USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=35 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 -158:sc=0.000425 USER MOD Set 1.2: A 119 TYR OH : rot 26:sc= 1.25 USER MOD Set 2.1: A 116 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.21) USER MOD Set 2.2: A 118 TYR OH : rot 180:sc= -0.0589 USER MOD Set 3.1: A 82 THR OG1 : rot 70:sc= 0.936 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -172:sc= 1.21 (180deg=0) USER MOD Set 3.3: A 99 ASN : amide:sc= 0.126 K(o=2.3,f=-7.3!) USER MOD Set 4.1: A 40 TYR OH : rot 180:sc= 0.44 USER MOD Set 4.2: A 110 THR OG1 : rot 152:sc= 1.18 USER MOD Set 5.1: A 26 GLN : amide:sc= -0.82 X(o=0.44,f=0.53) USER MOD Set 5.2: A 30 SER OG : rot 68:sc= 1.26 USER MOD Set 6.1: A 14 GLN : amide:sc= -0.135 K(o=0.074,f=-3.3) USER MOD Set 6.2: A 18 LYS NZ :NH3+ -166:sc= 0.209 (180deg=-0.213) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.129 F(o=-0.9,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 21 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.0321 K(o=-0.032,f=-6.2!) USER MOD Single : A 25 TYR OH : rot 26:sc= 0.198 USER MOD Single : A 29 TYR OH : rot 120:sc= 0.97 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc=-0.00831 (180deg=-0.155) USER MOD Single : A 35 HIS : no HD1:sc= -0.0673 K(o=-0.067,f=-1.9!) USER MOD Single : A 36 ASN : amide:sc= -1.55! C(o=-1.5!,f=-3.9!) USER MOD Single : A 38 SER OG : rot -140:sc= -0.143 USER MOD Single : A 39 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 42 TYR OH : rot 9:sc= 1.9 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.00923 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.157 F(o=-1.8,f=-0.16) USER MOD Single : A 50 HIS : no HD1:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc=-0.00153 (180deg=-0.192) USER MOD Single : A 55 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.59) USER MOD Single : A 57 ASN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -120:sc= -0.178 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0287 (180deg=-0.265) USER MOD Single : A 73 SER OG : rot -1:sc= 0.182 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 83 SER OG : rot 72:sc= 0.446 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.132 (180deg=-0.497) USER MOD Single : A 88 SER OG : rot 77:sc= 0.0197 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.119 K(o=-0.12,f=-14!) USER MOD Single : A 102 LYS NZ :NH3+ -154:sc= -0.158 (180deg=-0.794) USER MOD Single : A 111 ASN : amide:sc= -0.18 K(o=-0.18,f=-4.6!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= 1.19 K(o=1.2,f=-0.022) USER MOD Single : A 120 TYR OH : rot 119:sc= 0.00309 USER MOD Single : A 121 THR OG1 : rot 44:sc= 0.65 USER MOD Single : A 124 ASN : amide:sc= 1.03 K(o=1,f=-5.2!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -114:sc= -0.313 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc=-0.00188 K(o=-0.0019,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.253 15.880 -15.469 1.00 0.00 N ATOM 2 CA ASP A 7 -6.062 14.714 -15.138 1.00 0.00 C ATOM 3 C ASP A 7 -5.879 14.324 -13.680 1.00 0.00 C ATOM 4 O ASP A 7 -4.794 14.482 -13.121 1.00 0.00 O ATOM 5 CB ASP A 7 -5.698 13.538 -16.041 1.00 0.00 C ATOM 6 CG ASP A 7 -6.664 12.385 -15.892 1.00 0.00 C ATOM 7 OD1 ASP A 7 -7.728 12.406 -16.546 1.00 0.00 O ATOM 8 OD2 ASP A 7 -6.374 11.453 -15.120 1.00 0.00 O ATOM 0 HA ASP A 7 -7.108 14.974 -15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.687 13.869 -17.079 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.690 13.198 -15.804 1.00 0.00 H new ATOM 13 N GLN A 8 -6.941 13.800 -13.080 1.00 0.00 N ATOM 14 CA GLN A 8 -6.956 13.456 -11.662 1.00 0.00 C ATOM 15 C GLN A 8 -5.965 12.336 -11.343 1.00 0.00 C ATOM 16 O GLN A 8 -5.398 12.295 -10.246 1.00 0.00 O ATOM 17 CB GLN A 8 -8.375 13.050 -11.251 1.00 0.00 C ATOM 18 CG GLN A 8 -8.530 12.732 -9.773 1.00 0.00 C ATOM 19 CD GLN A 8 -9.981 12.548 -9.368 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.806 12.118 -10.308 1.00 0.00 O flip ATOM 21 NE2 GLN A 8 -10.358 12.799 -8.224 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.817 13.601 -13.563 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.648 14.333 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.061 13.856 -11.511 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.674 12.177 -11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.973 11.825 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.091 13.537 -9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.690 13.129 -7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.339 12.677 -7.972 1.00 0.00 H new ATOM 30 N VAL A 9 -5.744 11.444 -12.306 1.00 0.00 N ATOM 31 CA VAL A 9 -4.808 10.337 -12.127 1.00 0.00 C ATOM 32 C VAL A 9 -3.403 10.867 -11.855 1.00 0.00 C ATOM 33 O VAL A 9 -2.655 10.294 -11.064 1.00 0.00 O ATOM 34 CB VAL A 9 -4.788 9.401 -13.362 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.696 8.348 -13.244 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.142 8.733 -13.542 1.00 0.00 C ATOM 0 H VAL A 9 -6.200 11.466 -13.218 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.147 9.757 -11.269 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.573 10.012 -14.238 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.710 7.709 -14.