.256 10.317 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.129 9.701 -7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.211 11.221 -7.794 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.570 13.320 -7.177 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.953 13.699 -6.773 1.00 0.00 C ATOM 1568 C GLU A 102 -6.878 13.628 -7.989 1.00 0.00 C ATOM 1569 O GLU A 102 -8.011 13.200 -7.894 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.948 15.125 -6.219 1.00 0.00 C ATOM 1571 CG GLU A 102 -5.780 15.081 -4.698 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.068 16.464 -4.112 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.979 17.113 -4.598 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -5.374 16.849 -3.185 1.00 0.00 O ATOM 0 H GLU A 102 -3.881 14.071 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.309 13.011 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.137 15.698 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.878 15.631 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.458 14.344 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.767 14.770 -4.442 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.405 14.044 -9.131 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.259 13.998 -10.350 1.00 0.00 C ATOM 1583 C LYS A 103 -7.659 12.549 -10.636 1.00 0.00 C ATOM 1584 O LYS A 103 -8.821 12.237 -10.806 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.479 14.555 -11.542 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.708 16.064 -11.641 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.603 16.693 -12.493 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.707 18.217 -12.420 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.343 18.813 -12.499 1.00 0.00 N ATOM 0 H LYS A 103 -5.465 14.413 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.154 14.599 -10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.416 14.345 -11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.801 14.066 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.683 16.266 -12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.712 16.508 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.625 16.367 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.693 16.361 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.326 18.589 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.192 18.515 -11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.414 19.849 -12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.766 18.467 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.896 18.539 -13.397 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.705 11.660 -10.688 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.031 10.233 -10.961 1.00 0.00 C ATOM 1605 C LEU A 104 -7.943 9.698 -9.853 1.00 0.00 C ATOM 1606 O LEU A 104 -8.693 8.764 -10.051 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.739 9.414 -11.001 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.990 9.701 -12.303 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.497 9.431 -12.106 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.528 8.793 -13.412 1.00 0.00 C ATOM 0 H LEU A 104 -5.714 11.861 -10.553 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.541 10.153 -11.921 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.111 9.664 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.968 8.351 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.137 10.744 -12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.965 9.636 -13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.112 10.076 -11.317 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.350 8.388 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.994 8.997 -14.340 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.382 7.750 -13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.591 8.984 -13.555 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.885 10.285 -8.688 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.748 9.808 -7.569 