USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1067 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 96 TYR OH : rot 22:sc= 1.1 USER MOD Set 1.2: A 119 TYR OH : rot -125:sc= -1.28! USER MOD Set 2.1: A 48 ASN : amide:sc= 0.93 K(o=2.2,f=-12!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 156:sc= 1.24 (180deg=-0.472) USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= 0.168 USER MOD Set 3.2: A 110 THR OG1 : rot 140:sc= 0.377 USER MOD Set 4.1: A 38 SER OG : rot -103:sc= 1.36 USER MOD Set 4.2: A 39 HIS : no HD1:sc= 1.04 K(o=2.4,f=-6.6!) USER MOD Single : A 8 GLN : amide:sc= -0.497 K(o=-0.5,f=-3.4) USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= 0.88 (180deg=-0.577!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -0.0326 (180deg=-0.276) USER MOD Single : A 21 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.00677 K(o=0.0068,f=-6.2!) USER MOD Single : A 25 TYR OH : rot 150:sc= 0.63 USER MOD Single : A 26 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.3) USER MOD Single : A 29 TYR OH : rot 140:sc= 0.164 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 1.05 K(o=1,f=-4.8!) USER MOD Single : A 36 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : A 50 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc=-0.000856 F(o=-0.89,f=-0.00086) USER MOD Single : A 57 ASN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= -0.0471 (180deg=-0.24) USER MOD Single : A 77 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.9!) USER MOD Single : A 81 THR OG1 : rot -78:sc= 0.41 USER MOD Single : A 82 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 83 SER OG : rot 122:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc=-0.00164 X(o=-0.0016,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.725 USER MOD Single : A 92 THR OG1 : rot 104:sc= 1.38 USER MOD Single : A 94 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 99 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= -0.0653 (180deg=-0.504) USER MOD Single : A 111 ASN : amide:sc= -0.589! C(o=-0.59!,f=-6.2!) USER MOD Single : A 113 HIS : no HE2:sc= 0.936 K(o=0.94,f=-6.8!) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0162 F(o=-1.7,f=-0.016) USER MOD Single : A 116 LYS NZ :NH3+ -121:sc= 0.827 (180deg=-0.173) USER MOD Single : A 118 TYR OH : rot 30:sc=-0.00242 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 129:sc= 0.41 USER MOD Single : A 124 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.19) USER MOD Single : A 125 SER OG : rot 92:sc= 1.25 USER MOD Single : A 129 THR OG1 : rot -114:sc= 0.133 USER MOD Single : A 131 SER OG : rot 103:sc= 0.77 USER MOD Single : A 133 GLN : amide:sc= -0.809 K(o=-0.81,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -7.446 13.506 -14.709 1.00 0.00 N ATOM 2 CA ASP A 7 -6.394 14.321 -14.108 1.00 0.00 C ATOM 3 C ASP A 7 -6.354 14.147 -12.609 1.00 0.00 C ATOM 4 O ASP A 7 -5.325 14.386 -11.985 1.00 0.00 O ATOM 5 CB ASP A 7 -6.575 15.789 -14.440 1.00 0.00 C ATOM 6 CG ASP A 7 -7.795 16.409 -13.785 1.00 0.00 C ATOM 7 OD1 ASP A 7 -8.922 16.157 -14.256 1.00 0.00 O ATOM 8 OD2 ASP A 7 -7.635 17.164 -12.805 1.00 0.00 O ATOM 0 HA ASP A 7 -5.449 13.978 -14.529 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.686 16.337 -14.127 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.655 15.902 -15.521 1.00 0.00 H new ATOM 13 N GLN A 8 -7.465 13.724 -12.025 1.00 0.00 N ATOM 14 CA GLN A 8 -7.482 13.374 -10.615 1.00 0.00 C ATOM 15 C GLN A 8 -6.505 12.220 -10.396 1.00 0.00 C ATOM 16 O GLN A 8 -6.002 11.997 -9.294 1.00 0.00 O ATOM 17 CB GLN A 8 -8.900 12.996 -10.185 1.00 0.00 C ATOM 18 CG GLN A 8 -9.064 12.779 -8.692 1.00 0.00 C ATOM 19 CD GLN A 8 -10.508 12.536 -8.303 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.979 11.400 -8.287 1.00 0.00 O ATOM 21 NE2 GLN A 8 -11.224 13.605 -7.998 1.00 0.00 N ATOM 0 H GLN A 8 -8.360 13.616 -12.502 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.174 14.224 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.585 13.782 -10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.195 12.086 -10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.458 11.928 -8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.687 13.650 -8.157 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.795 14.530 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.205 13.504 -7.737 1.00 0.00 H new ATOM 30 N VAL A 9 -6.205 11.533 -11.495 1.00 0.00 N ATOM 31 CA VAL A 9 -5.238 10.449 -11.501 1.00 0.00 C ATOM 32 C VAL A 9 -3.838 11.003 -11.253 1.00 0.00 C ATOM 33 O VAL A 9 -3.025 10.392 -10.556 1.00 0.00 O ATOM 34 CB VAL A 9 -5.252 9.704 -12.855 1.00 0.00 C ATOM 35 CG1 VAL A 9 -4.379 8.460 -12.806 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.676 9.359 -13.263 1.00 0.00 C ATOM 0 H VAL A 9 -6.628 11.715 -12.405 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.509 9.750 -10.710 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.835 10.369 -13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.408 7.957 -13.772 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.352 8.745 -12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.750 7.786 -12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.664 8.835 -14.219 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.127 8.719 -12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.259 10.275 -13.359 1.00 0.00 H new ATOM 46 N VAL A 10 -3.582 12.186 -11.810 1.00 0.00 N ATOM 47 CA VAL A 10 -2.286 12.840 -11.690 1.00 0.00 C ATOM 48 C VAL A 10 -1.972 13.157 -10.231 1.00 0.00 C ATOM 49 O VAL A 10 -0.841 12.983 -9.780 1.00 0.00 O ATOM 50 CB VAL A 10 -2.234 14.142 -12.528 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.902 14.859 -12.352 1.00 0.00 C ATOM 52 CG2 VAL A 10 -2.486 13.838 -13.995 1.00 0.00 C ATOM 0 H VAL A 10 -4.265 12.713 -12.354 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.536 12.149 -12.074 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.020 14.805 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.896 15.769 -12.952 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.763 15.116 -11.302 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.092 14.206 -12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.446 14.763 -14.570 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.723 13.150 -14.360 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.470 13.382 -14.108 1.00 0.00 H new ATOM 62 N ILE A 11 -2.983 13.608 -9.495 1.00 0.00 N ATOM 63 CA ILE A 11 -2.808 13.956 -8.088 1.00 0.00 C ATOM 64 C ILE A 11 -2.455 12.720 -7.263 1.00 0.00 C ATOM 65 O ILE A 11 -1.445 12.709 -6.557 1.00 0.00 O ATOM 66 CB ILE A 11 -4.070 14.636 -7.486 1.00 0.00 C ATOM 67 CG1 ILE A 11 -4.247 16.059 -8.034 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.993 14.673 -5.965 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.737 16.119 -9.463 1.00 0.00 C ATOM 0 H ILE A 11 -3.931 13.741 -9.848 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.987 14.671 -8.045 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.935 14.041 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.951 16.596 -7.398 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.293 16.583 -7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.887 15.153 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.925 13.656 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.112 15.237 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.835 17.160 -9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.024 15.614 -10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.707 15.627 -9.536 1.00 0.00 H new ATOM 81 N PHE A 12 -3.278 11.679 -7.367 1.00 0.00 N ATOM 82 CA PHE A 12 -3.070 10.461 -6.586 1.00 0.00 C ATOM 83 C PHE A 12 -1.717 9.822 -6.885 1.00 0.00 C ATOM 84 O PHE A 12 -0.956 9.500 -5.966 1.00 0.00 O ATOM 85 CB PHE A 12 -4.187 9.451 -6.849 1.00 0.00 C ATOM 86 CG PHE A 12 -5.470 9.753 -6.131 1.00 0.00 C ATOM 87 CD1 PHE A 12 -6.439 10.545 -6.718 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.706 9.234 -4.869 1.00 0.00 C ATOM 89 CE1 PHE A 12 -7.623 10.816 -6.060 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.888 9.501 -4.206 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.848 10.294 -4.804 1.00 0.00 C ATOM 0 H PHE A 12 -4.092 11.654 -7.981 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.086 10.748 -5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.383 9.414 -7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.843 8.460 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.269 10.956 -7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.958 8.614 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.372 11.437 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.061 9.091 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.773 10.505 -4.288 1.00 0.00 H new ATOM 101 N LYS A 13 -1.407 9.647 -8.167 1.00 0.00 N ATOM 102 CA LYS A 13 -0.157 9.008 -8.560 1.00 0.00 C ATOM 103 C LYS A 13 1.038 9.826 -8.081 1.00 0.00 C ATOM 104 O LYS A 13 2.033 9.267 -7.622 1.00 0.00 O ATOM 105 CB LYS A 13 -0.095 8.814 -10.077 1.00 0.00 C ATOM 106 CG LYS A 13 1.200 8.171 -10.549 1.00 0.00 C ATOM 107 CD LYS A 13 1.269 8.087 -12.063 1.00 0.00 C ATOM 108 CE LYS A 13 2.578 7.462 -12.528 1.00 0.00 C ATOM 109 NZ LYS A 13 3.759 8.298 -12.181 1.00 0.00 N ATOM 0 H LYS A 13 -2.000 9.937 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.118 8.026 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.935 8.195 -10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.211 9.782 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.048 8.747 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.284 7.170 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.431 7.497 -12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.170 9.085 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.688 6.476 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.544 7.315 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.141 8.735 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.473 9.042 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.490 7.702 -11.743 1.00 0.00 H new ATOM 123 N GLN A 14 0.916 11.150 -8.163 1.00 0.00 N ATOM 124 CA GLN A 14 1.973 12.060 -7.728 1.00 0.00 C ATOM 125 C GLN A 14 2.351 11.790 -6.277 1.00 0.00 C ATOM 126 O GLN A 14 3.528 11.843 -5.912 1.00 0.00 O ATOM 127 CB GLN A 14 1.520 13.512 -7.891 1.00 0.00 C ATOM 128 CG GLN A 14 2.563 14.535 -7.476 1.00 0.00 C ATOM 129 CD GLN A 14 2.111 15.964 -7.713 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.290 16.168 -8.732 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 2.499 16.878 -6.987 1.00 0.00 N flip ATOM 0 H GLN A 14 0.088 11.619 -8.530 1.00 0.00 H new ATOM 0 HA GLN A 14 2.851 11.890 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.253 13.683 -8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.617 13.669 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.795 14.403 -6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.484 14.353 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.132 16.680 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.188 17.834 -7.160 1.00 0.00 H new ATOM 140 N ILE A 15 1.345 11.491 -5.463 1.00 0.00 N ATOM 141 CA ILE A 15 1.557 11.165 -4.061 1.00 0.00 C ATOM 142 C ILE A 15 2.449 9.932 -3.931 1.00 0.00 C ATOM 143 O ILE A 15 3.453 9.946 -3.212 1.00 0.00 O ATOM 144 CB ILE A 15 0.217 10.893 -3.341 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.749 12.060 -3.555 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.451 10.660 -1.855 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.158 11.777 -3.077 1.00 0.00 C ATOM 0 H ILE A 15 0.368 11.468 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 15 2.042 12.023 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.229 9.993 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.367 12.937 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.777 12.307 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.502 10.470 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.107 9.800 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.916 11.543 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.786 12.648 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.560 10.919 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.143 11.559 -2.009 1.00 0.00 H new ATOM 159 N PHE A 16 2.089 8.875 -4.656 1.00 0.00 N ATOM 160 CA PHE A 16 2.820 7.614 -4.592 1.00 0.00 C ATOM 161 C PHE A 16 4.215 7.740 -5.203 1.00 0.00 C ATOM 162 O PHE A 16 5.170 7.143 -4.702 1.00 0.00 O ATOM 163 CB PHE A 16 2.033 6.497 -5.287 1.00 0.00 C ATOM 164 CG PHE A 16 0.810 6.063 -4.525 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.407 6.699 -4.715 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.878 5.018 -3.619 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.530 6.301 -4.014 1.00 0.00 C ATOM 168 CE2 PHE A 16 -0.242 4.614 -2.916 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.448 5.258 -3.114 1.00 0.00 C ATOM 0 H PHE A 16 1.294 8.868 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 16 2.939 7.358 -3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.733 6.837 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.687 5.637 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.479 7.515 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.819 4.512 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.472 6.806 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.174 3.797 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.325 4.946 -2.566 1.00 0.00 H new ATOM 179 N ASP A 17 4.337 8.527 -6.268 1.00 0.00 N ATOM 180 CA ASP A 17 5.634 8.733 -6.915 1.00 0.00 C ATOM 181 C ASP A 17 6.646 9.320 -5.939 1.00 0.00 C ATOM 182 O ASP A 17 7.812 8.928 -5.923 1.00 0.00 O ATOM 183 CB ASP A 17 5.523 9.674 -8.118 1.00 0.00 C ATOM 184 CG ASP A 17 4.849 9.050 -9.326 1.00 0.00 C ATOM 185 OD1 ASP A 17 5.250 7.944 -9.744 1.00 0.00 O ATOM 186 OD2 ASP A 17 3.942 9.692 -9.893 1.00 0.00 O ATOM 0 H ASP A 17 3.562 9.030 -6.700 1.00 0.00 H new ATOM 0 HA ASP A 17 5.970 7.753 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.966 10.563 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.522 10.004 -8.402 1.00 0.00 H new ATOM 191 N LYS A 18 6.193 10.266 -5.128 1.00 0.00 N ATOM 192 CA LYS A 18 7.081 10.971 -4.216 1.00 0.00 C ATOM 193 C LYS A 18 7.424 10.114 -3.000 1.00 0.00 C ATOM 194 O LYS A 18 8.588 10.028 -2.602 1.00 0.00 O ATOM 195 CB LYS A 18 6.446 12.292 -3.780 1.00 0.00 C ATOM 196 CG LYS A 18 6.166 13.239 -4.939 1.00 0.00 C ATOM 197 CD LYS A 18 7.444 13.625 -5.668 1.00 0.00 C ATOM 198 CE LYS A 18 7.153 14.447 -6.914 1.00 0.00 C ATOM 199 NZ LYS A 18 6.407 13.662 -7.935 1.00 0.00 N ATOM 0 H LYS A 18 5.218 10.562 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 18 8.011 11.182 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.513 12.083 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.106 12.787 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.477 12.766 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.674 14.137 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.088 14.195 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.991 12.724 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.574 15.329 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.091 14.801 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.434 14.163 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.846 12.725 -8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.419 13.548 -7.631 1.00 0.00 H new ATOM 213 N VAL A 19 6.416 9.457 -2.427 1.00 0.00 N ATOM 214 CA VAL A 19 6.621 8.660 -1.222 1.00 0.00 C ATOM 215 C VAL A 19 7.508 7.446 -1.509 1.00 0.00 C ATOM 216 O VAL A 19 8.184 6.938 -0.614 1.00 0.00 O ATOM 217 CB VAL A 19 5.281 8.198 -0.601 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.582 7.180 -1.490 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.499 7.637 0.798 1.00 0.00 C ATOM 0 H VAL A 19 5.457 9.461 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 19 7.124 9.303 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 19 4.632 9.070 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.644 6.875 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.377 7.626 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.223 6.308 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.544 7.318 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.175 6.784 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.934 8.407 1.435 1.00 0.00 H new ATOM 229 N ARG A 20 7.511 7.008 -2.767 1.00 0.00 N ATOM 230 CA ARG A 20 8.341 5.889 -3.206 1.00 0.00 C ATOM 231 C ARG A 20 9.801 6.099 -2.821 1.00 0.00 C ATOM 232 O ARG A 20 10.447 5.202 -2.275 1.00 0.00 O ATOM 233 CB ARG A 20 8.246 5.734 -4.726 1.00 0.00 C ATOM 234 CG ARG A 20 9.169 4.664 -5.292 1.00 0.00 C ATOM 235 CD ARG A 20 9.403 4.853 -6.785 1.00 0.00 C ATOM 236 NE ARG A 20 10.068 6.124 -7.080 1.00 0.00 N ATOM 237 CZ ARG A 20 11.337 6.226 -7.482 1.00 0.00 C ATOM 238 NH1 ARG A 20 12.080 5.136 -7.638 1.00 0.00 N ATOM 239 NH2 ARG A 20 11.862 7.422 -7.721 1.00 0.00 N ATOM 0 H ARG A 20 6.941 7.417 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 20 7.974 4.989 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.217 5.492 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.482 6.689 -5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.124 4.693 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.737 3.679 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.009 4.030 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.448 4.813 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 20 9.529 6.983 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.681 4.216 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.049 5.219 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.296 8.261 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.831 7.501 -8.028 1.00 0.00 H new ATOM 253 N ASN A 21 10.306 7.290 -3.101 1.00 0.00 N ATOM 254 CA ASN A 21 11.722 7.576 -2.939 1.00 0.00 C ATOM 255 C ASN A 21 11.986 8.418 -1.702 1.00 0.00 C ATOM 256 O ASN A 21 12.914 8.143 -0.946 1.00 0.00 O ATOM 257 CB ASN A 21 12.248 8.304 -4.176 1.00 0.00 C ATOM 258 CG ASN A 21 13.731 8.614 -4.090 1.00 0.00 C ATOM 259 OD1 ASN A 21 14.571 7.798 -4.469 1.00 0.00 O ATOM 260 ND2 ASN A 21 14.065 9.801 -3.605 1.00 0.00 N ATOM 0 H ASN A 21 9.754 8.077 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 21 12.242 6.626 -2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.060 7.693 -5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.694 9.234 -4.308 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.048 10.065 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.339 10.450 -3.301 1.00 0.00 H new ATOM 267 N ASP A 22 11.171 9.443 -1.498 1.00 0.00 N ATOM 268 CA ASP A 22 11.434 10.418 -0.448 1.00 0.00 C ATOM 269 C ASP A 22 10.941 9.921 0.908 1.00 0.00 C ATOM 270 O ASP A 22 11.496 10.282 1.947 1.00 0.00 O ATOM 271 CB ASP A 22 10.784 11.758 -0.790 1.00 0.00 C ATOM 272 CG ASP A 22 11.124 12.843 0.212 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.276 13.325 0.210 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.236 13.235 0.989 1.00 0.00 O ATOM 0 H ASP A 22 10.327 9.621 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 22 12.513 10.555 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.107 12.071 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.702 11.633 -0.831 1.00 0.00 H new ATOM 279 N LEU A 23 9.908 9.077 0.883 1.00 0.00 N ATOM 280 CA LEU A 23 9.337 8.493 2.099 1.00 0.00 C ATOM 281 C LEU A 23 8.704 9.565 2.988 1.00 0.00 C ATOM 282 O LEU A 23 8.709 9.453 4.214 1.00 0.00 O ATOM 283 CB LEU A 23 10.405 7.714 2.881 1.00 0.00 C ATOM 284 CG LEU A 23 11.007 6.514 2.148 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.118 5.888 2.977 1.00 0.00 C ATOM 286 CD2 LEU A 23 9.935 5.482 1.834 1.00 0.00 C ATOM 0 H LEU A 23 9.445 8.780 0.024 1.00 0.00 H new ATOM 0 HA LEU A 23 8.552 7.801 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.211 8.399 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.965 7.365 3.815 1.00 0.00 H new ATOM 0 HG LEU A 23 11.430 6.866 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.536 5.036 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.901 6.626 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.715 5.553 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.385 4.637 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.481 5.135 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.170 5.933 1.202 1.00 0.00 H new ATOM 298 N ASN A 24 8.139 10.590 2.361 1.00 0.00 N ATOM 299 CA ASN A 24 7.467 11.656 3.094 1.00 0.00 C ATOM 300 C ASN A 24 6.060 11.224 3.512 1.00 0.00 C ATOM 301 O ASN A 24 5.070 11.497 2.833 1.00 0.00 O ATOM 302 CB ASN A 24 7.426 12.959 2.277 1.00 0.00 C ATOM 303 CG ASN A 24 6.827 12.805 0.884 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.937 11.754 0.249 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.207 13.867 0.390 1.00 0.00 N ATOM 0 H ASN A 24 8.133 10.705 1.348 1.00 0.00 H new ATOM 0 HA ASN A 24 8.043 11.854 3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.849 13.702 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.440 13.348 2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.801 13.832 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.136 14.720 0.945 1.00 0.00 H new ATOM 312 N TYR A 25 5.990 10.539 4.648 1.00 0.00 N ATOM 313 CA TYR A 25 4.740 9.978 5.146 1.00 0.00 C ATOM 314 C TYR A 25 3.783 11.060 5.630 1.00 0.00 C ATOM 315 O TYR A 25 2.565 10.904 5.537 1.00 0.00 O ATOM 316 CB TYR A 25 5.024 8.984 6.276 1.00 0.00 C ATOM 317 CG TYR A 25 5.174 7.549 5.812 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.633 7.242 4.534 1.00 0.00 C ATOM 319 CD2 TYR A 25 4.845 6.497 6.657 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.754 5.929 4.115 1.00 0.00 C ATOM 321 CE2 TYR A 25 4.966 5.182 6.247 1.00 0.00 C ATOM 322 CZ TYR A 25 5.418 4.903 4.976 1.00 0.00 C ATOM 323 OH TYR A 25 5.531 3.593 4.560 1.00 0.00 O ATOM 0 H TYR A 25 6.795 10.358 5.247 1.00 0.00 H new ATOM 0 HA TYR A 25 4.258 9.460 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.936 9.286 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.215 9.037 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.899 8.042 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.488 6.710 7.654 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.109 5.708 3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.707 4.378 6.920 1.00 0.00 H new ATOM 0 HH TYR A 25 5.728 3.021 5.331 1.00 0.00 H new ATOM 333 N GLN A 26 4.333 12.160 6.126 1.00 0.00 N ATOM 334 CA GLN A 26 3.519 13.251 6.651 1.00 0.00 C ATOM 335 C GLN A 26 2.686 13.890 5.545 1.00 0.00 C ATOM 336 O GLN A 26 1.551 14.308 5.774 1.00 0.00 O ATOM 337 CB GLN A 26 4.401 14.294 7.334 1.00 0.00 C ATOM 338 CG GLN A 26 5.126 13.758 8.559 1.00 0.00 C ATOM 339 CD GLN A 26 4.166 13.336 9.657 1.00 0.00 C ATOM 340 OE1 GLN A 26 3.711 12.194 9.698 1.00 0.00 O ATOM 341 NE2 GLN A 26 3.856 14.254 10.557 1.00 0.00 N ATOM 0 H GLN A 26 5.339 12.322 6.176 1.00 0.00 H new ATOM 0 HA GLN A 26 2.834 12.839 7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.135 14.664 6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.786 15.144 7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.742 12.906 8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.800 14.523 8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.254 15.190 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.218 14.026 11.320 1.00 0.00 H new ATOM 350 N TRP A 27 3.247 13.958 4.346 1.00 0.00 N ATOM 351 CA TRP A 27 2.501 14.446 3.195 1.00 0.00 C ATOM 352 C TRP A 27 1.676 13.313 2.596 1.00 0.00 C ATOM 353 O TRP A 27 0.537 13.516 2.172 1.00 0.00 O ATOM 354 CB TRP A 27 3.450 15.031 2.144 1.00 0.00 C ATOM 355 CG TRP A 27 2.742 15.655 0.977 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.017 16.812 0.985 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.698 15.162 -0.369 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.521 17.068 -0.269 1.00 0.00 N ATOM 359 CE2 TRP A 27 1.925 16.070 -1.118 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.234 14.041 -1.015 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.680 15.896 -2.476 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.986 13.869 -2.364 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.214 14.792 -3.081 1.00 0.00 C ATOM 0 H TRP A 27 4.209 13.684 4.146 1.00 0.00 H new ATOM 0 HA TRP A 27 1.829 15.239 3.523 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.085 15.781 2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.107 14.241 1.780 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.857 17.435 1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.946 17.870 -0.527 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.830 13.324 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.089 16.608 -3.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.394 13.009 -2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.037 14.628 -4.134 1.00 0.00 H new ATOM 374 N PHE A 28 2.262 12.117 2.590 1.00 0.00 N ATOM 375 CA PHE A 28 1.615 10.920 2.060 1.00 0.00 C ATOM 376 C PHE A 28 0.245 10.700 2.702 1.00 0.00 C ATOM 377 O PHE A 28 -0.771 10.641 2.009 1.00 0.00 O ATOM 378 CB PHE A 28 2.525 9.705 2.300 1.00 0.00 C ATOM 379 CG PHE A 28 1.996 8.404 1.767 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.719 8.248 0.420 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.788 7.330 2.620 1.00 0.00 C ATOM 382 CE1 PHE A 28 1.241 7.047 -0.069 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.313 6.126 2.137 1.00 0.00 C ATOM 384 CZ PHE A 28 1.040 5.984 0.792 1.00 0.00 C ATOM 0 H PHE A 28 3.201 11.951 2.953 1.00 0.00 H new ATOM 0 HA PHE A 28 1.456 11.051 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.495 9.900 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.692 9.601 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.878 9.074 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.000 7.436 3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.025 6.939 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.156 5.297 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.670 5.043 0.412 1.00 0.00 H new ATOM 394 N TYR A 29 0.216 10.607 4.025 1.00 0.00 N ATOM 395 CA TYR A 29 -1.030 10.345 4.733 1.00 0.00 C ATOM 396 C TYR A 29 -1.952 11.553 4.711 1.00 0.00 C ATOM 397 O TYR A 29 -3.171 11.407 4.776 1.00 0.00 O ATOM 398 CB TYR A 29 -0.761 9.927 6.178 1.00 0.00 C ATOM 399 CG TYR A 29 -0.144 8.556 6.301 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.749 7.450 5.715 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.040 8.362 6.997 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.192 6.193 5.822 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.604 7.108 7.107 1.00 0.00 C ATOM 404 CZ TYR A 29 0.984 6.028 6.518 1.00 0.00 C ATOM 405 OH TYR A 29 1.540 4.776 6.625 1.00 0.00 O ATOM 0 H TYR A 29 1.034 10.708 4.626 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.526 9.526 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.099 10.658 6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.698 9.947 6.734 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.671 7.577 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.528 9.207 7.460 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.675 5.343 5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.527 6.974 7.652 1.00 0.00 H new ATOM 0 HH TYR A 29 2.513 4.840 6.523 1.00 0.00 H new ATOM 415 N SER A 30 -1.373 12.740 4.610 1.00 0.00 N ATOM 416 CA SER A 30 -2.159 13.963 4.587 1.00 0.00 C ATOM 417 C SER A 30 -3.030 13.994 3.336 1.00 0.00 C ATOM 418 O SER A 30 -4.243 14.178 3.417 1.00 0.00 O ATOM 419 CB SER A 30 -1.245 15.189 4.640 1.00 0.00 C ATOM 420 OG SER A 30 -1.984 16.375 4.890 1.00 0.00 O ATOM 0 H SER A 30 -0.365 12.882 4.543 1.00 0.00 H new ATOM 0 HA SER A 30 -2.805 13.985 5.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.497 15.053 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.708 15.285 3.697 1.00 0.00 H new ATOM 0 HG SER A 30 -1.373 17.141 4.920 1.00 0.00 H new ATOM 426 N GLU A 31 -2.408 13.775 2.182 1.00 0.00 N ATOM 427 CA GLU A 31 -3.132 13.757 0.922 1.00 0.00 C ATOM 428 C GLU A 31 -4.056 12.552 0.833 1.00 0.00 C ATOM 429 O GLU A 31 -5.173 12.662 0.327 1.00 0.00 O ATOM 430 CB GLU A 31 -2.162 13.775 -0.256 1.00 0.00 C ATOM 431 CG GLU A 31 -1.615 15.160 -0.560 1.00 0.00 C ATOM 432 CD GLU A 31 -2.714 16.148 -0.894 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.101 16.240 -2.078 1.00 0.00 O ATOM 434 OE2 GLU A 31 -3.208 16.829 0.024 1.00 0.00 O ATOM 0 H GLU A 31 -1.405 13.608 2.096 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.748 14.655 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.331 13.102 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.668 13.389 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.051 15.523 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.918 15.098 -1.396 1.00 0.00 H new ATOM 441 N LEU A 32 -3.606 11.405 1.334 1.00 0.00 N ATOM 442 CA LEU A 32 -4.449 10.216 1.357 1.00 0.00 C ATOM 443 C LEU A 32 -5.725 10.483 2.134 1.00 0.00 C ATOM 444 O LEU A 32 -6.811 10.194 1.663 1.00 0.00 O ATOM 445 CB LEU A 32 -3.718 9.015 1.964 1.00 0.00 C ATOM 446 CG LEU A 32 -2.642 8.384 1.083 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.073 7.155 1.764 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.206 8.025 -0.285 1.00 0.00 C ATOM 0 H LEU A 32 -2.673 11.275 1.725 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.698 9.976 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.258 9.328 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.455 8.251 2.211 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.841 9.109 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.306 6.710 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.633 7.439 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.870 6.431 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.422 7.577 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.024 7.314 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.576 8.926 -0.774 1.00 0.00 H new ATOM 460 N LYS A 33 -5.587 11.071 3.310 1.00 0.00 N ATOM 461 CA LYS A 33 -6.729 11.353 4.170 1.00 0.00 C ATOM 462 C LYS A 33 -7.601 12.467 3.580 1.00 0.00 C ATOM 463 O LYS A 33 -8.791 12.570 3.881 1.00 0.00 O ATOM 464 CB LYS A 33 -6.220 11.742 5.557 1.00 0.00 C ATOM 465 CG LYS A 33 -7.305 11.959 6.598 1.00 0.00 C ATOM 466 CD LYS A 33 -6.695 12.230 7.964 1.00 0.00 C ATOM 467 CE LYS A 33 -5.810 13.464 7.938 1.00 0.00 C ATOM 468 NZ LYS A 33 -4.924 13.534 9.127 1.00 0.00 N ATOM 0 H LYS A 33 -4.690 11.365 3.695 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.350 10.460 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.546 10.963 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.633 12.656 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.936 12.798 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.947 11.080 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.489 12.364 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.110 11.367 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.203 13.457 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.433 14.357 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.336 14.390 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.503 13.567 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.311 12.694 9.153 1.00 0.00 H new ATOM 482 N ARG A 34 -7.002 13.285 2.727 1.00 0.00 N ATOM 483 CA ARG A 34 -7.697 14.411 2.112 1.00 0.00 C ATOM 484 C ARG A 34 -8.336 14.033 0.776 1.00 0.00 C ATOM 485 O ARG A 34 -9.042 14.837 0.170 1.00 0.00 O ATOM 486 CB ARG A 34 -6.723 15.576 1.921 1.00 0.00 C ATOM 487 CG ARG A 34 -6.622 16.484 3.135 1.00 0.00 C ATOM 488 CD ARG A 34 -5.319 17.272 3.158 1.00 0.00 C ATOM 489 NE ARG A 34 -4.908 17.730 1.833 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.152 18.943 1.344 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.873 19.816 2.035 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.669 19.271 0.158 1.00 0.00 N ATOM 0 H ARG A 34 -6.027 13.190 2.442 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.503 14.710 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.734 15.179 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.038 16.166 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.464 17.177 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.698 15.885 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.433 18.134 3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.531 16.649 3.582 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.398 17.074 1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.245 19.560 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.055 20.744 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.116 18.597 -0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.849 20.198 -0.228 1.00 0.00 H new ATOM 506 N HIS A 35 -8.081 12.816 0.311 1.00 0.00 N ATOM 507 CA HIS A 35 -8.650 12.357 -0.956 1.00 0.00 C ATOM 508 C HIS A 35 -9.302 10.985 -0.788 1.00 0.00 C ATOM 509 O HIS A 35 -10.491 10.808 -1.057 1.00 0.00 O ATOM 510 CB HIS A 35 -7.579 12.293 -2.054 1.00 0.00 