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.725 8.838 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.869 7.742 -12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.112 8.079 -14.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.379 8.145 -12.655 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.907 9.495 -13.687 1.00 0.00 H new ATOM 46 N VAL A 10 -3.072 11.989 -12.485 1.00 0.00 N ATOM 47 CA VAL A 10 -1.752 12.591 -12.337 1.00 0.00 C ATOM 48 C VAL A 10 -1.494 12.996 -10.887 1.00 0.00 C ATOM 49 O VAL A 10 -0.404 12.774 -10.362 1.00 0.00 O ATOM 50 CB VAL A 10 -1.590 13.824 -13.253 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.198 14.427 -13.118 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.871 13.450 -14.700 1.00 0.00 C ATOM 0 H VAL A 10 -3.701 12.501 -13.104 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.021 11.838 -12.632 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.314 14.576 -12.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.112 15.293 -13.774 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.034 14.736 -12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.549 13.684 -13.398 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.753 14.330 -15.333 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.171 12.677 -15.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.891 13.075 -14.787 1.00 0.00 H new ATOM 62 N ILE A 11 -2.506 13.566 -10.242 1.00 0.00 N ATOM 63 CA ILE A 11 -2.367 14.019 -8.860 1.00 0.00 C ATOM 64 C ILE A 11 -2.107 12.838 -7.931 1.00 0.00 C ATOM 65 O ILE A 11 -1.124 12.822 -7.190 1.00 0.00 O ATOM 66 CB ILE A 11 -3.619 14.800 -8.361 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.761 16.146 -9.085 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.555 15.026 -6.855 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.316 16.041 -10.488 1.00 0.00 C ATOM 0 H ILE A 11 -3.427 13.725 -10.650 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.516 14.700 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.494 14.191 -8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.410 16.795 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.784 16.627 -9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.440 15.573 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.516 14.064 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.663 15.603 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.384 17.036 -10.928 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.657 15.420 -11.095 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.308 15.591 -10.454 1.00 0.00 H new ATOM 81 N PHE A 12 -2.978 11.840 -7.994 1.00 0.00 N ATOM 82 CA PHE A 12 -2.875 10.685 -7.111 1.00 0.00 C ATOM 83 C PHE A 12 -1.610 9.879 -7.388 1.00 0.00 C ATOM 84 O PHE A 12 -0.921 9.467 -6.456 1.00 0.00 O ATOM 85 CB PHE A 12 -4.115 9.797 -7.232 1.00 0.00 C ATOM 86 CG PHE A 12 -5.334 10.377 -6.568 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.568 10.167 -5.218 1.00 0.00 C ATOM 88 CD2 PHE A 12 -6.243 11.130 -7.292 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.685 10.699 -4.602 1.00 0.00 C ATOM 90 CE2 PHE A 12 -7.362 11.665 -6.680 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.584 11.449 -5.336 1.00 0.00 C ATOM 0 H PHE A 12 -3.762 11.806 -8.645 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.814 11.058 -6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.331 9.629 -8.287 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.900 8.823 -6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.869 9.580 -4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.076 11.301 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.855 10.529 -3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.063 12.252 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.459 11.865 -4.858 1.00 0.00 H new ATOM 101 N LYS A 13 -1.300 9.665 -8.664 1.00 0.00 N ATOM 102 CA LYS A 13 -0.105 8.911 -9.034 1.00 0.00 C ATOM 103 C LYS A 13 1.143 9.602 -8.511 1.00 0.00 C ATOM 104 O LYS A 13 2.043 8.952 -7.984 1.00 0.00 O ATOM 105 CB LYS A 13 -0.002 8.740 -10.555 1.00 0.00 C ATOM 106 CG LYS A 13 1.331 8.162 -11.005 1.00 0.00 C ATOM 107 CD LYS A 13 1.409 8.012 -12.513 