1.00 0.00 C ATOM 1624 C VAL A 105 -10.199 10.222 -7.830 1.00 0.00 C ATOM 1625 O VAL A 105 -11.077 9.393 -7.963 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.269 10.428 -6.255 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.425 10.460 -5.253 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.123 9.591 -5.682 1.00 0.00 C ATOM 0 H VAL A 105 -7.278 11.073 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.687 8.722 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.920 11.444 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.083 10.902 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.242 11.057 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.775 9.444 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.782 10.033 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.472 8.575 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.298 9.568 -6.394 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.458 11.500 -7.904 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.852 11.964 -8.155 1.00 0.00 C ATOM 1640 C ASN A 106 -12.386 11.315 -9.434 1.00 0.00 C ATOM 1641 O ASN A 106 -13.520 10.881 -9.496 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.861 13.486 -8.316 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.239 14.135 -7.078 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -10.807 13.451 -6.171 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.175 15.437 -7.000 1.00 0.00 N ATOM 0 H ASN A 106 -9.765 12.241 -7.802 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.484 11.682 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.303 13.771 -9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.882 13.842 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.763 15.879 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.537 16.012 -7.761 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.577 11.244 -10.454 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.033 10.625 -11.729 1.00 0.00 C ATOM 1654 C LEU A 107 -12.282 9.131 -11.509 1.00 0.00 C ATOM 1655 O LEU A 107 -13.332 8.610 -11.832 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.950 10.811 -12.796 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.411 10.199 -14.120 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -12.181 11.246 -14.925 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.188 9.742 -14.919 1.00 0.00 C ATOM 0 H LEU A 107 -10.617 11.589 -10.459 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.956 11.101 -12.058 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.738 11.872 -12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.023 10.339 -12.471 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.059 9.345 -13.921 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.510 10.810 -15.869 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.050 11.576 -14.356 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.533 12.099 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.513 9.305 -15.863 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.543 10.598 -15.118 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.636 8.997 -14.346 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.320 8.438 -10.967 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.489 6.977 -10.730 1.00 0.00 C ATOM 1673 C ALA A 108 -12.840 6.704 -10.060 1.00 0.00 C ATOM 1674 O ALA A 108 -13.642 5.937 -10.553 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.361 6.478 -9.824 1.00 0.00 C ATOM 0 H ALA A 108 -10.421 8.822 -10.677 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.455 6.454 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.481 5.409 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.400 6.661 -10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.397 7.008 -8.872 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.094 7.316 -8.935 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.388 7.080 -8.233 1.00 0.00 C ATOM 1683 C GLU A 109 -15.547 7.637 -9.066 1.00 0.00 C ATOM 1684 O GLU