C ATOM 511 CG HIS A 35 -6.890 13.600 -2.333 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.563 14.758 -2.657 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.578 13.926 -2.323 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.692 15.737 -2.834 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.479 15.256 -2.636 1.00 0.00 N ATOM 0 H HIS A 35 -7.490 12.133 0.785 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.410 13.078 -1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.829 11.555 -1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.042 11.938 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.757 13.259 -2.107 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.932 16.757 -3.096 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.611 15.787 -2.705 1.00 0.00 H new ATOM 524 N ASN A 36 -8.517 10.022 -0.333 1.00 0.00 N ATOM 525 CA ASN A 36 -9.001 8.666 -0.106 1.00 0.00 C ATOM 526 C ASN A 36 -9.599 8.558 1.292 1.00 0.00 C ATOM 527 O ASN A 36 -8.903 8.268 2.262 1.00 0.00 O ATOM 528 CB ASN A 36 -7.861 7.653 -0.268 1.00 0.00 C ATOM 529 CG ASN A 36 -8.295 6.232 0.045 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.440 5.850 -0.187 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.380 5.443 0.591 1.00 0.00 N ATOM 0 H ASN A 36 -7.530 10.155 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.771 8.442 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.483 7.697 -1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.037 7.931 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.616 4.481 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.440 5.798 0.768 1.00 0.00 H new ATOM 538 N VAL A 37 -10.889 8.820 1.387 1.00 0.00 N ATOM 539 CA VAL A 37 -11.579 8.800 2.668 1.00 0.00 C ATOM 540 C VAL A 37 -12.081 7.390 2.993 1.00 0.00 C ATOM 541 O VAL A 37 -12.552 7.119 4.099 1.00 0.00 O ATOM 542 CB VAL A 37 -12.758 9.799 2.666 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.334 9.980 4.065 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.314 11.139 2.100 1.00 0.00 C ATOM 0 H VAL A 37 -11.484 9.050 0.591 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.869 9.100 3.439 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.543 9.389 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.161 10.689 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.694 9.021 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.559 10.360 4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.155 11.833 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.507 11.543 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.961 11.003 1.078 1.00 0.00 H new ATOM 554 N SER A 38 -11.965 6.485 2.034 1.00 0.00 N ATOM 555 CA SER A 38 -12.424 5.127 2.235 1.00 0.00 C ATOM 556 C SER A 38 -11.242 4.161 2.313 1.00 0.00 C ATOM 557 O SER A 38 -10.731 3.878 3.401 1.00 0.00 O ATOM 558 CB SER A 38 -13.390 4.719 1.117 1.00 0.00 C ATOM 559 OG SER A 38 -13.961 3.446 1.372 1.00 0.00 O ATOM 0 H SER A 38 -11.559 6.668 1.116 1.00 0.00 H new ATOM 0 HA SER A 38 -12.958 5.081 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.181 5.464 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.860 4.699 0.165 1.00 0.00 H new ATOM 0 HG SER A 38 -13.524 2.773 0.810 1.00 0.00 H new ATOM 565 N HIS A 39 -10.784 3.691 1.155 1.00 0.00 N ATOM 566 CA HIS A 39 -9.721 2.695 1.087 1.00 0.00 C ATOM 567 C HIS A 39 -9.305 2.478 -0.363 1.00 0.00 C ATOM 568 O HIS A 39 -10.118 2.641 -1.275 1.00 0.00 O ATOM 569 CB HIS A 39 -10.180 1.365 1.707 1.00 0.00 C ATOM 570 CG HIS A 39 -11.259 0.655 0.936 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.546 1.138 0.805 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.227 -0.509 0.250 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.256 0.297 0.075 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.479 -0.709 -0.275 1.00 0.00 N ATOM 0 H HIS A 39 -11.137 3.988 0.245 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.866 3.062 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.318 0.703 1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.539 1.555 2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.374 -1.161 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.296 0.414 -0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.763 -1.507 -0.844 1.00 0.00 H new ATOM 583 N TYR A 40 -8.050 2.110 -0.576 1.00 0.00 N ATOM 584 CA TYR A 40 -7.576 1.803 -1.915 1.00 0.00 C ATOM 585 C TYR A 40 -6.935 0.423 -1.940 1.00 0.00 C ATOM 586 O TYR A 40 -6.314 0.001 -0.960 1.00 0.00 O ATOM 587 CB TYR A 40 -6.587 2.870 -2.419 1.00 0.00 C ATOM 588 CG TYR A 40 -5.236 2.870 -1.735 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.188 2.101 -2.227 1.00 0.00 C ATOM 590 CD2 TYR A 40 -5.002 3.647 -0.608 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.951 2.101 -1.615 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.766 3.652 0.010 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.747 2.877 -0.497 1.00 0.00 C ATOM 594 OH TYR A 40 -1.517 2.874 0.118 1.00 0.00 O ATOM 0 H TYR A 40 -7.347 2.017 0.157 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.434 1.806 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.435 2.725 -3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.041 3.853 -2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.345 1.492 -3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.799 4.257 -0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.149 1.496 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.600 4.261 0.886 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.537 3.474 0.892 1.00 0.00 H new ATOM 604 N ILE A 41 -7.111 -0.280 -3.046 1.00 0.00 N ATOM 605 CA ILE A 41 -6.536 -1.604 -3.214 1.00 0.00 C ATOM 606 C ILE A 41 -5.370 -1.540 -4.193 1.00 0.00 C ATOM 607 O ILE A 41 -5.553 -1.269 -5.382 1.00 0.00 O ATOM 608 CB ILE A 41 -7.569 -2.648 -3.722 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.797 -2.730 -2.798 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.916 -4.021 -3.842 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.828 -1.642 -3.037 1.00 0.00 C ATOM 0 H ILE A 41 -7.652 0.047 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.196 -1.928 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.910 -2.322 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.273 -3.702 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.463 -2.677 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.650 -4.743 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.086 -3.969 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.544 -4.334 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.661 -1.772 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.371 -0.666 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.194 -1.706 -4.062 1.00 0.00 H new ATOM 623 N TYR A 42 -4.177 -1.758 -3.676 1.00 0.00 N ATOM 624 CA TYR A 42 -2.979 -1.770 -4.489 1.00 0.00 C ATOM 625 C TYR A 42 -2.632 -3.211 -4.852 1.00 0.00 C ATOM 626 O TYR A 42 -2.372 -4.035 -3.974 1.00 0.00 O ATOM 627 CB TYR A 42 -1.820 -1.118 -3.722 1.00 0.00 C ATOM 628 CG TYR A 42 -0.632 -0.734 -4.583 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.080 -1.690 -5.298 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.224 0.590 -4.679 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.161 -1.338 -6.082 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.856 0.949 -5.462 1.00 0.00 C ATOM 633 CZ TYR A 42 1.544 -0.017 -6.161 1.00 0.00 C ATOM 634 OH TYR A 42 2.617 0.339 -6.946 1.00 0.00 O ATOM 0 H TYR A 42 -4.012 -1.931 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.151 -1.202 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.191 -0.225 -3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.483 -1.805 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.217 -2.727 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.760 1.352 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.703 -2.094 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.159 1.984 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 42 2.754 1.308 -6.892 1.00 0.00 H new ATOM 644 N TYR A 43 -2.659 -3.517 -6.137 1.00 0.00 N ATOM 645 CA TYR A 43 -2.286 -4.840 -6.609 1.00 0.00 C ATOM 646 C TYR A 43 -0.798 -4.880 -6.916 1.00 0.00 C ATOM 647 O TYR A 43 -0.325 -4.167 -7.797 1.00 0.00 O ATOM 648 CB TYR A 43 -3.082 -5.219 -7.859 1.00 0.00 C ATOM 649 CG TYR A 43 -4.577 -5.268 -7.635 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.159 -6.320 -6.942 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.407 -4.263 -8.117 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.523 -6.369 -6.735 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.771 -4.306 -7.916 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.324 -5.362 -7.222 1.00 0.00 C ATOM 655 OH TYR A 43 -8.681 -5.410 -7.019 1.00 0.00 O ATOM 0 H TYR A 43 -2.935 -2.867 -6.873 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.515 -5.560 -5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.865 -4.500 -8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.744 -6.193 -8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.535 -7.113 -6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.976 -3.434 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.960 -7.195 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.402 -3.518 -8.300 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.101 -4.623 -7.425 1.00 0.00 H new ATOM 665 N LEU A 44 -0.060 -5.697 -6.183 1.00 0.00 N ATOM 666 CA LEU A 44 1.377 -5.807 -6.390 1.00 0.00 C ATOM 667 C LEU A 44 1.679 -6.549 -7.689 1.00 0.00 C ATOM 668 O LEU A 44 0.772 -7.091 -8.323 1.00 0.00 O ATOM 669 CB LEU A 44 2.059 -6.500 -5.205 1.00 0.00 C ATOM 670 CG LEU A 44 2.151 -5.669 -3.915 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.793 -5.549 -3.237 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.166 -6.273 -2.961 1.00 0.00 C ATOM 0 H LEU A 44 -0.429 -6.292 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 44 1.780 -4.797 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.519 -7.421 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.067 -6.786 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 44 2.481 -4.667 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.891 -4.956 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.090 -5.062 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.424 -6.543 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.216 -5.670 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.865 -7.289 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.146 -6.294 -3.438 1.00 0.00 H new ATOM 684 N ALA A 45 2.958 -6.544 -8.083 1.00 0.00 N ATOM 685 CA ALA A 45 3.424 -7.170 -9.328 1.00 0.00 C ATOM 686 C ALA A 45 2.986 -6.377 -10.561 1.00 0.00 C ATOM 687 O ALA A 45 3.807 -6.055 -11.422 1.00 0.00 O ATOM 688 CB ALA A 45 2.972 -8.624 -9.426 1.00 0.00 C ATOM 0 H ALA A 45 3.704 -6.103 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 45 4.514 -7.160 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.334 -9.056 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.375 -9.188 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.883 -8.669 -9.404 1.00 0.00 H new ATOM 694 N THR A 46 1.699 -6.070 -10.640 1.00 0.00 N ATOM 695 CA THR A 46 1.157 -5.288 -11.742 1.00 0.00 C ATOM 696 C THR A 46 1.159 -3.800 -11.404 1.00 0.00 C ATOM 697 O THR A 46 1.187 -2.951 -12.299 1.00 0.00 O ATOM 698 CB THR A 46 -0.281 -5.733 -12.076 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.068 -5.778 -10.877 1.00 0.00 O ATOM 700 CG2 THR A 46 -0.285 -7.100 -12.743 1.00 0.00 C ATOM 0 H THR A 46 1.006 -6.353 -9.948 1.00 0.00 H new ATOM 0 HA THR A 46 1.794 -5.458 -12.610 1.00 0.00 H new ATOM 0 HB THR A 46 -0.711 -5.009 -12.768 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.981 -6.060 -11.095 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.311 -7.392 -12.969 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.291 -7.056 -13.667 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.162 -7.834 -12.072 1.00 0.00 H new ATOM 708 N GLU A 47 1.117 -3.508 -10.100 1.00 0.00 N ATOM 709 CA GLU A 47 1.160 -2.140 -9.582 1.00 0.00 C ATOM 710 C GLU A 47 -0.085 -1.350 -9.973 1.00 0.00 C ATOM 711 O GLU A 47 -0.047 -0.125 -10.088 1.00 0.00 O ATOM 712 CB GLU A 47 2.438 -1.422 -10.031 1.00 0.00 C ATOM 713 CG GLU A 47 3.687 -1.973 -9.368 1.00 0.00 C ATOM 714 CD GLU A 47 4.962 -1.335 -9.870 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.394 -0.309 -9.293 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.551 -1.869 -10.822 1.00 0.00 O ATOM 0 H GLU A 47 1.052 -4.219 -9.372 1.00 0.00 H new ATOM 0 HA GLU A 47 1.174 -2.202 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.538 -1.510 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.351 -0.359 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.614 -1.824 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.736 -3.049 -9.538 1.00 0.00 H new ATOM 723 N ASN A 48 -1.195 -2.059 -10.136 1.00 0.00 N ATOM 724 CA ASN A 48 -2.480 -1.429 -10.427 1.00 0.00 C ATOM 725 C ASN A 48 -3.148 -1.005 -9.126 1.00 0.00 C ATOM 726 O ASN A 48 -3.219 -1.786 -8.180 1.00 0.00 O ATOM 727 CB ASN A 48 -3.398 -2.391 -11.187 1.00 0.00 C ATOM 728 CG ASN A 48 -2.839 -2.808 -12.534 1.00 0.00 C ATOM 729 OD1 ASN A 48 -2.101 -2.061 -13.176 1.00 0.00 O ATOM 730 ND2 ASN A 48 -3.185 -4.007 -12.976 1.00 0.00 N ATOM 0 H ASN A 48 -1.232 -3.076 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.303 -0.554 -11.052 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.566 -3.280 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.369 -1.917 -11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.838 -4.339 -13.876 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.799 -4.599 -12.417 1.00 0.00 H new ATOM 737 N VAL A 49 -3.628 0.229 -9.068 1.00 0.00 N ATOM 738 CA VAL A 49 -4.216 0.747 -7.837 1.00 0.00 C ATOM 739 C VAL A 49 -5.681 1.134 -8.038 1.00 0.00 C ATOM 740 O VAL A 49 -6.020 1.824 -8.997 1.00 0.00 O ATOM 741 CB VAL A 49 -3.446 1.981 -7.320 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.797 2.261 -5.868 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.945 1.799 -7.485 1.00 0.00 C ATOM 0 H VAL A 49 -3.623 0.885 -9.849 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.151 -0.055 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.747 2.841 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.244 3.134 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.867 2.451 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.532 1.398 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.428 2.683 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.620 0.925 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.709 1.658 -8.540 1.00 0.00 H new ATOM 753 N HIS A 50 -6.540 0.677 -7.138 1.00 0.00 N ATOM 754 CA HIS A 50 -7.961 1.024 -7.169 1.00 0.00 C ATOM 755 C HIS A 50 -8.340 1.849 -5.940 1.00 0.00 C ATOM 756 O HIS A 50 -8.442 1.311 -4.839 1.00 0.00 O ATOM 757 CB HIS A 50 -8.832 -0.239 -7.226 1.00 0.00 C ATOM 758 CG HIS A 50 -8.921 -0.875 -8.581 1.00 0.00 C ATOM 759 ND1 HIS A 50 -10.117 -1.265 -9.139 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.963 -1.212 -9.479 1.00 0.00 C ATOM 761 CE1 HIS A 50 -9.897 -1.812 -10.318 1.00 0.00 C ATOM 762 NE2 HIS A 50 -8.598 -1.794 -10.549 1.00 0.00 N ATOM 0 H HIS A 50 -6.278 0.060 -6.370 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.139 1.616 -8.067 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.436 -0.970 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.838 0.014 -6.891 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.900 -1.053 -9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.651 -2.208 -10.982 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.140 -2.154 -11.386 1.00 0.00 H new ATOM 771 N ILE A 51 -8.538 3.147 -6.126 1.00 0.00 N ATOM 772 CA ILE A 51 -8.884 4.034 -5.022 1.00 0.00 C ATOM 773 C ILE A 51 -10.371 4.354 -5.042 1.00 0.00 C ATOM 774 O ILE A 51 -10.852 5.032 -5.950 1.00 0.00 O ATOM 775 CB ILE A 51 -8.105 5.374 -5.067 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.590 5.148 -5.132 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.458 6.230 -3.856 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.066 4.895 -6.531 1.00 0.00 C ATOM 0 H ILE A 51 -8.465 3.610 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.613 3.502 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.401 5.898 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.084 6.020 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.332 4.299 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.904 7.168 -3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.528 6.440 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.195 5.695 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.987 4.745 -6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.542 4.005 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.291 5.753 -7.165 1.00 0.00 H new ATOM 790 N VAL A 52 -11.102 3.866 -4.054 1.00 0.00 N ATOM 791 CA VAL A 52 -12.519 4.173 -3.957 1.00 0.00 C ATOM 792 C VAL A 52 -12.719 5.401 -3.078 1.00 0.00 C ATOM 793 O VAL A 52 -12.324 5.414 -1.909 1.00 0.00 O ATOM 794 CB VAL A 52 -13.339 2.996 -3.392 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.830 3.278 -3.519 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.973 1.696 -4.094 1.00 0.00 C ATOM 0 H VAL A 52 -10.743 3.262 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.879 4.367 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.099 2.886 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.395 2.438 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.078 4.182 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.086 3.416 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.564 0.880 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.179 1.788 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.913 1.488 -3.946 1.00 0.00 H new ATOM 806 N LEU A 53 -13.319 6.432 -3.651 1.00 0.00 N ATOM 807 CA LEU A 53 -13.487 7.702 -2.964 1.00 0.00 C ATOM 808 C LEU A 53 -14.620 7.663 -1.945 1.00 0.00 C ATOM 809 O LEU A 53 -15.236 6.624 -1.704 1.00 0.00 O ATOM 810 CB LEU A 53 -13.761 8.818 -3.973 1.00 0.00 C ATOM 811 CG LEU A 53 -12.598 9.162 -4.908 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.913 10.419 -5.707 1.00 0.00 C ATOM 813 CD2 LEU A 53 -11.304 9.333 -4.125 1.00 0.00 C ATOM 0 H LEU A 53 -13.700 6.413 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.557 7.897 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.620 8.532 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.043 9.718 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.463 8.334 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.077 10.650 -6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.811 10.256 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.077 11.253 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.493 9.577 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.421 10.139 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.070 8.406 -3.602 1.00 0.00 H new ATOM 825 N LYS A 54 -14.895 8.827 -1.369 1.00 0.00 N ATOM 826 CA LYS A 54 -15.929 8.977 -0.357 1.00 0.00 C ATOM 827 C LYS A 54 -17.312 8.769 -0.966 1.00 0.00 C ATOM 828 O LYS A 54 -18.241 8.327 -0.290 1.00 0.00 O ATOM 829 CB LYS A 54 -15.844 10.376 0.266 1.00 0.00 C ATOM 830 CG LYS A 54 -16.817 10.604 1.415 1.00 0.00 C ATOM 831 CD LYS A 54 -16.848 12.063 1.854 1.00 0.00 C ATOM 832 CE LYS A 54 -15.484 12.555 2.318 1.00 0.00 C ATOM 833 NZ LYS A 54 -15.541 13.954 2.817 1.00 0.00 N ATOM 0 H LYS A 54 -14.406 9.694 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.772 8.223 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.828 10.541 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.032 11.119 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.817 10.296 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.534 9.977 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.193 12.682 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.569 12.182 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.112 11.902 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.775 12.492 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.593 14.252 3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.872 14.581 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.198 14.009 3.621 1.00 0.00 H new ATOM 847 N ASN A 55 -17.440 9.063 -2.253 1.00 0.00 N ATOM 848 CA ASN A 55 -18.731 9.021 -2.913 1.00 0.00 C ATOM 849 C ASN A 55 -18.634 8.275 -4.236 1.00 0.00 C ATOM 850 O ASN A 55 -18.670 8.876 -5.312 1.00 0.00 O ATOM 851 CB ASN A 55 -19.276 10.438 -3.123 1.00 0.00 C ATOM 852 CG ASN A 55 -20.700 10.467 -3.662 1.00 0.00 C ATOM 853 OD1 ASN A 55 -21.513 9.488 -3.290 1.00 0.00 O flip ATOM 854 ND2 ASN A 55 -21.072 11.382 -4.396 1.00 0.00 N flip ATOM 0 H ASN A 55 -16.664 9.333 -2.858 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.427 8.482 -2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.244 10.975 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.623 10.971 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -20.420 12.119 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.033 11.403 -4.738 1.00 0.00 H new ATOM 861 N ASP A 56 -18.407 6.970 -4.123 1.00 0.00 N ATOM 862 CA ASP A 56 -18.558 6.020 -5.234 1.00 0.00 C ATOM 863 C ASP A 56 -17.377 6.025 -6.207 1.00 0.00 C ATOM 864 O ASP A 56 -16.823 4.968 -6.513 1.00 0.00 O ATOM 865 CB ASP A 56 -19.869 6.275 -5.994 1.00 0.00 C ATOM 866 CG ASP A 56 -20.017 5.409 -7.234 1.00 0.00 C ATOM 867 OD1 ASP A 56 -20.501 4.267 -7.113 1.00 0.00 O ATOM 868 OD2 ASP A 56 -19.669 5.882 -8.339 1.00 0.00 O ATOM 0 H ASP A 56 -18.110 6.532 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.584 5.030 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -20.711 6.090 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.916 7.325 -6.283 1.00 0.00 H new ATOM 873 N ASN A 57 -17.002 7.204 -6.688 1.00 0.00 N ATOM 874 CA ASN A 57 -15.999 7.323 -7.746 1.00 0.00 C ATOM 875 C ASN A 57 -14.713 6.580 -7.402 1.00 0.00 C ATOM 876 O ASN A 57 -14.164 6.729 -6.312 1.00 0.00 O ATOM 877 CB ASN A 57 -15.699 8.795 -8.032 1.00 0.00 C ATOM 878 CG ASN A 57 -14.698 8.979 -9.159 1.00 0.00 C ATOM 879 OD1 ASN A 57 -15.067 9.003 -10.332 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.427 9.126 -8.815 1.00 0.00 N ATOM 0 H ASN A 57 -17.377 8.095 -6.363 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.415 6.860 -8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.626 9.308 -8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -15.313 9.266 -7.128 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.717 9.265 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.159 9.100 -7.831 1.00 0.00 H new ATOM 887 N THR A 58 -14.248 5.772 -8.342 1.00 0.00 N ATOM 888 CA THR A 58 -13.052 4.976 -8.148 1.00 0.00 C ATOM 889 C THR A 58 -11.943 5.427 -9.099 1.00 0.00 C ATOM 890 O THR A 58 -12.148 5.516 -10.310 1.00 0.00 O ATOM 891 CB THR A 58 -13.359 3.480 -8.368 1.00 0.00 C ATOM 892 OG1 THR A 58 -14.516 3.109 -7.605 1.00 0.00 O ATOM 893 CG2 THR A 58 -12.181 2.611 -7.950 1.00 0.00 C ATOM 0 H THR A 58 -14.688 5.652 -9.254 1.00 0.00 H new ATOM 0 HA THR A 58 -12.711 5.119 -7.123 1.00 0.00 H new ATOM 0 HB THR A 58 -13.545 3.323 -9.430 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.711 2.159 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.426 1.562 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.305 2.877 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.968 2.771 -6.893 1.00 0.00 H new ATOM 901 N VAL A 59 -10.783 5.728 -8.537 1.00 0.00 N ATOM 902 CA VAL A 59 -9.629 6.158 -9.316 1.00 0.00 C ATOM 903 C VAL A 59 -8.689 4.979 -9.545 1.00 0.00 C ATOM 904 O VAL A 59 -8.493 4.157 -8.651 1.00 0.00 O ATOM 905 CB VAL A 59 -8.861 7.293 -8.601 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.783 7.876 -9.504 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.819 8.380 -8.136 1.00 0.00 C ATOM 0 H VAL A 59 -10.614 5.682 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.992 6.535 -10.272 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.372 6.869 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.258 8.672 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.075 7.094 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.243 8.280 -10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.258 9.169 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.342 8.797 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.544 7.954 -7.442 1.00 0.00 H new ATOM 917 N LEU A 60 -8.129 4.881 -10.743 1.00 0.00 N ATOM 918 CA LEU A 60 -7.214 3.794 -11.069 1.00 0.00 C ATOM 919 C LEU A 60 -5.831 4.328 -11.418 1.00 0.00 C ATOM 920 O LEU A 60 -5.662 5.042 -12.405 1.00 0.00 O ATOM 921 CB LEU A 60 -7.748 2.945 -12.234 1.00 0.00 C ATOM 922 CG LEU A 60 -8.876 1.962 -11.885 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.190 2.686 -11.634 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.042 0.931 -12.992 1.00 0.00 C ATOM 0 H LEU A 60 -8.291 5.540 -11.505 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.136 3.163 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.106 3.617 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.918 2.380 -12.657 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.597 1.451 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.965 1.959 -11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.070 3.381 -10.803 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.478 3.237 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.845 0.242 -12.730 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.288 1.436 -13.926 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.112 0.375 -13.114 1.00 0.00 H new ATOM 936 N LEU A 61 -4.850 3.990 -10.593 1.00 0.00 N ATOM 937 CA LEU A 61 -3.461 4.334 -10.880 1.00 0.00 C ATOM 938 C LEU A 61 -2.744 3.095 -11.378 1.00 0.00 C ATOM 939 O LEU A 61 -3.257 1.982 -11.242 1.00 0.00 O ATOM 940 CB LEU A 61 -2.733 4.850 -9.637 1.00 0.00 C ATOM 941 CG LEU A 61 -3.485 5.870 -8.788 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.693 6.184 -7.532 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.754 7.141 -9.578 1.00 0.00 C ATOM 0 H LEU A 61 -4.988 3.479 -9.721 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.458 5.124 -11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.485 3.996 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.790 5.297 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.446 5.441 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.237 6.913 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.551 5.271 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.721 6.594 -7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.291 7.852 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.808 7.579 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.356 6.904 -10.455 1.00 0.00 H new ATOM 955 N LYS A 62 -1.559 3.273 -11.933 1.00 0.00 N ATOM 956 CA LYS A 62 -0.772 2.137 -12.369 1.00 0.00 C ATOM 957 C LYS A 62 0.717 2.440 -12.329 1.00 0.00 C ATOM 958 O LYS A 62 1.182 3.422 -12.913 1.00 0.00 O ATOM 959 CB LYS A 62 -1.172 1.701 -13.779 1.00 0.00 C ATOM 960 CG LYS A 62 -0.385 0.498 -14.264 1.00 0.00 C ATOM 961 CD LYS A 62 -0.917 -0.048 -15.574 1.00 0.00 C ATOM 962 CE LYS A 62 -0.106 -1.251 -16.023 1.00 0.00 C ATOM 963 NZ LYS A 62 -0.007 -2.284 -14.955 1.00 0.00 N ATOM 0 H LYS A 62 -1.125 4.183 -12.091 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.976 1.322 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.236 1.464 -13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.021 2.531 -14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.661 0.777 -14.388 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.419 -0.285 -13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.963 -0.331 -15.458 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.880 0.728 -16.339 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.566 -1.688 -16.909 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.895 -0.928 -16.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.175 -3.213 -15.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.772 -2.043 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.899 -2.319 -14.422 1.00 0.00 H new ATOM 1039 N ILE A 67 7.281 -6.046 -10.309 1.00 0.00 N ATOM 1040 CA ILE A 67 7.936 -6.899 -9.337 1.00 0.00 C ATOM 1041 C ILE A 67 7.168 -8.205 -9.192 1.00 0.00 C ATOM 1042 O ILE A 67 6.270 -8.325 -8.357 1.00 0.00 O ATOM 1043 CB ILE A 67 8.070 -6.209 -7.961 1.00 0.00 C ATOM 1044 CG1 ILE A 67 8.821 -4.880 -8.111 1.00 0.00 C ATOM 1045 CG2 ILE A 67 8.787 -7.119 -6.970 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.966 -4.112 -6.816 1.00 0.00 C ATOM 0 HA ILE A 67 8.943 -7.104 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 67 7.071 -6.007 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.812 -5.078 -8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.297 -4.257 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.871 -6.614 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.220 -8.042 -6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.783 -7.352 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.507 -3.184 -7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.978 -3.882 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.517 -4.715 -6.095 1.00 0.00 H new ATOM 1058 N VAL A 68 7.492 -9.172 -10.040 1.00 0.00 N ATOM 1059 CA VAL A 68 6.847 -10.471 -9.979 1.00 0.00 C ATOM 1060 C VAL A 68 7.678 -11.415 -9.122 1.00 0.00 C ATOM 1061 O VAL A 68 8.370 -12.301 -9.619 1.00 0.00 O ATOM 1062 CB VAL A 68 6.622 -11.088 -11.379 1.00 0.00 C ATOM 1063 CG1 VAL A 68 5.838 -12.391 -11.281 1.00 0.00 C ATOM 1064 CG2 VAL A 68 5.901 -10.102 -12.286 1.00 0.00 C ATOM 0 H VAL A 68 8.194 -9.080 -10.774 1.00 0.00 H new ATOM 0 HA VAL A 68 5.864 -10.326 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 68 7.598 -11.310 -11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.693 -12.804 -12.279 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.392 -13.104 -10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.867 -12.198 -10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.751 -10.553 -13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.934 -9.848 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.501 -9.198 -12.390 1.00 0.00 H new ATOM 1074 N SER A 69 7.650 -11.159 -7.829 1.00 0.00 N ATOM 1075 CA SER A 69 8.335 -11.998 -6.862 1.00 0.00 C ATOM 1076 C SER A 69 7.345 -12.427 -5.789 1.00 0.00 C ATOM 1077 O SER A 69 7.726 -12.863 -4.700 1.00 0.00 O ATOM 1078 CB SER A 69 9.511 -11.229 -6.256 1.00 0.00 C ATOM 1079 OG SER A 69 10.348 -10.714 -7.282 1.00 0.00 O ATOM 0 H SER A 69 7.154 -10.367 -7.419 1.00 0.00 H new ATOM 0 HA SER A 69 8.730 -12.890 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.139 -10.412 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.086 -11.886 -5.604 1.00 0.00 H new ATOM 0 HG SER A 69 11.095 -10.223 -6.879 1.00 0.00 H new ATOM 1085 N VAL A 70 6.068 -12.314 -6.134 1.00 0.00 N ATOM 1086 CA VAL A 70 4.983 -12.627 -5.220 1.00 0.00 C ATOM 1087 C VAL A 70 4.826 -14.134 -5.069 1.00 0.00 C ATOM 1088 O VAL A 70 4.505 -14.835 -6.030 1.00 0.00 O ATOM 1089 CB VAL A 70 3.642 -12.036 -5.712 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.539 -12.263 -4.684 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.787 -10.554 -6.034 1.00 0.00 C ATOM 0 H VAL A 70 5.759 -12.003 -7.055 1.00 0.00 H new ATOM 0 HA VAL A 70 5.237 -12.182 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 70 3.361 -12.554 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.605 -11.838 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.411 -13.333 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.811 -11.780 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.830 -10.161 -6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.099 -10.016 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.535 -10.423 -6.816 1.00 0.00 H new ATOM 1101 N LYS A 71 5.072 -14.626 -3.869 1.00 0.00 N ATOM 1102 CA LYS A 71 4.839 -16.026 -3.561 1.00 0.00 C ATOM 1103 C LYS A 71 3.348 -16.242 -3.357 1.00 0.00 C ATOM 1104 O LYS A 71 2.702 -15.462 -2.664 1.00 0.00 O ATOM 1105 CB LYS A 71 5.606 -16.433 -2.297 1.00 0.00 C ATOM 1106 CG LYS A 71 7.114 -16.248 -2.399 1.00 0.00 C ATOM 1107 CD LYS A 71 7.749 -17.250 -3.352 1.00 0.00 C ATOM 1108 CE LYS A 71 7.595 -18.677 -2.846 1.00 0.00 C ATOM 1109 NZ LYS A 71 8.307 -19.657 -3.710 1.00 0.00 N ATOM 0 H LYS A 71 5.434 -14.076 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 71 5.193 -16.642 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.235 -15.848 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.393 -17.479 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.333 -15.236 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.560 -16.355 -1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.288 -17.160 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.807 -17.018 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.981 -18.744 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.537 -18.934 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.176 -20.616 