1.00 0.00 C ATOM 108 CE LYS A 13 2.830 7.704 -12.969 1.00 0.00 C ATOM 109 NZ LYS A 13 3.356 6.438 -12.384 1.00 0.00 N ATOM 0 H LYS A 13 -1.854 9.999 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.186 7.923 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.807 8.089 -10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.151 9.708 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.140 8.808 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.480 7.189 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.741 7.214 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.063 8.929 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.852 7.634 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.485 8.529 -12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.325 6.274 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.362 6.511 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.749 5.644 -12.672 1.00 0.00 H new ATOM 123 N GLN A 14 1.177 10.924 -8.638 1.00 0.00 N ATOM 124 CA GLN A 14 2.341 11.708 -8.248 1.00 0.00 C ATOM 125 C GLN A 14 2.660 11.508 -6.769 1.00 0.00 C ATOM 126 O GLN A 14 3.824 11.397 -6.385 1.00 0.00 O ATOM 127 CB GLN A 14 2.095 13.189 -8.535 1.00 0.00 C ATOM 128 CG GLN A 14 3.371 13.989 -8.726 1.00 0.00 C ATOM 129 CD GLN A 14 4.156 13.528 -9.939 1.00 0.00 C ATOM 130 OE1 GLN A 14 5.021 12.652 -9.842 1.00 0.00 O ATOM 131 NE2 GLN A 14 3.854 14.107 -11.088 1.00 0.00 N ATOM 0 H GLN A 14 0.406 11.477 -9.011 1.00 0.00 H new ATOM 0 HA GLN A 14 3.196 11.367 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.481 13.280 -9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.525 13.621 -7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.124 15.045 -8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.993 13.897 -7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.132 14.827 -11.122 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.343 13.834 -11.941 1.00 0.00 H new ATOM 140 N ILE A 15 1.616 11.451 -5.950 1.00 0.00 N ATOM 141 CA ILE A 15 1.770 11.261 -4.512 1.00 0.00 C ATOM 142 C ILE A 15 2.412 9.908 -4.208 1.00 0.00 C ATOM 143 O ILE A 15 3.442 9.833 -3.533 1.00 0.00 O ATOM 144 CB ILE A 15 0.409 11.350 -3.790 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.282 12.676 -4.118 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.590 11.202 -2.285 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.686 12.785 -3.561 1.00 0.00 C ATOM 0 H ILE A 15 0.648 11.534 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 15 2.418 12.058 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.222 10.533 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.320 13.496 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.320 12.798 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.381 11.268 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.043 10.235 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.238 11.998 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.112 13.751 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.304 11.987 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.655 12.696 -2.475 1.00 0.00 H new ATOM 159 N PHE A 16 1.808 8.842 -4.728 1.00 0.00 N ATOM 160 CA PHE A 16 2.299 7.487 -4.493 1.00 0.00 C ATOM 161 C PHE A 16 3.674 7.283 -5.118 1.00 0.00 C ATOM 162 O PHE A 16 4.537 6.616 -4.544 1.00 0.00 O ATOM 163 CB PHE A 16 1.314 6.451 -5.047 1.00 0.00 C ATOM 164 CG PHE A 16 0.057 6.307 -4.232 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.988 7.206 -4.371 1.00 0.00 C ATOM 166 CD2 PHE A 16 -0.080 5.264 -3.329 1.00 0.00 C ATOM 167 CE1 PHE A 16 -2.145 7.067 -3.630 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.235 5.121 -2.583 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.269 6.025 -2.734 1.00 0.00 C ATOM 0 H PHE A 16 0.976 8.891 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 16 2.387 7.350 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.045 6.729 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.813 5.483 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.897 8.026 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.725 4.555 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.953 7.774 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.329 4.304 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.172 5.916 -2.152 1.00 0.00 H new ATOM 179 N ASP A 17 3.882 7.878 -6.281 1.00 0.00 N ATOM 180 CA ASP A 17 5.139 7.729 -7.006 1.00 0.00 C ATOM 181 C ASP A 17 6.283 8.443 -6.296 1.00 0.00 C ATOM 182 O ASP A 17 7.447 8.108 -6.508 1.00 0.00 O ATOM 183 CB ASP A 17 4.996 8.240 -8.440 1.00 0.00 C ATOM 184 CG ASP A 17 4.953 7.111 -9.455 1.00 0.00 C ATOM 185 OD1 ASP A 17 3.854 6.565 -9.715 1.00 0.00 O ATOM 186 OD2 ASP A 17 