A 109 -16.597 7.034 -9.164 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.364 7.773 -6.869 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.071 7.414 -6.134 1.00 0.00 C ATOM 1687 CD GLU A 109 -12.842 5.904 -6.211 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -12.452 5.437 -7.269 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -13.061 5.239 -5.212 1.00 0.00 O ATOM 0 H GLU A 109 -12.462 7.969 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.528 6.008 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.433 8.853 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.227 7.466 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.228 7.943 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.132 7.730 -5.093 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.369 8.783 -9.660 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.464 9.379 -10.477 1.00 0.00 C ATOM 1698 C LYS A 110 -16.999 8.342 -11.468 1.00 0.00 C ATOM 1699 O LYS A 110 -18.149 8.381 -11.859 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.926 10.587 -11.247 1.00 0.00 C ATOM 1701 CG LYS A 110 -17.031 11.158 -12.138 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.520 12.419 -12.841 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.242 13.645 -12.280 1.00 0.00 C ATOM 1704 NZ LYS A 110 -16.902 14.839 -13.104 1.00 0.00 N ATOM 0 H LYS A 110 -14.512 9.334 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.272 9.695 -9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.576 11.349 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.070 10.293 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.337 10.416 -12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.910 11.394 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.444 12.519 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.690 12.344 -13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.319 13.480 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.950 13.810 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.392 15.674 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.875 14.998 -13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.202 14.679 -14.087 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.178 7.416 -11.881 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.649 6.384 -12.850 1.00 0.00 C ATOM 1720 C PHE A 111 -16.979 5.091 -12.100 1.00 0.00 C ATOM 1721 O PHE A 111 -18.129 4.749 -11.905 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.549 6.110 -13.877 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.725 7.030 -15.061 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.792 6.836 -15.947 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.821 8.079 -15.274 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.955 7.689 -17.046 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.983 8.931 -16.373 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.050 8.736 -17.258 1.00 0.00 C ATOM 0 H PHE A 111 -15.204 7.329 -11.591 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.542 6.746 -13.360 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.569 6.264 -13.426 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.591 5.070 -14.202 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.490 6.028 -15.783 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.999 8.230 -14.590 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.778 7.539 -17.729 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.285 9.738 -16.538 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.175 9.394 -18.105 1.00 0.00 H new ATOM 1738 N ASP A 112 -15.977 4.367 -11.682 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.228 3.094 -10.949 1.00 0.00 C ATOM 1740 C ASP A 112 -14.937 2.275 -10.905 1.00 0.00 C ATOM 1741 O ASP A 112 -14.957 1.062 -10.954 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.317 2.295 -11.667 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.624 2.387 -10.876 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.554 2.424 -9.659 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.671 2.419 -11.501 1.00 0.00 O ATOM 0 H ASP A 112 -14.994 4.603 -11.817 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.555 3.316 -9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.462 2.683 -12.675 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.012 1.253 -11.767 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.813 2.933 -10.815 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.518 2.196 -10.770 1.00 0.00 C ATOM 1752 C ILE A 113 -11.743 2.608 -9.517 1.00 0.00 C ATOM 1753 O ILE A 113 -11.959 3.669 -8.963 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.700 2.534 -12.016 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.477 4.046 -12.082 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.463 2.078 -13.261 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.631 4.390 -13.310 1.00 0.00 C ATOM 0 H ILE A 113 -13.736 3.949 -10.771 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.707 1.123 -10.741 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.737 2.025 -11.971 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.435 4.563 -12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.977 4.389 -11.176 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.882 2.318 -14.152 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.627 1.001 -13.213 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.424 2.590 -13.306 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.474 5.468 -13.354 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.667 3.886 -13.241 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.148 4.062 -14.212 1.00 0.00 H new ATOM 1769 N ILE A 114 -10.848 1.777 -9.060 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.068 2.121 -7.839 1.00 0.00 C ATOM 1771 C ILE A 114 -8.637 2.500 -8.229 1.00 0.00 C ATOM 1772 O ILE A 114 -8.060 1.939 -9.141 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.039 0.913 -6.898 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -8.789 0.979 -6.017 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.012 -0.374 -7.723 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.049 0.243 -4.702 1.00 0.00 C ATOM 0 H ILE A 114 -10.623 0.875 -9.479 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.538 2.966 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.928 0.924 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.942 0.530 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.526 2.018 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.991 -1.234 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.902 -0.423 -8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.123 -0.383 -8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.158 0.291 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.884 0.712 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.291 -0.799 -4.910 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.059 3.446 -7.540 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.665 3.863 -7.862 1.00 0.00 C ATOM 1790 C TYR A 115 -5.778 3.639 -6.635 1.00 0.00 C ATOM 1791 O TYR A 115 -5.630 4.506 -5.797 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.653 5.348 -8.248 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.336 5.974 -7.852 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.192 5.752 -8.629 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.260 6.778 -6.709 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -2.973 6.333 -8.261 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.041 7.359 -6.341 1.00 0.00 C ATOM 1798 CZ TYR A 115 -2.897 7.138 -7.117 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.695 7.711 -6.755 1.00 0.00 O ATOM 0 H TYR A 115 -8.493 3.949 -6.766 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.286 3.273 -8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.807 5.454 -9.322 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.475 5.867 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.250 5.133 -9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.142 6.950 -6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.091 6.161 -8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.983 7.978 -5.458 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.337 7.251 -5.967 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.189 2.481 -6.520 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.315 2.205 -5.346 1.00 0.00 C ATOM 1811 C ASP A 116 -3.041 1.497 -5.813 1.00 0.00 C ATOM 1812 O ASP A 116 -2.904 0.296 -5.689 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.062 1.312 -4.351 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.745 1.762 -2.924 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -4.654 2.960 -2.708 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.597 0.902 -2.071 1.00 0.00 O ATOM 0 H ASP A 116 -5.275 1.715 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.050 3.145 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.136 1.368 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.769 0.271 -4.489 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.107 2.234 -6.348 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.842 1.606 -6.822 1.00 0.00 C ATOM 1823 C GLY A 117 -0.071 2.607 -7.683 1.00 0.00 C ATOM 1824 O GLY A 117 -0.105 2.553 -8.897 1.00 0.00 O ATOM 0 H GLY A 117 -2.165 3.244 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.235 1.298 -5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.063 0.708 -7.398 1.00 0.00 H new ATOM 1828 N TRP A 118 0.622 3.523 -7.066 1.00 0.00 N ATOM 1829 CA TRP A 118 1.393 4.528 -7.850 1.00 0.00 C ATOM 1830 C TRP A 118 2.883 4.396 -7.521 1.00 0.00 C ATOM 1831 O TRP A 118 3.260 4.183 -6.385 1.00 0.00 O ATOM 1832 CB TRP A 118 0.903 5.937 -7.493 1.00 0.00 C ATOM 1833 CG TRP A 118 1.720 6.492 -6.368 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.347 6.506 -5.067 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.037 7.109 -6.424 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.355 7.094 -4.322 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.418 7.482 -5.114 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.930 7.377 -7.477 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.643 8.102 -4.857 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.162 8.000 -7.222 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.518 8.362 -5.916 1.00 0.00 C ATOM 0 H TRP A 118 0.688 3.619 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 118 1.244 4.355 -8.916 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.977 6.589 -8.364 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.149 5.904 -7.208 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.417 6.122 -4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.317 7.225 -3.311 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.666 7.102 -8.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.912 8.378 -3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.840 8.202 -8.038 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.467 8.841 -5.728 1.00 0.00 H new ATOM 1852 N GLY A 119 3.733 4.518 -8.502 1.00 0.00 N ATOM 1853 CA GLY A 119 5.194 4.398 -8.237 1.00 0.00 C ATOM 1854 C GLY A 119 5.978 5.161 -9.307 1.00 0.00 C ATOM 1855 O GLY A 119 5.431 5.594 -10.302 1.00 0.00 O ATOM 0 H GLY A 119 3.480 4.695 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.428 4.795 -7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.488 3.348 -8.236 1.00 0.00 H new ATOM 1859 N THR A 120 7.258 5.326 -9.111 1.00 0.00 N ATOM 1860 CA THR A 120 8.080 6.058 -10.114 1.00 0.00 C ATOM 1861 C THR A 120 9.364 5.270 -10.390 1.00 0.00 C ATOM 1862 O THR A 120 9.980 4.736 -9.489 1.00 0.00 O ATOM 1863 CB THR A 120 8.438 7.442 -9.569 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.518 7.980 -10.320 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.845 7.325 -8.099 1.00 0.00 C ATOM 0 H THR A 120 7.770 4.984 -8.298 1.00 0.00 H new ATOM 0 HA THR A 120 7.514 6.168 -11.039 1.00 0.00 H new ATOM 0 HB THR A 120 7.573 8.100 