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.922 -19.613 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.321 -19.429 -3.731 1.00 0.00 H new ATOM 1123 N PHE A 72 2.793 -17.292 -3.950 1.00 0.00 N ATOM 1124 CA PHE A 72 1.360 -17.549 -3.831 1.00 0.00 C ATOM 1125 C PHE A 72 1.038 -18.222 -2.492 1.00 0.00 C ATOM 1126 O PHE A 72 0.110 -19.024 -2.380 1.00 0.00 O ATOM 1127 CB PHE A 72 0.843 -18.378 -5.023 1.00 0.00 C ATOM 1128 CG PHE A 72 1.400 -19.774 -5.137 1.00 0.00 C ATOM 1129 CD1 PHE A 72 2.727 -19.989 -5.467 1.00 0.00 C ATOM 1130 CD2 PHE A 72 0.578 -20.872 -4.940 1.00 0.00 C ATOM 1131 CE1 PHE A 72 3.225 -21.272 -5.595 1.00 0.00 C ATOM 1132 CE2 PHE A 72 1.072 -22.157 -5.064 1.00 0.00 C ATOM 1133 CZ PHE A 72 2.396 -22.356 -5.391 1.00 0.00 C ATOM 0 H PHE A 72 3.304 -17.973 -4.512 1.00 0.00 H new ATOM 0 HA PHE A 72 0.839 -16.592 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.243 -18.444 -4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.071 -17.839 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.381 -19.144 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.461 -20.722 -4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.262 -21.426 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.421 -23.004 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.784 -23.359 -5.487 1.00 0.00 H new ATOM 1143 N SER A 73 1.793 -17.850 -1.471 1.00 0.00 N ATOM 1144 CA SER A 73 1.595 -18.352 -0.125 1.00 0.00 C ATOM 1145 C SER A 73 0.821 -17.330 0.709 1.00 0.00 C ATOM 1146 O SER A 73 0.204 -16.410 0.162 1.00 0.00 O ATOM 1147 CB SER A 73 2.952 -18.642 0.516 1.00 0.00 C ATOM 1148 OG SER A 73 3.666 -19.616 -0.229 1.00 0.00 O ATOM 0 H SER A 73 2.564 -17.188 -1.555 1.00 0.00 H new ATOM 0 HA SER A 73 1.015 -19.274 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.535 -17.723 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.808 -18.993 1.538 1.00 0.00 H new ATOM 0 HG SER A 73 4.532 -19.785 0.198 1.00 0.00 H new ATOM 1154 N LYS A 74 0.839 -17.496 2.027 1.00 0.00 N ATOM 1155 CA LYS A 74 0.151 -16.577 2.920 1.00 0.00 C ATOM 1156 C LYS A 74 0.733 -16.639 4.334 1.00 0.00 C ATOM 1157 O LYS A 74 0.463 -17.574 5.090 1.00 0.00 O ATOM 1158 CB LYS A 74 -1.359 -16.873 2.935 1.00 0.00 C ATOM 1159 CG LYS A 74 -1.713 -18.337 3.157 1.00 0.00 C ATOM 1160 CD LYS A 74 -3.218 -18.557 3.123 1.00 0.00 C ATOM 1161 CE LYS A 74 -3.576 -20.028 3.284 1.00 0.00 C ATOM 1162 NZ LYS A 74 -3.017 -20.865 2.189 1.00 0.00 N ATOM 0 H LYS A 74 1.323 -18.260 2.499 1.00 0.00 H new ATOM 0 HA LYS A 74 0.301 -15.564 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.826 -16.277 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.790 -16.548 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.237 -18.948 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.317 -18.667 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.688 -17.979 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.619 -18.186 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.202 -20.389 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.660 -20.136 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.483 -21.795 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.181 -20.396 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.995 -20.990 2.335 1.00 0.00 H new ATOM 1176 N ASP A 75 1.556 -15.653 4.676 1.00 0.00 N ATOM 1177 CA ASP A 75 2.134 -15.560 6.012 1.00 0.00 C ATOM 1178 C ASP A 75 2.095 -14.124 6.522 1.00 0.00 C ATOM 1179 O ASP A 75 2.184 -13.176 5.743 1.00 0.00 O ATOM 1180 CB ASP A 75 3.578 -16.073 6.024 1.00 0.00 C ATOM 1181 CG ASP A 75 4.259 -15.821 7.359 1.00 0.00 C ATOM 1182 OD1 ASP A 75 3.775 -16.340 8.390 1.00 0.00 O ATOM 1183 OD2 ASP A 75 5.260 -15.083 7.389 1.00 0.00 O ATOM 0 H ASP A 75 1.839 -14.904 4.044 1.00 0.00 H new ATOM 0 HA ASP A 75 1.534 -16.186 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.585 -17.142 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.143 -15.584 5.230 1.00 0.00 H new ATOM 1188 N ARG A 76 1.955 -13.972 7.833 1.00 0.00 N ATOM 1189 CA ARG A 76 1.932 -12.657 8.458 1.00 0.00 C ATOM 1190 C ARG A 76 3.282 -12.316 9.077 1.00 0.00 C ATOM 1191 O ARG A 76 3.601 -11.145 9.265 1.00 0.00 O ATOM 1192 CB ARG A 76 0.848 -12.581 9.537 1.00 0.00 C ATOM 1193 CG ARG A 76 0.904 -13.719 10.543 1.00 0.00 C ATOM 1194 CD ARG A 76 0.026 -13.445 11.751 1.00 0.00 C ATOM 1195 NE ARG A 76 0.617 -12.440 12.634 1.00 0.00 N ATOM 1196 CZ ARG A 76 -0.084 -11.680 13.477 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.404 -11.797 13.549 1.00 0.00 N ATOM 1198 NH2 ARG A 76 0.541 -10.804 14.256 1.00 0.00 N ATOM 0 H ARG A 76 1.855 -14.749 8.487 1.00 0.00 H new ATOM 0 HA ARG A 76 1.709 -11.933 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.943 -11.634 10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.130 -12.581 9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.585 -14.644 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.934 -13.867 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.955 -13.105 11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.129 -14.371 12.306 1.00 0.00 H new ATOM 0 HE ARG A 76 1.628 -12.312 12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.889 -12.471 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.933 -11.212 14.196 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.556 -10.713 14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.006 -10.222 14.901 1.00 0.00 H new ATOM 1212 N HIS A 77 4.078 -13.339 9.373 1.00 0.00 N ATOM 1213 CA HIS A 77 5.327 -13.152 10.111 1.00 0.00 C ATOM 1214 C HIS A 77 6.342 -12.386 9.282 1.00 0.00 C ATOM 1215 O HIS A 77 7.040 -11.510 9.795 1.00 0.00 O ATOM 1216 CB HIS A 77 5.920 -14.496 10.538 1.00 0.00 C ATOM 1217 CG HIS A 77 5.021 -15.286 11.429 1.00 0.00 C ATOM 1218 ND1 HIS A 77 4.224 -16.309 10.968 1.00 0.00 N ATOM 1219 CD2 HIS A 77 4.796 -15.205 12.759 1.00 0.00 C ATOM 1220 CE1 HIS A 77 3.547 -16.824 11.977 1.00 0.00 C ATOM 1221 NE2 HIS A 77 3.875 -16.173 13.076 1.00 0.00 N ATOM 0 H HIS A 77 3.882 -14.306 9.114 1.00 0.00 H new ATOM 0 HA HIS A 77 5.093 -12.572 11.003 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.145 -15.084 9.648 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.865 -14.321 11.052 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.166 -16.620 9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.255 -14.509 13.445 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.843 -17.641 11.913 1.00 0.00 H new ATOM 1230 N LEU A 78 6.427 -12.713 7.999 1.00 0.00 N ATOM 1231 CA LEU A 78 7.324 -12.004 7.097 1.00 0.00 C ATOM 1232 C LEU A 78 6.889 -10.547 6.968 1.00 0.00 C ATOM 1233 O LEU A 78 7.705 -9.662 6.727 1.00 0.00 O ATOM 1234 CB LEU A 78 7.362 -12.683 5.727 1.00 0.00 C ATOM 1235 CG LEU A 78 8.406 -12.126 4.752 1.00 0.00 C ATOM 1236 CD1 LEU A 78 9.795 -12.159 5.374 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.394 -12.911 3.450 1.00 0.00 C ATOM 0 H LEU A 78 5.889 -13.461 7.562 1.00 0.00 H new ATOM 0 HA LEU A 78 8.332 -12.032 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.554 -13.746 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.377 -12.596 5.269 1.00 0.00 H new ATOM 0 HG LEU A 78 8.149 -11.089 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.521 -11.759 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.802 -11.554 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.058 -13.187 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.142 -12.501 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.624 -13.957 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.408 -12.839 2.991 1.00 0.00 H new ATOM 1249 N ILE A 79 5.600 -10.301 7.154 1.00 0.00 N ATOM 1250 CA ILE A 79 5.082 -8.941 7.164 1.00 0.00 C ATOM 1251 C ILE A 79 5.511 -8.237 8.447 1.00 0.00 C ATOM 1252 O ILE A 79 6.061 -7.140 8.412 1.00 0.00 O ATOM 1253 CB ILE A 79 3.542 -8.914 7.071 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.060 -9.751 5.882 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.045 -7.477 6.948 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.556 -9.894 5.816 1.00 0.00 C ATOM 0 H ILE A 79 4.895 -11.024 7.300 1.00 0.00 H new ATOM 0 HA ILE A 79 5.488 -8.428 6.292 1.00 0.00 H new ATOM 0 HB ILE A 79 3.132 -9.347 7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.415 -9.294 4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.509 -10.742 5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.957 -7.473 6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.359 -6.907 7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.464 -7.023 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.286 -10.498 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.196 -10.379 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.100 -8.908 5.727 1.00 0.00 H new ATOM 1268 N GLU A 80 5.276 -8.903 9.575 1.00 0.00 N ATOM 1269 CA GLU A 80 5.612 -8.365 10.888 1.00 0.00 C ATOM 1270 C GLU A 80 7.098 -8.046 10.993 1.00 0.00 C ATOM 1271 O GLU A 80 7.485 -7.002 11.523 1.00 0.00 O ATOM 1272 CB GLU A 80 5.229 -9.373 11.971 1.00 0.00 C ATOM 1273 CG GLU A 80 3.760 -9.747 11.960 1.00 0.00 C ATOM 1274 CD GLU A 80 3.418 -10.806 12.983 1.00 0.00 C ATOM 1275 OE1 GLU A 80 3.256 -10.460 14.172 1.00 0.00 O ATOM 1276 OE2 GLU A 80 3.284 -11.986 12.603 1.00 0.00 O ATOM 0 H GLU A 80 4.848 -9.829 9.603 1.00 0.00 H new ATOM 0 HA GLU A 80 5.053 -7.439 11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.826 -10.276 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.483 -8.959 12.947 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.162 -8.856 12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.488 -10.106 10.967 1.00 0.00 H new ATOM 1283 N THR A 81 7.924 -8.948 10.487 1.00 0.00 N ATOM 1284 CA THR A 81 9.365 -8.767 10.525 1.00 0.00 C ATOM 1285 C THR A 81 9.797 -7.614 9.622 1.00 0.00 C ATOM 1286 O THR A 81 10.693 -6.851 9.971 1.00 0.00 O ATOM 1287 CB THR A 81 10.105 -10.058 10.123 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.507 -10.620 8.950 1.00 0.00 O ATOM 1289 CG2 THR A 81 10.070 -11.078 11.251 1.00 0.00 C ATOM 0 H THR A 81 7.619 -9.815 10.044 1.00 0.00 H new ATOM 0 HA THR A 81 9.633 -8.525 11.553 1.00 0.00 H new ATOM 0 HB THR A 81 11.145 -9.803 9.916 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.683 -11.090 9.196 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.599 -11.980 10.943 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.551 -10.660 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.035 -11.326 11.485 1.00 0.00 H new ATOM 1297 N THR A 82 9.138 -7.476 8.476 1.00 0.00 N ATOM 1298 CA THR A 82 9.437 -6.389 7.553 1.00 0.00 C ATOM 1299 C THR A 82 8.916 -5.056 8.095 1.00 0.00 C ATOM 1300 O THR A 82 9.532 -4.010 7.895 1.00 0.00 O ATOM 1301 CB THR A 82 8.841 -6.660 6.159 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.334 -7.912 5.666 1.00 0.00 O ATOM 1303 CG2 THR A 82 9.207 -5.555 5.179 1.00 0.00 C ATOM 0 H THR A 82 8.395 -8.102 8.165 1.00 0.00 H new ATOM 0 HA THR A 82 10.521 -6.330 7.457 1.00 0.00 H new ATOM 0 HB THR A 82 7.755 -6.692 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.888 -8.647 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.772 -5.775 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.820 -4.603 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.291 -5.495 5.087 1.00 0.00 H new ATOM 1311 N SER A 83 7.789 -5.102 8.791 1.00 0.00 N ATOM 1312 CA SER A 83 7.256 -3.926 9.463 1.00 0.00 C ATOM 1313 C SER A 83 8.251 -3.448 10.520 1.00 0.00 C ATOM 1314 O SER A 83 8.602 -2.267 10.583 1.00 0.00 O ATOM 1315 CB SER A 83 5.901 -4.259 10.098 1.00 0.00 C ATOM 1316 OG SER A 83 5.264 -3.103 10.606 1.00 0.00 O ATOM 0 H SER A 83 7.225 -5.944 8.905 1.00 0.00 H new ATOM 0 HA SER A 83 7.106 -3.125 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.258 -4.733 9.356 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.044 -4.980 10.903 1.00 0.00 H new ATOM 0 HG SER A 83 4.390 -2.995 10.176 1.00 0.00 H new ATOM 1322 N ASN A 84 8.742 -4.394 11.320 1.00 0.00 N ATOM 1323 CA ASN A 84 9.780 -4.113 12.308 1.00 0.00 C ATOM 1324 C ASN A 84 11.059 -3.652 11.611 1.00 0.00 C ATOM 1325 O ASN A 84 11.783 -2.791 12.108 1.00 0.00 O ATOM 1326 CB ASN A 84 10.050 -5.365 13.154 1.00 0.00 C ATOM 1327 CG ASN A 84 11.243 -5.219 14.085 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.123 -4.695 15.192 1.00 0.00 O ATOM 1329 ND2 ASN A 84 12.394 -5.716 13.655 1.00 0.00 N ATOM 0 H ASN A 84 8.435 -5.366 11.302 1.00 0.00 H new ATOM 0 HA ASN A 84 9.438 -3.314 12.966 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.163 -5.593 13.745 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.218 -6.213 12.491 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.222 -5.672 14.249 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.452 -6.142 12.730 1.00 0.00 H new ATOM 1336 N LYS A 85 11.311 -4.221 10.442 1.00 0.00 N ATOM 1337 CA LYS A 85 12.480 -3.881 9.645 1.00 0.00 C ATOM 1338 C LYS A 85 12.375 -2.450 9.117 1.00 0.00 C ATOM 1339 O LYS A 85 13.382 -1.769 8.934 1.00 0.00 O ATOM 1340 CB LYS A 85 12.610 -4.874 8.487 1.00 0.00 C ATOM 1341 CG LYS A 85 13.952 -4.850 7.777 1.00 0.00 C ATOM 1342 CD LYS A 85 14.046 -5.992 6.781 1.00 0.00 C ATOM 1343 CE LYS A 85 15.455 -6.160 6.249 1.00 0.00 C ATOM 1344 NZ LYS A 85 15.591 -7.386 5.421 1.00 0.00 N ATOM 0 H LYS A 85 10.712 -4.930 10.020 1.00 0.00 H new ATOM 0 HA LYS A 85 13.370 -3.942 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.434 -5.880 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.826 -4.667 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.081 -3.898 7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.758 -4.929 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.725 -6.918 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.364 -5.808 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.725 -5.288 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.155 -6.206 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.569 -7.465 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.358 -8.221 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.941 -7.332 4.611 1.00 0.00 H new ATOM 1358 N LEU A 86 11.152 -1.993 8.889 1.00 0.00 N ATOM 1359 CA LEU A 86 10.914 -0.627 8.443 1.00 0.00 C ATOM 1360 C LEU A 86 11.122 0.351 9.599 1.00 0.00 C ATOM 1361 O LEU A 86 11.525 1.493 9.399 1.00 0.00 O ATOM 1362 CB LEU A 86 9.497 -0.497 7.872 1.00 0.00 C ATOM 1363 CG LEU A 86 9.124 0.895 7.347 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.012 1.285 6.175 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.658 0.932 6.943 1.00 0.00 C ATOM 0 H LEU A 86 10.306 -2.550 9.006 1.00 0.00 H new ATOM 0 HA LEU A 86 11.627 -0.384 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.384 -1.215 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.784 -0.777 8.647 1.00 0.00 H new ATOM 0 HG LEU A 86 9.282 1.618 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.730 2.276 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.054 1.298 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.890 0.561 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.408 1.926 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.478 0.196 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.036 0.700 7.808 1.00 0.00 H new ATOM 1377 N LYS A 87 10.854 -0.111 10.811 1.00 0.00 N ATOM 1378 CA LYS A 87 11.083 0.695 12.003 1.00 0.00 C ATOM 1379 C LYS A 87 12.575 0.731 12.342 1.00 0.00 C ATOM 1380 O LYS A 87 13.132 1.783 12.659 1.00 0.00 O ATOM 1381 CB LYS A 87 10.285 0.127 13.183 1.00 0.00 C ATOM 1382 CG LYS A 87 10.480 0.883 14.488 1.00 0.00 C ATOM 1383 CD LYS A 87 10.031 2.328 14.370 1.00 0.00 C ATOM 1384 CE LYS A 87 10.226 3.078 15.677 1.00 0.00 C ATOM 1385 NZ LYS A 87 9.819 4.502 15.569 1.00 0.00 N ATOM 0 H LYS A 87 10.477 -1.041 10.996 1.00 0.00 H new ATOM 0 HA LYS A 87 10.747 1.713 11.807 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.225 0.133 12.927 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.571 -0.914 13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.918 0.391 15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.531 0.850 14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.594 2.822 13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.980 2.362 14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.646 2.594 16.462 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.273 3.022 15.