6.021 6.758 -9.991 1.00 0.00 O ATOM 0 H ASP A 17 3.196 8.471 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 17 5.379 6.666 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.086 8.834 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.830 8.902 -8.672 1.00 0.00 H new ATOM 191 N LYS A 18 5.956 9.423 -5.460 1.00 0.00 N ATOM 192 CA LYS A 18 6.973 10.127 -4.678 1.00 0.00 C ATOM 193 C LYS A 18 7.265 9.402 -3.369 1.00 0.00 C ATOM 194 O LYS A 18 8.422 9.274 -2.964 1.00 0.00 O ATOM 195 CB LYS A 18 6.551 11.571 -4.372 1.00 0.00 C ATOM 196 CG LYS A 18 6.613 12.507 -5.568 1.00 0.00 C ATOM 197 CD LYS A 18 7.963 12.439 -6.262 1.00 0.00 C ATOM 198 CE LYS A 18 8.166 13.608 -7.212 1.00 0.00 C ATOM 199 NZ LYS A 18 6.975 13.854 -8.067 1.00 0.00 N ATOM 0 H LYS A 18 5.002 9.748 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 18 7.877 10.146 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.533 11.565 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.192 11.965 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.826 12.247 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.422 13.529 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.757 12.435 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.041 11.503 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.389 14.506 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.031 13.412 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.234 14.490 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.633 12.951 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.224 14.294 -7.498 1.00 0.00 H new ATOM 213 N VAL A 19 6.218 8.919 -2.708 1.00 0.00 N ATOM 214 CA VAL A 19 6.376 8.279 -1.406 1.00 0.00 C ATOM 215 C VAL A 19 7.188 6.985 -1.527 1.00 0.00 C ATOM 216 O VAL A 19 7.765 6.506 -0.549 1.00 0.00 O ATOM 217 CB VAL A 19 5.011 7.996 -0.732 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.258 6.879 -1.441 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.189 7.676 0.745 1.00 0.00 C ATOM 0 H VAL A 19 5.257 8.958 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 19 6.921 8.977 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 19 4.411 8.902 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.305 6.708 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.078 7.163 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.852 5.965 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.216 7.481 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.821 6.795 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.658 8.523 1.247 1.00 0.00 H new ATOM 229 N ARG A 20 7.244 6.436 -2.739 1.00 0.00 N ATOM 230 CA ARG A 20 8.037 5.241 -2.998 1.00 0.00 C ATOM 231 C ARG A 20 9.530 5.508 -2.810 1.00 0.00 C ATOM 232 O ARG A 20 10.275 4.614 -2.403 1.00 0.00 O ATOM 233 CB ARG A 20 7.780 4.706 -4.411 1.00 0.00 C ATOM 234 CG ARG A 20 6.397 4.102 -4.592 1.00 0.00 C ATOM 235 CD ARG A 20 6.201 3.580 -6.004 1.00 0.00 C ATOM 236 NE ARG A 20 4.861 3.027 -6.205 1.00 0.00 N ATOM 237 CZ ARG A 20 4.025 3.447 -7.150 1.00 0.00 C ATOM 238 NH1 ARG A 20 4.395 4.411 -7.985 1.00 0.00 N ATOM 239 NH2 ARG A 20 2.824 2.890 -7.261 1.00 0.00 N ATOM 0 H ARG A 20 6.750 6.800 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 20 7.728 4.488 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.909 5.518 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.530 3.951 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.257 3.289 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.639 4.853 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.370 4.388 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.945 2.811 -6.212 1.00 0.00 H new ATOM 0 HE ARG A 20 4.551 2.278 -5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.321 4.830 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.753 4.732 -8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.547 2.144 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.179 3.208 -7.984 1.00 0.00 H new ATOM 253 N ASN A 21 9.968 6.728 -3.104 1.00 0.00 N ATOM 254 CA ASN A 21 11.384 7.069 -2.986 1.00 0.00 C ATOM 255 C ASN A 21 11.659 7.945 -1.769 1.00 0.00 C ATOM 256 O ASN A 21 12.598 7.687 -1.017 1.00 0.00 O ATOM 257 CB ASN A 21 11.905 7.759 -4.260 1.00 0.00 C ATOM 258 CG ASN A 21 11.115 8.998 -4.656 1.00 0.00 C ATOM 259 OD1 ASN A 21 10.125 8.907 -5.376 1.00 0.00 O ATOM 260 ND2 ASN A 21 11.563 10.163 -4.212 1.00 0.00 N ATOM 0 H ASN A 21 9.371 7.491 -3.423 1.00 0.00 H new ATOM 0 HA ASN A 21 11.920 6.129 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.948 8.037 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.881 7.046 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.081 11.025 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.389 