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.216 8.178 -11.231 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.100 8.312 -7.712 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.016 6.913 -7.524 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.710 6.667 -8.012 1.00 0.00 H new ATOM 1873 N TYR A 121 9.772 5.192 -11.627 1.00 0.00 N ATOM 1874 CA TYR A 121 11.014 4.437 -11.954 1.00 0.00 C ATOM 1875 C TYR A 121 12.224 5.151 -11.347 1.00 0.00 C ATOM 1876 O TYR A 121 12.346 6.358 -11.420 1.00 0.00 O ATOM 1877 CB TYR A 121 11.179 4.356 -13.474 1.00 0.00 C ATOM 1878 CG TYR A 121 12.054 3.176 -13.824 1.00 0.00 C ATOM 1879 CD1 TYR A 121 13.440 3.254 -13.644 1.00 0.00 C ATOM 1880 CD2 TYR A 121 11.478 2.002 -14.328 1.00 0.00 C ATOM 1881 CE1 TYR A 121 14.251 2.159 -13.967 1.00 0.00 C ATOM 1882 CE2 TYR A 121 12.290 0.907 -14.652 1.00 0.00 C ATOM 1883 CZ TYR A 121 13.676 0.986 -14.471 1.00 0.00 C ATOM 1884 OH TYR A 121 14.475 -0.093 -14.790 1.00 0.00 O ATOM 0 H TYR A 121 9.300 5.618 -12.424 1.00 0.00 H new ATOM 0 HA TYR A 121 10.943 3.430 -11.542 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.204 4.254 -13.951 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.624 5.277 -13.852 1.00 0.00 H new ATOM 0 HD1 TYR A 121 13.884 4.159 -13.256 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.409 1.941 -14.467 1.00 0.00 H new ATOM 0 HE1 TYR A 121 15.320 2.219 -13.827 1.00 0.00 H new ATOM 0 HE2 TYR A 121 11.847 0.002 -15.041 1.00 0.00 H new ATOM 0 HH TYR A 121 13.917 -0.826 -15.125 1.00 0.00 H new ATOM 1894 N TYR A 122 13.119 4.414 -10.750 1.00 0.00 N ATOM 1895 CA TYR A 122 14.322 5.048 -10.140 1.00 0.00 C ATOM 1896 C TYR A 122 15.418 5.179 -11.198 1.00 0.00 C ATOM 1897 O TYR A 122 15.796 4.216 -11.837 1.00 0.00 O ATOM 1898 CB TYR A 122 14.828 4.175 -8.989 1.00 0.00 C ATOM 1899 CG TYR A 122 16.138 4.726 -8.476 1.00 0.00 C ATOM 1900 CD1 TYR A 122 16.157 5.918 -7.742 1.00 0.00 C ATOM 1901 CD2 TYR A 122 17.332 4.044 -8.733 1.00 0.00 C ATOM 1902 CE1 TYR A 122 17.371 6.428 -7.267 1.00 0.00 C ATOM 1903 CE2 TYR A 122 18.547 4.553 -8.257 1.00 0.00 C ATOM 1904 CZ TYR A 122 18.566 5.746 -7.524 1.00 0.00 C ATOM 1905 OH TYR A 122 19.762 6.249 -7.054 1.00 0.00 O ATOM 0 H TYR A 122 13.070 3.399 -10.658 1.00 0.00 H new ATOM 0 HA TYR A 122 14.061 6.036 -9.761 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.092 4.152 -8.186 1.00 0.00 H new ATOM 0 HB3 TYR A 122 14.962 3.148 -9.329 1.00 0.00 H new ATOM 0 HD1 TYR A 122 15.235 6.444 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 122 17.317 3.124 -9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 122 17.386 7.348 -6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 122 19.468 4.026 -8.455 1.00 0.00 H new ATOM 0 HH TYR A 122 20.494 5.654 -7.319 1.00 0.00 H new ATOM 1915 N GLU A 123 15.933 6.363 -11.392 1.00 0.00 N ATOM 1916 CA GLU A 123 17.004 6.551 -12.411 1.00 0.00 C ATOM 1917 C GLU A 123 18.355 6.161 -11.808 1.00 0.00 C ATOM 1918 O GLU A 123 18.996 6.947 -11.138 1.00 0.00 O ATOM 1919 CB GLU A 123 17.042 8.018 -12.847 1.00 0.00 C ATOM 1920 CG GLU A 123 17.137 8.097 -14.372 1.00 0.00 C ATOM 1921 CD GLU A 123 18.535 7.669 -14.819 1.00 0.00 C ATOM 1922 OE1 GLU A 123 19.482 7.981 -14.114 1.00 0.00 O ATOM 1923 OE2 GLU A 123 18.636 7.037 -15.857 1.00 0.00 O ATOM 0 H GLU A 123 15.658 7.207 -10.889 1.00 0.00 H new ATOM 0 HA GLU A 123 16.798 5.921 -13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.147 8.534 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.896 8.521 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 123 16.385 7.453 -14.828 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.932 9.114 -14.708 1.00 0.00 H new ATOM 1930 N GLY A 124 18.793 4.954 -12.043 1.00 0.00 N ATOM 1931 CA GLY A 124 20.102 4.513 -11.483 1.00 0.00 C ATOM 1932 C GLY A 124 20.225 2.993 -11.608 1.00 0.00 C ATOM 1933 O GLY A 124 20.925 2.484 -12.460 1.00 0.00 O ATOM 0 H GLY A 124 18.301 4.254 -12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 124 20.920 5.000 -12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 