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.968 4.976 16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.390 4.972 14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.813 4.557 15.311 1.00 0.00 H new ATOM 1399 N SER A 88 13.210 -0.431 12.267 1.00 0.00 N ATOM 1400 CA SER A 88 14.622 -0.566 12.594 1.00 0.00 C ATOM 1401 C SER A 88 15.514 -0.027 11.475 1.00 0.00 C ATOM 1402 O SER A 88 16.248 0.943 11.662 1.00 0.00 O ATOM 1403 CB SER A 88 14.944 -2.040 12.860 1.00 0.00 C ATOM 1404 OG SER A 88 16.333 -2.246 13.046 1.00 0.00 O ATOM 0 H SER A 88 12.763 -1.302 11.979 1.00 0.00 H new ATOM 0 HA SER A 88 14.824 0.024 13.488 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.404 -2.377 13.745 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.595 -2.646 12.024 1.00 0.00 H new ATOM 0 HG SER A 88 16.503 -3.196 13.215 1.00 0.00 H new ATOM 1410 N ARG A 89 15.439 -0.652 10.310 1.00 0.00 N ATOM 1411 CA ARG A 89 16.339 -0.336 9.206 1.00 0.00 C ATOM 1412 C ARG A 89 15.828 0.851 8.402 1.00 0.00 C ATOM 1413 O ARG A 89 16.613 1.612 7.835 1.00 0.00 O ATOM 1414 CB ARG A 89 16.481 -1.548 8.285 1.00 0.00 C ATOM 1415 CG ARG A 89 16.953 -2.817 8.983 1.00 0.00 C ATOM 1416 CD ARG A 89 18.345 -2.652 9.570 1.00 0.00 C ATOM 1417 NE ARG A 89 18.325 -2.183 10.959 1.00 0.00 N ATOM 1418 CZ ARG A 89 19.363 -1.604 11.565 1.00 0.00 C ATOM 1419 NH1 ARG A 89 20.465 -1.325 10.880 1.00 0.00 N ATOM 1420 NH2 ARG A 89 19.290 -1.286 12.852 1.00 0.00 N ATOM 0 H ARG A 89 14.761 -1.385 10.102 1.00 0.00 H new ATOM 0 HA ARG A 89 17.310 -0.077 9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.519 -1.744 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 89 17.184 -1.303 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.252 -3.078 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.953 -3.644 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.870 -3.606 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 89 18.910 -1.946 8.961 1.00 0.00 H new ATOM 0 HE ARG A 89 17.466 -2.307 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.520 -1.553 9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.257 -0.882 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.439 -1.484 13.379 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.084 -0.843 13.314 1.00 0.00 H new ATOM 1434 N GLU A 90 14.509 0.993 8.367 1.00 0.00 N ATOM 1435 CA GLU A 90 13.848 2.036 7.592 1.00 0.00 C ATOM 1436 C GLU A 90 14.221 1.927 6.116 1.00 0.00 C ATOM 1437 O GLU A 90 14.859 2.812 5.542 1.00 0.00 O ATOM 1438 CB GLU A 90 14.177 3.427 8.144 1.00 0.00 C ATOM 1439 CG GLU A 90 13.299 4.531 7.576 1.00 0.00 C ATOM 1440 CD GLU A 90 13.646 5.892 8.130 1.00 0.00 C ATOM 1441 OE1 GLU A 90 14.622 6.502 7.641 1.00 0.00 O ATOM 1442 OE2 GLU A 90 12.945 6.361 9.050 1.00 0.00 O ATOM 0 H GLU A 90 13.866 0.387 8.876 1.00 0.00 H new ATOM 0 HA GLU A 90 12.771 1.893 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.072 3.412 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.220 3.657 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.400 4.548 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 90 12.255 4.309 7.796 1.00 0.00 H new ATOM 1449 N ILE A 91 13.855 0.797 5.529 1.00 0.00 N ATOM 1450 CA ILE A 91 14.057 0.554 4.107 1.00 0.00 C ATOM 1451 C ILE A 91 13.097 1.397 3.262 1.00 0.00 C ATOM 1452 O ILE A 91 12.165 2.004 3.788 1.00 0.00 O ATOM 1453 CB ILE A 91 13.857 -0.938 3.773 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.497 -1.422 4.301 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.995 -1.768 4.355 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.216 -2.886 4.030 1.00 0.00 C ATOM 0 H ILE A 91 13.410 0.024 6.023 1.00 0.00 H new ATOM 0 HA ILE A 91 15.081 0.841 3.869 1.00 0.00 H new ATOM 0 HB ILE A 91 13.867 -1.062 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.453 -1.247 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.708 -0.821 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.840 -2.819 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.942 -1.433 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.017 -1.646 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.238 -3.150 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.226 -3.065 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.982 -3.498 4.507 1.00 0.00 H new ATOM 1468 N THR A 92 13.329 1.422 1.956 1.00 0.00 N ATOM 1469 CA THR A 92 12.498 2.198 1.046 1.00 0.00 C ATOM 1470 C THR A 92 11.116 1.561 0.880 1.00 0.00 C ATOM 1471 O THR A 92 10.925 0.381 1.183 1.00 0.00 O ATOM 1472 CB THR A 92 13.171 2.315 -0.334 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.554 1.945 -0.233 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.060 3.735 -0.869 1.00 0.00 C ATOM 0 H THR A 92 14.088 0.913 1.503 1.00 0.00 H new ATOM 0 HA THR A 92 12.379 3.192 1.478 1.00 0.00 H new ATOM 0 HB THR A 92 12.662 1.642 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.681 1.048 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.542 3.795 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.009 4.006 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.550 4.423 -0.180 1.00 0.00 H new ATOM 1482 N PHE A 93 10.164 2.346 0.384 1.00 0.00 N ATOM 1483 CA PHE A 93 8.788 1.887 0.204 1.00 0.00 C ATOM 1484 C PHE A 93 8.728 0.654 -0.698 1.00 0.00 C ATOM 1485 O PHE A 93 7.996 -0.302 -0.423 1.00 0.00 O ATOM 1486 CB PHE A 93 7.939 3.017 -0.388 1.00 0.00 C ATOM 1487 CG PHE A 93 6.482 2.671 -0.539 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.636 2.691 0.558 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.959 2.332 -1.780 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.296 2.379 0.422 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.621 2.018 -1.919 1.00 0.00 C ATOM 1492 CZ PHE A 93 3.788 2.040 -0.819 1.00 0.00 C ATOM 0 H PHE A 93 10.322 3.312 0.097 1.00 0.00 H new ATOM 0 HA PHE A 93 8.390 1.607 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.029 3.897 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.341 3.287 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.027 2.953 1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.605 2.314 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.646 2.400 1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.226 1.755 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.742 1.793 -0.927 1.00 0.00 H new ATOM 1502 N GLN A 94 9.513 0.672 -1.767 1.00 0.00 N ATOM 1503 CA GLN A 94 9.534 -0.432 -2.719 1.00 0.00 C ATOM 1504 C GLN A 94 10.189 -1.675 -2.125 1.00 0.00 C ATOM 1505 O GLN A 94 9.902 -2.795 -2.549 1.00 0.00 O ATOM 1506 CB GLN A 94 10.242 -0.020 -4.011 1.00 0.00 C ATOM 1507 CG GLN A 94 11.474 0.842 -3.795 1.00 0.00 C ATOM 1508 CD GLN A 94 12.317 0.956 -5.045 1.00 0.00 C ATOM 1509 OE1 GLN A 94 12.087 1.820 -5.891 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.307 0.089 -5.162 1.00 0.00 N ATOM 0 H GLN A 94 10.144 1.439 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 94 8.499 -0.682 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.531 -0.918 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.538 0.523 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.167 1.837 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.075 0.418 -2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.461 -0.611 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.918 0.119 -5.979 1.00 0.00 H new ATOM 1519 N GLU A 95 11.056 -1.484 -1.140 1.00 0.00 N ATOM 1520 CA GLU A 95 11.700 -2.607 -0.471 1.00 0.00 C ATOM 1521 C GLU A 95 10.762 -3.209 0.570 1.00 0.00 C ATOM 1522 O GLU A 95 10.747 -4.425 0.781 1.00 0.00 O ATOM 1523 CB GLU A 95 13.019 -2.171 0.177 1.00 0.00 C ATOM 1524 CG GLU A 95 14.203 -2.143 -0.785 1.00 0.00 C ATOM 1525 CD GLU A 95 13.995 -1.226 -1.973 1.00 0.00 C ATOM 1526 OE1 GLU A 95 13.426 -1.683 -2.988 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.397 -0.047 -1.898 1.00 0.00 O ATOM 0 H GLU A 95 11.329 -0.567 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 95 11.927 -3.369 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.890 -1.178 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.249 -2.848 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.094 -1.826 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.392 -3.154 -1.145 1.00 0.00 H new ATOM 1534 N TYR A 96 9.973 -2.356 1.209 1.00 0.00 N ATOM 1535 CA TYR A 96 8.958 -2.818 2.144 1.00 0.00 C ATOM 1536 C TYR A 96 7.923 -3.673 1.412 1.00 0.00 C ATOM 1537 O TYR A 96 7.610 -4.784 1.838 1.00 0.00 O ATOM 1538 CB TYR A 96 8.288 -1.626 2.843 1.00 0.00 C ATOM 1539 CG TYR A 96 7.136 -2.005 3.752 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.359 -2.550 5.012 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.823 -1.813 3.345 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.301 -2.897 5.837 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.765 -2.154 4.161 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.004 -2.696 5.404 1.00 0.00 C ATOM 1545 OH TYR A 96 3.942 -3.049 6.205 1.00 0.00 O ATOM 0 H TYR A 96 10.016 -1.343 1.097 1.00 0.00 H new ATOM 0 HA TYR A 96 9.435 -3.431 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.038 -1.094 3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.925 -0.932 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.372 -2.705 5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.626 -1.389 2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.489 -3.322 6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.751 -1.996 3.826 1.00 0.00 H new ATOM 0 HH TYR A 96 4.236 -3.091 7.139 1.00 0.00 H new ATOM 1555 N ARG A 97 7.421 -3.165 0.286 1.00 0.00 N ATOM 1556 CA ARG A 97 6.434 -3.900 -0.501 1.00 0.00 C ATOM 1557 C ARG A 97 7.063 -5.138 -1.140 1.00 0.00 C ATOM 1558 O ARG A 97 6.373 -6.106 -1.446 1.00 0.00 O ATOM 1559 CB ARG A 97 5.809 -3.005 -1.583 1.00 0.00 C ATOM 1560 CG ARG A 97 6.726 -2.690 -2.754 1.00 0.00 C ATOM 1561 CD ARG A 97 6.009 -1.875 -3.820 1.00 0.00 C ATOM 1562 NE ARG A 97 6.786 -1.771 -5.060 1.00 0.00 N ATOM 1563 CZ ARG A 97 6.316 -1.223 -6.187 1.00 0.00 C ATOM 1564 NH1 ARG A 97 5.110 -0.675 -6.206 1.00 0.00 N ATOM 1565 NH2 ARG A 97 7.055 -1.205 -7.291 1.00 0.00 N ATOM 0 H ARG A 97 7.679 -2.256 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 97 5.643 -4.220 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.911 -3.491 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.494 -2.068 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.597 -2.139 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.093 -3.619 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.044 -2.333 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.808 -0.875 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 97 7.738 -2.137 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.539 -0.670 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.753 -0.258 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.990 -1.611 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.687 -0.785 -8.144 1.00 0.00 H new ATOM 1579 N ARG A 98 8.378 -5.093 -1.330 1.00 0.00 N ATOM 1580 CA ARG A 98 9.121 -6.218 -1.890 1.00 0.00 C ATOM 1581 C ARG A 98 8.956 -7.450 -1.003 1.00 0.00 C ATOM 1582 O ARG A 98 8.609 -8.534 -1.475 1.00 0.00 O ATOM 1583 CB ARG A 98 10.604 -5.858 -1.993 1.00 0.00 C ATOM 1584 CG ARG A 98 11.400 -6.758 -2.917 1.00 0.00 C ATOM 1585 CD ARG A 98 11.509 -6.153 -4.306 1.00 0.00 C ATOM 1586 NE ARG A 98 12.177 -4.850 -4.274 1.00 0.00 N ATOM 1587 CZ ARG A 98 12.910 -4.354 -5.271 1.00 0.00 C ATOM 1588 NH1 ARG A 98 13.070 -5.039 -6.396 1.00 0.00 N ATOM 1589 NH2 ARG A 98 13.492 -3.172 -5.136 1.00 0.00 N ATOM 0 H ARG A 98 8.955 -4.283 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 98 8.731 -6.439 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.693 -4.829 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.046 -5.897 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.397 -6.916 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.922 -7.736 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.062 -6.831 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.513 -6.042 -4.735 1.00 0.00 H new ATOM 0 HE ARG A 98 12.074 -4.284 -3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.630 -5.953 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.633 -4.651 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.379 -2.644 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.053 -2.790 -5.897 1.00 0.00 H new ATOM 1603 N ASN A 99 9.187 -7.258 0.289 1.00 0.00 N ATOM 1604 CA ASN A 99 9.123 -8.352 1.253 1.00 0.00 C ATOM 1605 C ASN A 99 7.687 -8.802 1.489 1.00 0.00 C ATOM 1606 O ASN A 99 7.437 -9.975 1.754 1.00 0.00 O ATOM 1607 CB ASN A 99 9.769 -7.942 2.576 1.00 0.00 C ATOM 1608 CG ASN A 99 11.279 -7.817 2.480 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.010 -8.785 2.692 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.764 -6.627 2.157 1.00 0.00 N ATOM 0 H ASN A 99 9.421 -6.353 0.696 1.00 0.00 H new ATOM 0 HA ASN A 99 9.677 -9.192 0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.350 -6.989 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.518 -8.677 3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.772 -6.492 2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.130 -5.846 1.988 1.00 0.00 H new ATOM 1617 N LEU A 100 6.746 -7.872 1.392 1.00 0.00 N ATOM 1618 CA LEU A 100 5.334 -8.208 1.541 1.00 0.00 C ATOM 1619 C LEU A 100 4.869 -9.099 0.395 1.00 0.00 C ATOM 1620 O LEU A 100 4.100 -10.038 0.600 1.00 0.00 O ATOM 1621 CB LEU A 100 4.476 -6.944 1.619 1.00 0.00 C ATOM 1622 CG LEU A 100 4.200 -6.427 3.034 1.00 0.00 C ATOM 1623 CD1 LEU A 100 5.493 -6.130 3.779 1.00 0.00 C ATOM 1624 CD2 LEU A 100 3.332 -5.186 2.978 1.00 0.00 C ATOM 0 H LEU A 100 6.932 -6.885 1.212 1.00 0.00 H new ATOM 0 HA LEU A 100 5.216 -8.757 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.969 -6.155 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.522 -7.141 1.129 1.00 0.00 H new ATOM 0 HG LEU A 100 3.671 -7.209 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.261 -5.765 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.087 -7.041 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.058 -5.371 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.143 -4.828 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.843 -4.410 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.385 -5.426 2.495 1.00 0.00 H new ATOM 1636 N ALA A 101 5.353 -8.811 -0.806 1.00 0.00 N ATOM 1637 CA ALA A 101 5.067 -9.646 -1.965 1.00 0.00 C ATOM 1638 C ALA A 101 5.610 -11.051 -1.744 1.00 0.00 C ATOM 1639 O ALA A 101 5.002 -12.044 -2.144 1.00 0.00 O ATOM 1640 CB ALA A 101 5.674 -9.033 -3.216 1.00 0.00 C ATOM 0 H ALA A 101 5.946 -8.005 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 101 3.987 -9.707 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.453 -9.666 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.251 -8.042 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.754 -8.951 -3.094 1.00 0.00 H new ATOM 1646 N LYS A 102 6.754 -11.119 -1.079 1.00 0.00 N ATOM 1647 CA LYS A 102 7.404 -12.383 -0.766 1.00 0.00 C ATOM 1648 C LYS A 102 6.592 -13.169 0.273 1.00 0.00 C ATOM 1649 O LYS A 102 6.719 -14.388 0.381 1.00 0.00 O ATOM 1650 CB LYS A 102 8.817 -12.107 -0.243 1.00 0.00 C ATOM 1651 CG LYS A 102 9.736 -13.316 -0.227 1.00 0.00 C ATOM 1652 CD LYS A 102 11.102 -12.947 0.334 1.00 0.00 C ATOM 1653 CE LYS A 102 12.134 -14.030 0.066 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.369 -14.216 -1.390 1.00 0.00 N ATOM 0 H LYS A 102 7.258 -10.299 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 102 7.464 -12.988 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.272 -11.330 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.744 -11.710 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.292 -14.108 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.847 -13.708 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.436 -12.009 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.021 -12.780 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.072 -13.768 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.797 -14.970 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.298 -14.659 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.627 -14.827 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.347 -13.292 -1.866 1.00 0.00 H new ATOM 1668 N ALA A 103 5.756 -12.460 1.029 1.00 0.00 N ATOM 1669 CA ALA A 103 4.927 -13.083 2.059 1.00 0.00 C ATOM 1670 C ALA A 103 3.582 -13.523 1.489 1.00 0.00 C ATOM 1671 O ALA A 103 2.800 -14.202 2.159 1.00 0.00 O ATOM 1672 CB ALA A 103 4.718 -12.121 3.220 1.00 0.00 C ATOM 0 H ALA A 103 5.635 -11.451 0.947 1.00 0.00 H new ATOM 0 HA ALA A 103 5.447 -13.969 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.099 -12.597 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.683 -11.856 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.222 -11.219 2.861 1.00 0.00 H new ATOM 1678 