10.198 -3.615 1.00 0.00 H new ATOM 267 N ASP A 22 10.838 8.963 -1.565 1.00 0.00 N ATOM 268 CA ASP A 22 11.110 9.953 -0.532 1.00 0.00 C ATOM 269 C ASP A 22 10.730 9.424 0.850 1.00 0.00 C ATOM 270 O ASP A 22 11.329 9.812 1.855 1.00 0.00 O ATOM 271 CB ASP A 22 10.353 11.252 -0.826 1.00 0.00 C ATOM 272 CG ASP A 22 10.870 12.433 -0.025 1.00 0.00 C ATOM 273 OD1 ASP A 22 11.839 13.081 -0.474 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.307 12.736 1.046 1.00 0.00 O ATOM 0 H ASP A 22 9.983 9.126 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 22 12.181 10.158 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.431 11.479 -1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.295 11.107 -0.608 1.00 0.00 H new ATOM 279 N LEU A 23 9.745 8.520 0.883 1.00 0.00 N ATOM 280 CA LEU A 23 9.232 7.957 2.139 1.00 0.00 C ATOM 281 C LEU A 23 8.584 9.035 3.002 1.00 0.00 C ATOM 282 O LEU A 23 8.601 8.954 4.232 1.00 0.00 O ATOM 283 CB LEU A 23 10.345 7.255 2.928 1.00 0.00 C ATOM 284 CG LEU A 23 10.865 5.958 2.313 1.00 0.00 C ATOM 285 CD1 LEU A 23 11.973 5.376 3.172 1.00 0.00 C ATOM 286 CD2 LEU A 23 9.735 4.956 2.161 1.00 0.00 C ATOM 0 H LEU A 23 9.283 8.160 0.048 1.00 0.00 H new ATOM 0 HA LEU A 23 8.474 7.219 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.181 7.946 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.976 7.039 3.931 1.00 0.00 H new ATOM 0 HG LEU A 23 11.269 6.179 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.335 4.451 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.793 6.091 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.588 5.167 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.121 4.036 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.307 4.739 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.964 5.373 1.513 1.00 0.00 H new ATOM 298 N ASN A 24 7.999 10.027 2.352 1.00 0.00 N ATOM 299 CA ASN A 24 7.335 11.114 3.054 1.00 0.00 C ATOM 300 C ASN A 24 5.885 10.753 3.373 1.00 0.00 C ATOM 301 O ASN A 24 4.957 11.111 2.646 1.00 0.00 O ATOM 302 CB ASN A 24 7.408 12.421 2.246 1.00 0.00 C ATOM 303 CG ASN A 24 6.816 12.314 0.847 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.828 11.252 0.223 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.308 13.427 0.339 1.00 0.00 N ATOM 0 H ASN A 24 7.970 10.103 1.335 1.00 0.00 H new ATOM 0 HA ASN A 24 7.860 11.272 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.884 13.205 2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.450 12.730 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.909 13.423 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.316 14.288 0.886 1.00 0.00 H new ATOM 312 N TYR A 25 5.693 10.035 4.474 1.00 0.00 N ATOM 313 CA TYR A 25 4.366 9.590 4.871 1.00 0.00 C ATOM 314 C TYR A 25 3.555 10.746 5.438 1.00 0.00 C ATOM 315 O TYR A 25 2.324 10.718 5.420 1.00 0.00 O ATOM 316 CB TYR A 25 4.460 8.459 5.896 1.00 0.00 C ATOM 317 CG TYR A 25 5.123 7.209 5.363 1.00 0.00 C ATOM 318 CD1 TYR A 25 4.463 6.383 4.463 1.00 0.00 C ATOM 319 CD2 TYR A 25 6.405 6.854 5.762 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.061 5.235 3.979 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.010 5.710 5.282 1.00 0.00 C ATOM 322 CZ TYR A 25 6.334 4.904 4.391 1.00 0.00 C ATOM 323 OH TYR A 25 6.932 3.759 3.919 1.00 0.00 O ATOM 0 H TYR A 25 6.441 9.750 5.106 1.00 0.00 H new ATOM 0 HA TYR A 25 3.858 9.214 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.016 8.813 6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.457 8.209 6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.467 6.642 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.937 7.484 6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.534 4.601 3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.007 5.448 5.603 1.00 0.00 H new ATOM 0 HH TYR A 25 6.551 3.527 3.046 1.00 0.00 H new ATOM 333 N GLN A 26 4.253 11.764 5.927 1.00 0.00 N ATOM 334 CA GLN A 26 3.609 12.956 6.465 1.00 0.00 C ATOM 335 C GLN A 26 2.720 13.581 5.393 1.00 0.00 C ATOM 336 O GLN A 26 1.506 13.683 5.561 1.00 0.00 O ATOM 337 CB GLN A 26 4.683 13.949 6.935 1.00 0.00 C ATOM 338 CG GLN A 26 4.197 15.069 7.859 1.00 0.00 C ATOM 339 CD GLN A 26 3.324 16.097 7.166 1.00 0.00 C ATOM 340 OE1 GLN A 26 3.823 17.032 6.544 1.00 0.00 O ATOM 341 NE2 GLN A 26 2.018 15.964 7.318 1.00 0.00 N ATOM 0 H GLN A 26 5.272 11.787 5.962 1.00 0.00 H new ATOM 0 HA GLN A 26 2.986 12.690 7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.465 13.392 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.141 14.402 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.638 14.629 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.062 15.572 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.643 15.173 