124 20.181 4.810 -10.437 1.00 0.00 H new ATOM 1937 N LEU A 125 19.547 2.264 -10.765 1.00 0.00 N ATOM 1938 CA LEU A 125 19.622 0.778 -10.834 1.00 0.00 C ATOM 1939 C LEU A 125 21.087 0.342 -10.920 1.00 0.00 C ATOM 1940 O LEU A 125 21.583 0.002 -11.975 1.00 0.00 O ATOM 1941 CB LEU A 125 18.864 0.287 -12.071 1.00 0.00 C ATOM 1942 CG LEU A 125 17.936 -0.863 -11.680 1.00 0.00 C ATOM 1943 CD1 LEU A 125 16.685 -0.303 -11.002 1.00 0.00 C ATOM 1944 CD2 LEU A 125 17.532 -1.640 -12.936 1.00 0.00 C ATOM 0 H LEU A 125 18.944 2.634 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 125 19.171 0.349 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.286 1.103 -12.504 1.00 0.00 H new ATOM 0 HB3 LEU A 125 19.568 -0.044 -12.834 1.00 0.00 H new ATOM 0 HG LEU A 125 18.454 -1.529 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.024 -1.124 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.973 0.251 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.166 0.364 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.870 -2.461 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.014 -0.973 -13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 125 18.424 -2.040 -13.419 1.00 0.00 H new ATOM 1956 N GLU A 126 21.781 0.348 -9.815 1.00 0.00 N ATOM 1957 CA GLU A 126 23.214 -0.068 -9.831 1.00 0.00 C ATOM 1958 C GLU A 126 23.927 0.575 -11.023 1.00 0.00 C ATOM 1959 O GLU A 126 23.775 0.151 -12.152 1.00 0.00 O ATOM 1960 CB GLU A 126 23.302 -1.590 -9.946 1.00 0.00 C ATOM 1961 CG GLU A 126 22.904 -2.227 -8.614 1.00 0.00 C ATOM 1962 CD GLU A 126 24.145 -2.808 -7.932 1.00 0.00 C ATOM 1963 OE1 GLU A 126 24.806 -3.627 -8.549 1.00 0.00 O ATOM 1964 OE2 GLU A 126 24.412 -2.423 -6.807 1.00 0.00 O ATOM 0 H GLU A 126 21.419 0.623 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 126 23.693 0.257 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 126 22.645 -1.944 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 126 24.316 -1.887 -10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 126 22.437 -1.483 -7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 126 22.167 -3.012 -8.781 1.00 0.00 H new ATOM 1971 N HIS A 127 24.709 1.590 -10.784 1.00 0.00 N ATOM 1972 CA HIS A 127 25.433 2.252 -11.905 1.00 0.00 C ATOM 1973 C HIS A 127 26.938 2.217 -11.629 1.00 0.00 C ATOM 1974 O HIS A 127 27.530 3.199 -11.228 1.00 0.00 O ATOM 1975 CB HIS A 127 24.968 3.705 -12.027 1.00 0.00 C ATOM 1976 CG HIS A 127 25.757 4.392 -13.107 1.00 0.00 C ATOM 1977 ND1 HIS A 127 27.144 4.352 -13.150 1.00 0.00 N ATOM 1978 CD2 HIS A 127 25.372 5.138 -14.195 1.00 0.00 C ATOM 1979 CE1 HIS A 127 27.539 5.053 -14.229 1.00 0.00 C ATOM 1980 NE2 HIS A 127 26.498 5.551 -14.897 1.00 0.00 N ATOM 0 H HIS A 127 24.878 1.990 -9.861 1.00 0.00 H new ATOM 0 HA HIS A 127 25.222 1.726 -12.836 1.00 0.00 H new ATOM 0 HB2 HIS A 127 23.904 3.740 -12.261 1.00 0.00 H new ATOM 0 HB3 HIS A 127 25.103 4.223 -11.077 1.00 0.00 H new ATOM 0 HD1 HIS A 127 27.754 3.877 -12.484 1.00 0.00 H new ATOM 0 HD2 HIS A 127 24.351 5.368 -14.463 1.00 0.00 H new ATOM 0 HE1 HIS A 127 28.570 5.194 -14.518 1.00 0.00 H new ATOM 1988 N HIS A 128 27.561 1.090 -11.838 1.00 0.00 N ATOM 1989 CA HIS A 128 29.026 0.988 -11.585 1.00 0.00 C ATOM 1990 C HIS A 128 29.794 1.567 -12.775 1.00 0.00 C ATOM 1991 O HIS A 128 30.277 2.681 -12.731 1.00 0.00 O ATOM 1992 CB HIS A 128 29.408 -0.481 -11.396 1.00 0.00 C ATOM 1993 CG HIS A 128 30.613 -0.574 -10.502 1.00 0.00 C ATOM 1994 ND1 HIS A 128 31.896 -0.305 -10.958 1.00 0.00 N ATOM 1995 CD2 HIS A 128 30.750 -0.903 -9.175 1.00 0.00 C ATOM 1996 CE1 HIS A 128 32.740 -0.475 -9.924 1.00 0.00 C ATOM 1997 NE2 HIS A 128 32.092 -0.840 -8.817 1.00 0.00 N ATOM 0 H HIS A 128 27.118 0.234 -12.173 1.00 0.00 H new ATOM 0 HA HIS A 128 29.279 1.549 -10.685 1.00 0.00 H new ATOM 0 HB2 HIS A 128 28.575 -1.031 -10.959 1.00 0.00 H new ATOM 0 HB3 HIS A 128 29.622 -0.939 -12.362 1.00 0.00 H new ATOM 0 HD2 HIS A 128 29.940 -1.169 -8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 128 33.809 -0.333 -9.983 1.00 0.00 H new ATOM 