N GLY A 104 3.314 -13.129 0.253 1.00 0.00 N ATOM 1679 CA GLY A 104 2.076 -13.511 -0.391 1.00 0.00 C ATOM 1680 C GLY A 104 1.045 -12.401 -0.389 1.00 0.00 C ATOM 1681 O GLY A 104 -0.112 -12.620 -0.753 1.00 0.00 O ATOM 0 H GLY A 104 3.933 -12.551 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.283 -13.806 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.664 -14.384 0.114 1.00 0.00 H new ATOM 1685 N VAL A 105 1.459 -11.210 0.021 1.00 0.00 N ATOM 1686 CA VAL A 105 0.560 -10.065 0.057 1.00 0.00 C ATOM 1687 C VAL A 105 0.376 -9.492 -1.341 1.00 0.00 C ATOM 1688 O VAL A 105 1.252 -8.808 -1.868 1.00 0.00 O ATOM 1689 CB VAL A 105 1.075 -8.955 0.998 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.102 -7.784 1.036 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.304 -9.505 2.395 1.00 0.00 C ATOM 0 H VAL A 105 2.410 -11.012 0.333 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.396 -10.421 0.441 1.00 0.00 H new ATOM 0 HB VAL A 105 2.027 -8.593 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.485 -7.014 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.009 -7.371 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.867 -8.128 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.667 -8.709 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.367 -9.897 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.043 -10.305 2.354 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.760 -9.801 -1.944 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.070 -9.308 -3.275 1.00 0.00 C ATOM 1703 C PHE A 106 -2.115 -8.203 -3.190 1.00 0.00 C ATOM 1704 O PHE A 106 -2.179 -7.324 -4.048 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.576 -10.450 -4.162 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.670 -10.092 -5.620 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.570 -10.230 -6.450 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -2.858 -9.624 -6.164 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -0.649 -9.906 -7.790 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -2.943 -9.300 -7.504 1.00 0.00 C ATOM 1711 CZ PHE A 106 -1.838 -9.441 -8.319 1.00 0.00 C ATOM 0 H PHE A 106 -1.483 -10.391 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.162 -8.901 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.911 -11.306 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.559 -10.762 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.362 -10.596 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.726 -9.512 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.218 -10.016 -8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.874 -8.936 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.902 -9.189 -9.367 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.928 -8.252 -2.144 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.978 -7.269 -1.947 1.00 0.00 C ATOM 1723 C ARG A 107 -3.559 -6.263 -0.885 1.00 0.00 C ATOM 1724 O ARG A 107 -3.742 -6.493 0.313 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.282 -7.952 -1.523 1.00 0.00 C ATOM 1726 CG ARG A 107 -5.776 -9.021 -2.487 1.00 0.00 C ATOM 1727 CD ARG A 107 -6.385 -8.420 -3.743 1.00 0.00 C ATOM 1728 NE ARG A 107 -6.938 -9.448 -4.627 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.069 -9.312 -5.332 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -8.776 -8.193 -5.254 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -8.494 -10.307 -6.103 1.00 0.00 N ATOM 0 H ARG A 107 -2.878 -8.966 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.144 -6.749 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.138 -8.404 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.056 -7.193 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.946 -9.672 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.518 -9.644 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.172 -7.718 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.625 -7.851 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.428 -10.327 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.459 -7.430 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.636 -8.095 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.959 -11.174 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.355 -10.204 -6.640 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.963 -5.172 -1.327 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.552 -4.102 -0.432 1.00 0.00 C ATOM 1747 C TRP A 108 -3.710 -3.128 -0.246 1.00 0.00 C ATOM 1748 O TRP A 108 -3.927 -2.243 -1.071 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.327 -3.386 -1.019 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.704 -2.345 -0.128 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.324 -1.293 0.482 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.683 -2.243 0.211 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.412 -0.555 1.194 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.827 -1.114 1.040 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.816 -2.997 -0.104 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 2.058 -0.725 1.559 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 3.037 -2.609 0.411 1.00 0.00 C ATOM 1758 CH2 TRP A 108 3.151 -1.482 1.231 1.00 0.00 C ATOM 0 H TRP A 108 -2.750 -5.001 -2.310 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.281 -4.512 0.541 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.571 -4.133 -1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.618 -2.912 -1.956 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.379 -1.073 0.414 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -0.624 0.275 1.748 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.738 -3.867 -0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 2.148 0.142 2.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.919 -3.186 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.122 -1.203 1.614 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.470 -3.307 0.819 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.643 -2.480 1.047 1.00 0.00 C ATOM 1771 C VAL A 109 -5.423 -1.551 2.232 1.00 0.00 C ATOM 1772 O VAL A 109 -5.460 -1.976 3.382 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.903 -3.337 1.299 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.152 -2.469 1.303 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.025 -4.444 0.263 1.00 0.00 C ATOM 0 H VAL A 109 -4.299 -4.012 1.536 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.799 -1.890 0.144 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.803 -3.801 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.028 -3.093 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.072 -1.720 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.252 -1.971 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.920 -5.033 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.094 -4.005 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.148 -5.089 0.315 1.00 0.00 H new ATOM 1785 N THR A 110 -5.164 -0.289 1.948 1.00 0.00 N ATOM 1786 CA THR A 110 -4.989 0.692 3.002 1.00 0.00 C ATOM 1787 C THR A 110 -6.289 1.444 3.244 1.00 0.00 C ATOM 1788 O THR A 110 -6.757 2.197 2.381 1.00 0.00 O ATOM 1789 CB THR A 110 -3.871 1.692 2.661 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.676 0.985 2.309 1.00 0.00 O ATOM 1791 CG2 THR A 110 -3.585 2.612 3.840 1.00 0.00 C ATOM 0 H THR A 110 -5.070 0.080 1.002 1.00 0.00 H new ATOM 0 HA THR A 110 -4.704 0.155 3.907 1.00 0.00 H new ATOM 0 HB THR A 110 -4.203 2.298 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.240 1.434 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.791 3.309 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.487 3.169 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.272 2.017 4.698 1.00 0.00 H new ATOM 1799 N ASN A 111 -6.875 1.228 4.410 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.120 1.881 4.768 1.00 0.00 C ATOM 1801 C ASN A 111 -7.841 3.095 5.631 1.00 0.00 C ATOM 1802 O ASN A 111 -7.447 2.965 6.790 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.052 0.929 5.522 1.00 0.00 C ATOM 1804 CG ASN A 111 -9.589 -0.200 4.665 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -8.914 -0.704 3.770 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -10.827 -0.587 4.920 1.00 0.00 N ATOM 0 H ASN A 111 -6.506 0.603 5.126 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.611 2.188 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.516 0.506 6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.890 1.498 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.254 -1.329 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.355 -0.144 5.672 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.028 4.273 5.060 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.858 5.510 5.804 1.00 0.00 C ATOM 1815 C ILE A 112 -9.032 5.687 6.758 1.00 0.00 C ATOM 1816 O ILE A 112 -8.889 6.237 7.849 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.750 6.730 4.862 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.560 6.560 3.909 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.615 8.023 5.657 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.220 6.434 4.610 1.00 0.00 C ATOM 0 H ILE A 112 -8.297 4.399 4.084 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.927 5.448 6.368 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.666 6.790 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.722 5.673 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.525 7.414 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.541 8.866 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.489 8.151 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.718 7.978 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.431 6.317 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.033 7.331 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.233 5.564 5.266 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.187 5.178 6.347 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.386 5.237 7.171 1.00 0.00 C ATOM 1834 C HIS A 113 -11.198 4.414 8.445 1.00 0.00 C ATOM 1835 O HIS A 113 -11.610 4.826 9.528 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.594 4.723 6.383 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.896 4.867 7.105 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.512 3.825 7.756 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.703 5.939 7.268 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.642 4.244 8.286 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.785 5.524 8.005 1.00 0.00 N ATOM 0 H HIS A 113 -10.318 4.719 5.446 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.565 6.275 7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.653 5.261 5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.438 3.671 6.143 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.150 2.874 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.529 6.935 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.335 3.641 8.855 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.570 3.253 8.301 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.301 2.369 9.432 1.00 0.00 C ATOM 1852 C GLU A 114 -8.988 2.736 10.118 1.00 0.00 C ATOM 1853 O GLU A 114 -8.684 2.234 11.206 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.244 0.908 8.973 1.00 0.00 C ATOM 1855 CG GLU A 114 -11.605 0.270 8.724 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.452 1.028 7.719 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -12.026 1.161 6.555 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.537 1.509 8.100 1.00 0.00 O ATOM 0 H GLU A 114 -10.235 2.899 7.405 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.116 2.492 10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.657 0.851 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.716 0.324 9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.460 -0.750 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.146 0.205 9.668 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.213 3.611 9.471 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.908 4.041 9.979 1.00 0.00 C ATOM 1867 C GLN A 115 -5.939 2.857 10.063 1.00 0.00 C ATOM 1868 O GLN A 115 -5.067 2.824 10.935 1.00 0.00 O ATOM 1869 CB GLN A 115 -7.051 4.685 11.367 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.936 5.926 11.404 1.00 0.00 C ATOM 1871 CD GLN A 115 -7.333 7.118 10.681 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -6.010 7.189 10.636 1.00 0.00 O flip ATOM 1873 NE2 GLN A 115 -8.051 7.978 10.175 1.00 0.00 N flip ATOM 0 H GLN A 115 -8.472 4.040 8.583 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.508 4.778 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.457 3.945 12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.059 4.951 11.733 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.901 5.689 10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.125 6.198 12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.066 7.891 10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -7.632 8.778 9.702 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.071 1.897 9.151 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.286 0.665 9.227 1.00 0.00 C ATOM 1884 C LYS A 116 -4.869 0.163 7.845 1.00 0.00 C ATOM 1885 O LYS A 116 -5.554 0.396 6.849 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.089 -0.427 9.948 1.00 0.00 C ATOM 1887 CG LYS A 116 -6.452 -0.066 11.381 1.00 0.00 C ATOM 1888 CD LYS A 116 -7.343 -1.114 12.025 1.00 0.00 C ATOM 1889 CE LYS A 116 -7.744 -0.700 13.433 1.00 0.00 C ATOM 1890 NZ LYS A 116 -8.565 0.544 13.440 1.00 0.00 N ATOM 0 H LYS A 116 -6.708 1.946 8.356 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.379 0.893 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.003 -0.624 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -5.511 -1.351 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.541 0.045 11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -6.959 0.899 11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.236 -1.260 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.820 -2.070 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.307 -1.508 13.901 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.848 -0.546 14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.087 1.272 14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.683 0.888 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.499 0.341 13.851 1.00 0.00 H new ATOM 1904 N ARG A 117 -3.727 -0.513 7.804 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.250 -1.179 6.599 1.00 0.00 C ATOM 1906 C ARG A 117 -3.654 -2.650 6.630 1.00 0.00 C ATOM 1907 O ARG A 117 -3.189 -3.410 7.485 1.00 0.00 O ATOM 1908 CB ARG A 117 -1.724 -1.089 6.499 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.173 0.307 6.252 1.00 0.00 C ATOM 1910 CD ARG A 117 0.344 0.295 6.344 1.00 0.00 C ATOM 1911 NE ARG A 117 0.968 1.498 5.789 1.00 0.00 N ATOM 1912 CZ ARG A 117 2.291 1.649 5.667 1.00 0.00 C ATOM 1913 NH1 ARG A 117 3.116 0.742 6.180 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.790 2.727 5.068 1.00 0.00 N ATOM 0 H ARG A 117 -3.105 -0.615 8.606 1.00 0.00 H new ATOM 0 HA ARG A 117 -3.696 -0.684 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.292 -1.475 7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.389 -1.742 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.482 0.659 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.584 1.003 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.637 0.191 7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.726 -0.580 5.818 1.00 0.00 H new ATOM 0 HE ARG A 117 0.363 2.259 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.740 -0.071 6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.125 0.859 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.163 3.442 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.800 2.838 4.977 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.520 -3.048 5.713 1.00 0.00 N ATOM 1929 CA TYR A 118 -4.975 -4.427 5.637 1.00 0.00 C ATOM 1930 C TYR A 118 -4.231 -5.173 4.538 1.00 0.00 C ATOM 1931 O TYR A 118 -4.284 -4.795 3.367 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.482 -4.484 5.377 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.320 -3.927 6.503 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.753 -4.744 7.538 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.678 -2.585 6.532 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.518 -4.241 8.573 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.444 -2.075 7.564 1.00 0.00 C ATOM 1938 CZ TYR A 118 -8.861 -2.906 