7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.385 16.652 6.912 1.00 0.00 H new ATOM 350 N TRP A 27 3.332 13.963 4.278 1.00 0.00 N ATOM 351 CA TRP A 27 2.609 14.589 3.177 1.00 0.00 C ATOM 352 C TRP A 27 1.673 13.577 2.513 1.00 0.00 C ATOM 353 O TRP A 27 0.563 13.917 2.097 1.00 0.00 O ATOM 354 CB TRP A 27 3.612 15.147 2.157 1.00 0.00 C ATOM 355 CG TRP A 27 2.985 15.946 1.052 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.512 17.226 1.127 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.775 15.520 -0.301 1.00 0.00 C ATOM 358 NE1 TRP A 27 2.018 17.617 -0.094 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.169 16.587 -0.985 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.040 14.336 -1.001 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.824 16.512 -2.331 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.697 14.263 -2.338 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.096 15.344 -2.991 1.00 0.00 C ATOM 0 H TRP A 27 4.332 13.849 4.112 1.00 0.00 H new ATOM 0 HA TRP A 27 2.004 15.409 3.564 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.334 15.775 2.680 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.168 14.318 1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.525 17.840 2.015 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.606 18.526 -0.303 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.504 13.496 -0.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.359 17.345 -2.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.897 13.355 -2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.841 15.255 -4.037 1.00 0.00 H new ATOM 374 N PHE A 28 2.126 12.328 2.453 1.00 0.00 N ATOM 375 CA PHE A 28 1.369 11.243 1.836 1.00 0.00 C ATOM 376 C PHE A 28 -0.012 11.081 2.475 1.00 0.00 C ATOM 377 O PHE A 28 -1.034 11.165 1.794 1.00 0.00 O ATOM 378 CB PHE A 28 2.168 9.938 1.951 1.00 0.00 C ATOM 379 CG PHE A 28 1.480 8.727 1.388 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.196 8.638 0.035 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.132 7.670 2.212 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.578 7.520 -0.484 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.510 6.548 1.697 1.00 0.00 C ATOM 384 CZ PHE A 28 0.234 6.473 0.346 1.00 0.00 C ATOM 0 H PHE A 28 3.028 12.039 2.831 1.00 0.00 H new ATOM 0 HA PHE A 28 1.212 11.488 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.122 10.067 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.391 9.756 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.462 9.454 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.349 7.723 3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.363 7.464 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.240 5.731 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.250 5.597 -0.060 1.00 0.00 H new ATOM 394 N TYR A 29 -0.040 10.869 3.788 1.00 0.00 N ATOM 395 CA TYR A 29 -1.299 10.644 4.492 1.00 0.00 C ATOM 396 C TYR A 29 -2.123 11.923 4.609 1.00 0.00 C ATOM 397 O TYR A 29 -3.342 11.867 4.772 1.00 0.00 O ATOM 398 CB TYR A 29 -1.052 10.035 5.875 1.00 0.00 C ATOM 399 CG TYR A 29 -0.733 8.557 5.822 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.747 7.625 5.647 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.572 8.092 5.937 1.00 0.00 C ATOM 402 CE1 TYR A 29 -1.473 6.275 5.589 1.00 0.00 C ATOM 403 CE2 TYR A 29 0.854 6.741 5.881 1.00 0.00 C ATOM 404 CZ TYR A 29 -0.174 5.838 5.706 1.00 0.00 C ATOM 405 OH TYR A 29 0.098 4.491 5.644 1.00 0.00 O ATOM 0 H TYR A 29 0.789 10.848 4.383 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.876 9.935 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.228 10.562 6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.934 10.189 6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.768 7.963 5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.378 8.798 6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.274 5.564 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.873 6.394 5.974 1.00 0.00 H new ATOM 0 HH TYR A 29 0.701 4.313 4.893 1.00 0.00 H new ATOM 415 N SER A 30 -1.465 13.072 4.512 1.00 0.00 N ATOM 416 CA SER A 30 -2.167 14.346 4.564 1.00 0.00 C ATOM 417 C SER A 30 -3.108 14.491 3.375 1.00 0.00 C ATOM 418 O SER A 30 -4.296 14.771 3.545 1.00 0.00 O ATOM 419 CB SER A 30 -1.176 15.507 4.605 1.00 0.00 C ATOM 420 OG SER A 30 -0.401 15.459 5.790 1.00 0.00 O ATOM 0 H SER A 30 -0.454 13.147 4.398 1.00 0.00 H new ATOM 0 HA SER A 30 -2.761 14.369 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.522 15.465 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.714 16.454 4.554 1.00 0.00 H new ATOM 0 HG SER A 30 0.190 14.678 5.763 1.00 0.00 H new ATOM 426 N GLU A 31 -2.583 14.272 2.175 1.00 0.00 N ATOM 