0 HE2 HIS A 128 32.496 -1.032 -7.900 1.00 0.00 H new ATOM 2005 N HIS A 129 29.916 0.817 -13.837 1.00 0.00 N ATOM 2006 CA HIS A 129 30.656 1.326 -15.027 1.00 0.00 C ATOM 2007 C HIS A 129 30.586 0.293 -16.152 1.00 0.00 C ATOM 2008 O HIS A 129 31.413 0.274 -17.042 1.00 0.00 O ATOM 2009 CB HIS A 129 32.118 1.575 -14.652 1.00 0.00 C ATOM 2010 CG HIS A 129 32.673 2.680 -15.509 1.00 0.00 C ATOM 2011 ND1 HIS A 129 32.109 3.020 -16.730 1.00 0.00 N ATOM 2012 CD2 HIS A 129 33.734 3.535 -15.333 1.00 0.00 C ATOM 2013 CE1 HIS A 129 32.827 4.039 -17.239 1.00 0.00 C ATOM 2014 NE2 HIS A 129 33.826 4.388 -16.427 1.00 0.00 N ATOM 0 H HIS A 129 29.536 -0.125 -13.932 1.00 0.00 H new ATOM 0 HA HIS A 129 30.204 2.259 -15.363 1.00 0.00 H new ATOM 0 HB2 HIS A 129 32.194 1.844 -13.598 1.00 0.00 H new ATOM 0 HB3 HIS A 129 32.701 0.664 -14.791 1.00 0.00 H new ATOM 0 HD2 HIS A 129 34.394 3.543 -14.478 1.00 0.00 H new ATOM 0 HE1 HIS A 129 32.620 4.514 -18.186 1.00 0.00 H new ATOM 0 HE2 HIS A 129 34.514 5.126 -16.577 1.00 0.00 H new ATOM 2022 N HIS A 130 29.604 -0.566 -16.120 1.00 0.00 N ATOM 2023 CA HIS A 130 29.482 -1.597 -17.189 1.00 0.00 C ATOM 2024 C HIS A 130 28.065 -1.562 -17.768 1.00 0.00 C ATOM 2025 O HIS A 130 27.730 -2.318 -18.658 1.00 0.00 O ATOM 2026 CB HIS A 130 29.763 -2.981 -16.600 1.00 0.00 C ATOM 2027 CG HIS A 130 28.933 -3.179 -15.361 1.00 0.00 C ATOM 2028 ND1 HIS A 130 29.501 -3.286 -14.099 1.00 0.00 N ATOM 2029 CD2 HIS A 130 27.578 -3.297 -15.173 1.00 0.00 C ATOM 2030 CE1 HIS A 130 28.499 -3.460 -13.216 1.00 0.00 C ATOM 2031 NE2 HIS A 130 27.311 -3.473 -13.821 1.00 0.00 N ATOM 0 H HIS A 130 28.882 -0.598 -15.401 1.00 0.00 H new ATOM 0 HA HIS A 130 30.203 -1.390 -17.980 1.00 0.00 H new ATOM 0 HB2 HIS A 130 29.531 -3.754 -17.333 1.00 0.00 H new ATOM 0 HB3 HIS A 130 30.822 -3.077 -16.360 1.00 0.00 H new ATOM 0 HD2 HIS A 130 26.834 -3.259 -15.955 1.00 0.00 H new ATOM 0 HE1 HIS A 130 28.640 -3.575 -12.151 1.00 0.00 H new ATOM 0 HE2 HIS A 130 26.397 -3.588 -13.383 1.00 0.00 H new ATOM 2039 N HIS A 131 27.232 -0.688 -17.271 1.00 0.00 N ATOM 2040 CA HIS A 131 25.839 -0.603 -17.793 1.00 0.00 C ATOM 2041 C HIS A 131 25.860 -0.006 -19.202 1.00 0.00 C ATOM 2042 O HIS A 131 26.667 0.848 -19.511 1.00 0.00 O ATOM 2043 CB HIS A 131 25.004 0.289 -16.872 1.00 0.00 C ATOM 2044 CG HIS A 131 23.545 0.129 -17.202 1.00 0.00 C ATOM 2045 ND1 HIS A 131 22.936 -1.115 -17.284 1.00 0.00 N ATOM 2046 CD2 HIS A 131 22.558 1.048 -17.468 1.00 0.00 C ATOM 2047 CE1 HIS A 131 21.640 -0.915 -17.588 1.00 0.00 C ATOM 2048 NE2 HIS A 131 21.360 0.383 -17.711 1.00 0.00 N ATOM 0 H HIS A 131 27.457 -0.029 -16.526 1.00 0.00 H new ATOM 0 HA HIS A 131 25.400 -1.600 -17.827 1.00 0.00 H new ATOM 0 HB2 HIS A 131 25.183 0.022 -15.830 1.00 0.00 H new ATOM 0 HB3 HIS A 131 25.302 1.331 -16.990 1.00 0.00 H new ATOM 0 HD2 HIS A 131 22.692 2.120 -17.486 1.00 0.00 H new ATOM 0 HE1 HIS A 131 20.917 -1.707 -17.716 1.00 0.00 H new ATOM 0 HE2 HIS A 131 20.457 0.801 -17.936 1.00 0.00 H new ATOM 2056 N HIS A 132 24.981 -0.447 -20.059 1.00 0.00 N ATOM 2057 CA HIS A 132 24.954 0.097 -21.445 1.00 0.00 C ATOM 2058 C HIS A 132 23.682 -0.371 -22.155 1.00 0.00 C ATOM 2059 O HIS A 132 23.584 -1.555 -22.433 1.00 0.00 O ATOM 2060 CB HIS A 132 26.182 -0.402 -22.211 1.00 0.00 C ATOM 2061 CG HIS A 132 27.271 0.632 -22.139 1.00 0.00 C ATOM 2062 ND1 HIS A 132 27.074 1.945 -22.547 1.00 0.00 N ATOM 2063 CD2 HIS A 132 28.574 0.566 -21.706 1.00 0.00 C ATOM 2064 CE1 HIS A 132 28.229 2.608 -22.353 1.00 0.00 C ATOM 2065 NE2 HIS A 132 29.171 1.814 -21.843 1.00 0.00 N ATOM 2066 OXT HIS A 132 22.828 0.462 -22.408 1.00 0.00 O ATOM 0 H HIS A 132 24.280 -1.161 -19.859 1.00 0.00 H new ATOM 0 HA HIS A 132 24.966 1.186 -21.408 1.00 0.00 H new ATOM 0 HB2 HIS A 132 26.531 -1.343 -21.787 1.00 0.00 H new ATOM 0 HB3 HIS A 132 25.920 -0.599 -23.251 1.00 0.00 H new ATOM 0 HD2 HIS A 132 29.059 -0.318 -21.319 1.00 0.00 H new ATOM 0 HE1 HIS A 132 28.375 3.653 -22.582 1.00 0.00 H new ATOM 0 HE2 HIS A 132 30.129 2.069 -21.603 1.00 0.00 H new TER 2074 HIS A 132