8.581 1.00 0.00 C ATOM 1939 OH TYR A 118 -9.623 -2.399 9.609 1.00 0.00 O ATOM 0 H TYR A 118 -4.924 -2.432 5.007 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.766 -4.907 6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.704 -3.931 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.771 -5.520 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.487 -5.791 7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.353 -1.930 5.737 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.845 -4.890 9.371 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.714 -1.029 7.573 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.446 -2.906 10.429 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.527 -6.225 4.917 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.770 -7.009 3.959 1.00 0.00 C ATOM 1951 C TYR A 119 -3.442 -8.349 3.712 1.00 0.00 C ATOM 1952 O TYR A 119 -3.472 -9.217 4.592 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.338 -7.211 4.448 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.592 -5.913 4.642 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.418 -5.030 3.582 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.060 -5.571 5.875 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.265 -3.842 3.748 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.624 -4.385 6.051 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.784 -3.524 4.984 1.00 0.00 C ATOM 1960 OH TYR A 119 1.467 -2.343 5.152 1.00 0.00 O ATOM 0 H TYR A 119 -3.464 -6.555 5.880 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.740 -6.463 3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.356 -7.758 5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.799 -7.830 3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.824 -5.278 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -0.182 -6.243 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.392 -3.167 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 119 1.032 -4.132 7.019 1.00 0.00 H new ATOM 0 HH TYR A 119 2.354 -2.528 5.524 1.00 0.00 H new ATOM 1970 N TYR A 120 -4.005 -8.496 2.520 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.650 -9.735 2.112 1.00 0.00 C ATOM 1972 C TYR A 120 -3.760 -10.476 1.125 1.00 0.00 C ATOM 1973 O TYR A 120 -3.077 -9.860 0.302 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.005 -9.455 1.447 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.010 -8.727 2.313 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -6.973 -7.346 2.441 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -8.005 -9.420 2.987 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -7.897 -6.677 3.219 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.934 -8.759 3.769 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.875 -7.388 3.882 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.795 -6.725 4.662 1.00 0.00 O ATOM 0 H TYR A 120 -4.027 -7.762 1.812 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.812 -10.343 3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.834 -8.868 0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.440 -10.404 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.209 -6.785 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.055 -10.495 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.854 -5.602 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.701 -9.315 4.288 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.415 -7.372 5.058 1.00 0.00 H new ATOM 1991 N THR A 121 -3.768 -11.793 1.202 1.00 0.00 N ATOM 1992 CA THR A 121 -3.070 -12.605 0.222 1.00 0.00 C ATOM 1993 C THR A 121 -3.902 -12.671 -1.061 1.00 0.00 C ATOM 1994 O THR A 121 -5.030 -12.175 -1.096 1.00 0.00 O ATOM 1995 CB THR A 121 -2.790 -14.027 0.771 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.166 -14.846 -0.226 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.071 -14.692 1.250 1.00 0.00 C ATOM 0 H THR A 121 -4.248 -12.322 1.930 1.00 0.00 H new ATOM 0 HA THR A 121 -2.106 -12.146 0.004 1.00 0.00 H new ATOM 0 HB THR A 121 -2.112 -13.922 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.362 -15.263 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.844 -15.688 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.516 -14.094 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.772 -14.772 0.419 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.356 -13.274 -2.109 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.080 -13.435 -3.368 1.00 0.00 C ATOM 2007 C PHE A 122 -5.328 -14.288 -3.143 1.00 0.00 C ATOM 2008 O PHE A 122 -6.280 -14.253 -3.921 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.167 -14.078 -4.418 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.759 -14.129 -5.801 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.911 -12.972 -6.545 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -4.156 -15.335 -6.355 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -4.449 -13.015 -7.819 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -4.693 -15.385 -7.627 1.00 0.00 C ATOM 2015 CZ PHE A 122 -4.840 -14.224 -8.359 1.00 0.00 C ATOM 0 H PHE A 122 -2.412 -13.661 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.390 -12.456 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.229 -13.524 -4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.925 -15.092 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.606 -12.024 -6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.045 -16.246 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.563 -12.105 -8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.998 -16.332 -8.048 1.00 0.00 H new ATOM 0 HZ PHE A 122 -5.260 -14.261 -9.353 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.310 -15.027 -2.040 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.413 -15.894 -1.646 1.00 0.00 C ATOM 2027 C ASP A 123 -7.554 -15.092 -1.002 1.00 0.00 C ATOM 2028 O ASP A 123 -8.551 -15.664 -0.564 1.00 0.00 O ATOM 2029 CB ASP A 123 -5.881 -16.957 -0.674 1.00 0.00 C ATOM 2030 CG ASP A 123 -6.944 -17.923 -0.197 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -7.347 -18.808 -0.981 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -7.381 -17.797 0.965 1.00 0.00 O ATOM 0 H ASP A 123 -4.524 -15.041 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.822 -16.376 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.084 -17.518 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.439 -16.460 0.189 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.396 -13.762 -0.941 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.426 -12.861 -0.389 1.00 0.00 C ATOM 2039 C ASN A 124 -8.438 -12.894 1.147 1.00 0.00 C ATOM 2040 O ASN A 124 -9.065 -12.060 1.798 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.818 -13.197 -0.982 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.991 -12.746 -0.122 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -11.462 -11.613 -0.230 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -11.484 -13.641 0.727 1.00 0.00 N ATOM 0 H ASN A 124 -6.559 -13.281 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 124 -8.176 -11.841 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.903 -12.733 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.886 -14.275 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -12.280 -13.399 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.067 -14.570 0.788 1.00 0.00 H new ATOM 2051 N SER A 125 -7.706 -13.833 1.717 1.00 0.00 N ATOM 2052 CA SER A 125 -7.660 -13.993 3.161 1.00 0.00 C ATOM 2053 C SER A 125 -6.775 -12.924 3.802 1.00 0.00 C ATOM 2054 O SER A 125 -5.690 -12.617 3.300 1.00 0.00 O ATOM 2055 CB SER A 125 -7.155 -15.392 3.507 1.00 0.00 C ATOM 2056 OG SER A 125 -8.055 -16.385 3.035 1.00 0.00 O ATOM 0 H SER A 125 -7.132 -14.500 1.201 1.00 0.00 H new ATOM 0 HA SER A 125 -8.667 -13.871 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.171 -15.548 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.038 -15.485 4.587 1.00 0.00 H new ATOM 0 HG SER A 125 -7.782 -16.674 2.139 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.259 -12.348 4.897 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.525 -11.311 5.609 1.00 0.00 C ATOM 2064 C LEU A 126 -5.386 -11.923 6.413 1.00 0.00 C ATOM 2065 O LEU A 126 -5.588 -12.856 7.190 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.471 -10.534 6.532 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.832 -9.388 7.322 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.227 -8.355 6.383 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.865 -8.738 8.229 1.00 0.00 C ATOM 0 H LEU A 126 -8.161 -12.584 5.311 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.101 -10.621 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.284 -10.128 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.917 -11.234 7.239 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.031 -9.798 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.779 -7.551 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.461 -8.827 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.007 -7.946 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.400 -7.925 8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.682 -8.344 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.254 -9.479 8.927 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.185 -11.402 6.216 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.012 -11.933 6.884 1.00 0.00 C ATOM 2083 C LEU A 127 -2.620 -11.067 8.069 1.00 0.00 C ATOM 2084 O LEU A 127 -2.590 -11.530 9.209 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.849 -12.038 5.901 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.121 -12.912 4.681 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.898 -12.967 3.782 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.538 -14.310 5.116 1.00 0.00 C ATOM 0 H LEU A 127 -3.999 -10.612 5.598 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.254 -12.928 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.587 -11.036 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.981 -12.434 6.428 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.940 -12.472 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.110 -13.595 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.647 -11.961 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.058 -13.385 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.729 -14.923 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.740 -14.761 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.444 -14.248 5.719 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.336 -9.803 7.800 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.855 -8.907 8.837 1.00 0.00 C ATOM 2102 C PHE A 128 -2.515 -7.541 8.706 1.00 0.00 C ATOM 2103 O PHE A 128 -3.009 -7.178 7.634 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.328 -8.779 8.751 1.00 0.00 C ATOM 2105 CG PHE A 128 0.294 -8.063 9.915 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.405 -8.686 11.146 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.764 -6.765 9.777 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.975 -8.029 12.221 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.334 -6.104 10.848 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.439 -6.737 12.072 1.00 0.00 C ATOM 0 H PHE A 128 -2.430 -9.377 6.878 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.117 -9.321 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.106 -9.776 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.070 -8.251 7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.043 -9.696 11.268 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.683 -6.266 8.823 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.057 -8.526 13.176 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.697 -5.094 10.729 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.883 -6.222 12.911 1.00 0.00 H new ATOM 2120 N THR A 129 -2.544 -6.797 9.801 1.00 0.00 N ATOM 2121 CA THR A 129 -3.122 -5.468 9.810 1.00 0.00 C ATOM 2122 C THR A 129 -2.336 -4.545 10.735 1.00 0.00 C ATOM 2123 O THR A 129 -2.375 -4.697 11.956 1.00 0.00 O ATOM 2124 CB THR A 129 -4.596 -5.511 10.261 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.319 -6.456 9.461 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.245 -4.142 10.145 1.00 0.00 C ATOM 0 H THR A 129 -2.170 -7.097 10.701 1.00 0.00 H new ATOM 0 HA THR A 129 -3.075 -5.081 8.792 1.00 0.00 H new ATOM 0 HB THR A 129 -4.624 -5.816 11.307 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.983 -5.984 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.284 -4.203 10.470 1.00 0.00 H new ATOM 0 HG22 THR A 129 -4.709 -3.431 10.774 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.208 -3.809 9.108 1.00 0.00 H new ATOM 2134 N GLU A 130 -1.601 -3.610 10.152 1.00 0.00 N ATOM 2135 CA GLU A 130 -0.877 -2.617 10.934 1.00 0.00 C ATOM 2136 C GLU A 130 -1.586 -1.275 10.835 1.00 0.00 C ATOM 2137 O GLU A 130 -1.909 -0.810 9.744 1.00 0.00 O ATOM 2138 CB GLU A 130 0.590 -2.501 10.490 1.00 0.00 C ATOM 2139 CG GLU A 130 0.789 -2.338 8.992 1.00 0.00 C ATOM 2140 CD GLU A 130 2.247 -2.125 8.617 1.00 0.00 C ATOM 2141 OE1 GLU A 130 3.098 -2.948 9.016 1.00 0.00 O ATOM 2142 OE2 GLU A 130 2.539 -1.143 7.905 1.00 0.00 O ATOM 0 H GLU A 130 -1.490 -3.517 9.142 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.867 -2.940 11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.043 -1.649 10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.127 -3.391 10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.411 -3.223 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.200 -1.491 8.641 1.00 0.00 H new ATOM 2149 N SER A 131 -1.857 -0.668 11.974 1.00 0.00 N ATOM 2150 CA SER A 131 -2.612 0.567 12.009 1.00 0.00 C ATOM 2151 C SER A 131 -1.703 1.774 11.826 1.00 0.00 C ATOM 2152 O SER A 131 -0.589 1.809 12.343 1.00 0.00 O ATOM 2153 CB SER A 131 -3.376 0.667 13.330 1.00 0.00 C ATOM 2154 OG SER A 131 -2.523 0.420 14.433 1.00 0.00 O ATOM 0 H SER A 131 -1.564 -1.012 12.889 1.00 0.00 H new ATOM 0 HA SER A 131 -3.323 0.561 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.818 1.659 13.424 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.197 -0.050 13.334 1.00 0.00 H new ATOM 0 HG SER A 131 -2.290 1.269 14.863 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.186 2.765 11.087 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.464 4.019 10.930 1.00 0.00 C ATOM 2162 C ILE A 132 -1.790 4.935 12.102 1.00 0.00 C ATOM 2163 O ILE A 132 -1.316 6.067 12.191 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.798 4.719 9.594 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.300 4.991 9.475 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.318 3.867 8.427 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.681 5.784 8.243 1.00 0.00 C ATOM 0 H ILE A 132 -3.074 2.724 10.588 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.397 3.797 10.915 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.281 5.679 9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.832 4.040 9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.633 5.531 10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.557 4.367 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.239 3.726 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.813 2.896 8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.760 5.937 8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -3.178 6.751 8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.380 5.236 7.350 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.627 4.417 12.991 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.952 5.075 14.239 1.00 0.00 C ATOM 2181 C GLN A 133 -2.308 4.334 15.400 1.00 0.00 C ATOM 2182 O GLN A 133 -2.082 3.126 15.324 1.00 0.00 O ATOM 2183 CB GLN A 133 -4.467 5.133 14.433 1.00 0.00 C ATOM 2184 CG GLN A 133 -5.100 6.412 13.914 1.00 0.00 C ATOM 2185 CD GLN A 133 -4.755 7.616 14.770 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -3.696 7.667 15.396 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -5.644 8.594 14.797 1.00 0.00 N ATOM 0 H GLN A 133 -3.100 3.523 12.861 1.00 0.00 H new ATOM 0 HA GLN A 133 -2.565 6.094 14.207 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -4.922 4.282 13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -4.693 5.031 15.494 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -4.768 6.590 12.891 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.183 6.291 13.881 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -6.509 8.511 14.263 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -5.465 9.431 15.351 1.00 0.00 H new