427 CA GLU A 31 -3.396 14.357 0.969 1.00 0.00 C ATOM 428 C GLU A 31 -4.419 13.232 0.916 1.00 0.00 C ATOM 429 O GLU A 31 -5.506 13.401 0.364 1.00 0.00 O ATOM 430 CB GLU A 31 -2.523 14.350 -0.284 1.00 0.00 C ATOM 431 CG GLU A 31 -1.936 15.713 -0.612 1.00 0.00 C ATOM 432 CD GLU A 31 -3.011 16.758 -0.851 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.456 17.396 0.127 1.00 0.00 O ATOM 434 OE2 GLU A 31 -3.426 16.940 -2.014 1.00 0.00 O ATOM 0 H GLU A 31 -1.604 14.036 2.012 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.936 15.304 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.711 13.635 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.116 14.004 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.293 16.036 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.307 15.632 -1.498 1.00 0.00 H new ATOM 441 N LEU A 32 -4.083 12.087 1.494 1.00 0.00 N ATOM 442 CA LEU A 32 -5.028 10.985 1.574 1.00 0.00 C ATOM 443 C LEU A 32 -6.263 11.403 2.363 1.00 0.00 C ATOM 444 O LEU A 32 -7.373 11.355 1.855 1.00 0.00 O ATOM 445 CB LEU A 32 -4.388 9.748 2.212 1.00 0.00 C ATOM 446 CG LEU A 32 -3.292 9.077 1.384 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.754 7.859 2.115 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.826 8.685 0.015 1.00 0.00 C ATOM 0 H LEU A 32 -3.171 11.899 1.911 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.325 10.725 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.968 10.034 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.171 9.016 2.409 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.476 9.786 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.974 7.390 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.339 8.165 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.563 7.147 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.033 8.209 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.657 7.989 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.171 9.576 -0.510 1.00 0.00 H new ATOM 460 N LYS A 33 -6.054 11.857 3.592 1.00 0.00 N ATOM 461 CA LYS A 33 -7.154 12.278 4.461 1.00 0.00 C ATOM 462 C LYS A 33 -7.895 13.491 3.883 1.00 0.00 C ATOM 463 O LYS A 33 -9.035 13.778 4.257 1.00 0.00 O ATOM 464 CB LYS A 33 -6.604 12.603 5.856 1.00 0.00 C ATOM 465 CG LYS A 33 -7.672 12.913 6.896 1.00 0.00 C ATOM 466 CD LYS A 33 -7.052 13.181 8.260 1.00 0.00 C ATOM 467 CE LYS A 33 -8.108 13.513 9.305 1.00 0.00 C ATOM 468 NZ LYS A 33 -8.847 14.764 8.984 1.00 0.00 N ATOM 0 H LYS A 33 -5.130 11.945 4.014 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.871 11.460 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.009 11.759 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.931 13.457 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.250 13.781 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.367 12.076 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.486 12.306 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.345 14.007 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.814 12.686 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.632 13.615 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.405 15.059 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.170 15.514 8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.483 14.595 8.179 1.00 0.00 H new ATOM 482 N ARG A 34 -7.244 14.199 2.970 1.00 0.00 N ATOM 483 CA ARG A 34 -7.822 15.396 2.364 1.00 0.00 C ATOM 484 C ARG A 34 -8.474 15.100 1.010 1.00 0.00 C ATOM 485 O ARG A 34 -9.075 15.987 0.401 1.00 0.00 O ATOM 486 CB ARG A 34 -6.747 16.479 2.221 1.00 0.00 C ATOM 487 CG ARG A 34 -6.642 17.383 3.442 1.00 0.00 C ATOM 488 CD ARG A 34 -5.209 17.805 3.731 1.00 0.00 C ATOM 489 NE ARG A 34 -4.507 18.286 2.541 1.00 0.00 N ATOM 490 CZ ARG A 34 -3.929 19.480 2.439 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.052 20.378 3.410 1.00 0.00 N ATOM 492 NH2 ARG A 34 -3.236 19.774 1.352 1.00 0.00 N ATOM 0 H ARG A 34 -6.311 13.966 2.630 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.611 15.756 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.782 16.003 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.967 17.088 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.255 18.271 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.047 16.864 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.212 18.590 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.664 16.960 4.151 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.457 17.664 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.594 20.155 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.604 21.290 3.321 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.149 19.088 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.789 20.686 1.264 1.00 0.00 H new ATOM 506 N HIS A 35 -8.349 13.863 0.533 1.00 0.00 N ATOM 507 CA HIS A 35 -8.982 13.461 -0.725 1.00 0.00 C ATOM 508 C HIS A 35 -9.737 12.146 -0.556 1.00 0.00 C ATOM 509 O HIS A 35 -10.955 12.081 -0.737 1.00 0.00 O ATOM 510 CB HIS A 35 -7.950 13.314 -1.851 1.00 0.00 C ATOM 511 CG HIS A 35 -7.332 14.604 -2.295 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.909 15.431 -3.235 1.00 0.00 N ATOM 513 CD2 HIS A 35 -6.173 15.199 -1.935 1.00 0.00 C ATOM 514 CE1 HIS A 35 -7.127 16.478 -3.435 1.00 0.00 C ATOM 515 NE2 HIS A 35 -6.067 16.359 -2.656 1.00 0.00 N ATOM 0 H HIS A 35 -7.818 13.124 0.994 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.685 14.248 -0.997 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.159 12.642 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.430 12.841 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.461 14.828 -1.212 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.322 17.291 -4.118 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.295 17.023 -2.600 1.00 0.00 H new ATOM 524 N ASN A 36 -9.004 11.105 -0.199 1.00 0.00 N ATOM 525 CA ASN A 36 -9.567 9.773 -0.049 1.00 0.00 C ATOM 526 C ASN A 36 -9.964 9.521 1.397 1.00 0.00 C ATOM 527 O ASN A 36 -9.149 9.115 2.222 1.00 0.00 O ATOM 528 CB ASN A 36 -8.562 8.714 -0.506 1.00 0.00 C ATOM 529 CG ASN A 36 -9.061 7.296 -0.298 1.00 0.00 C ATOM 530 OD1 ASN A 36 -10.263 7.034 -0.300 1.00 0.00 O ATOM 531 ND2 ASN A 36 -8.134 6.369 -0.116 1.00 0.00 N ATOM 0 H ASN A 36 -8.004 11.159 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.458 9.707 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.339 8.864 -1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.628 8.848 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.407 5.397 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.147 6.627 -0.121 1.00 0.00 H new ATOM 538 N VAL A 37 -11.221 9.780 1.697 1.00 0.00 N ATOM 539 CA VAL A 37 -11.739 9.600 3.047 1.00 0.00 C ATOM 540 C VAL A 37 -12.260 8.170 3.242 1.00 0.00 C ATOM 541 O VAL A 37 -12.830 7.833 4.283 1.00 0.00 O ATOM 542 CB VAL A 37 -12.875 10.611 3.338 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.175 10.699 4.827 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.531 11.987 2.784 1.00 0.00 C ATOM 0 H VAL A 37 -11.909 10.118 1.024 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.920 9.777 3.744 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.772 10.248 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.977 11.418 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.482 9.720 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.281 11.022 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.344 12.680 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.613 12.347 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.389 11.920 1.705 1.00 0.00 H new ATOM 554 N SER A 38 -12.064 7.322 2.236 1.00 0.00 N ATOM 555 CA SER A 38 -12.556 5.953 2.300 1.00 0.00 C ATOM 556 C SER A 38 -11.410 4.938 2.420 1.00 0.00 C ATOM 557 O SER A 38 -11.005 4.583 3.531 1.00 0.00 O ATOM 558 CB SER A 38 -13.433 5.653 1.082 1.00 0.00 C ATOM 559 OG SER A 38 -14.520 6.563 1.016 1.00 0.00 O ATOM 0 H SER A 38 -11.572 7.558 1.374 1.00 0.00 H new ATOM 0 HA SER A 38 -13.161 5.855 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.837 5.722 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.809 4.632 1.140 1.00 0.00 H new ATOM 0 HG SER A 38 -15.330 6.086 0.738 1.00 0.00 H new ATOM 565 N HIS A 39 -10.876 4.484 1.288 1.00 0.00 N ATOM 566 CA HIS A 39 -9.849 3.441 1.291 1.00 0.00 C ATOM 567 C HIS A 39 -9.234 3.274 -0.095 1.00 0.00 C ATOM 568 O HIS A 39 -9.824 3.678 -1.093 1.00 0.00 O ATOM 569 CB HIS A 39 -10.442 2.102 1.759 1.00 0.00 C ATOM 570 CG HIS A 39 -11.495 1.529 0.848 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.847 1.661 1.077 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.379 0.809 -0.294 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.515 1.050 0.117 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.648 0.525 -0.727 1.00 0.00 N ATOM 0 H HIS A 39 -11.135 4.819 0.360 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.066 3.748 1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.634 1.377 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.873 2.238 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.458 0.514 -0.774 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.590 0.990 0.036 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.884 -0.006 -1.565 1.00 0.00 H new ATOM 583 N TYR A 40 -8.054 2.676 -0.156 1.00 0.00 N ATOM 584 CA TYR A 40 -7.428 2.367 -1.434 1.00 0.00 C ATOM 585 C TYR A 40 -6.836 0.966 -1.397 1.00 0.00 C ATOM 586 O TYR A 40 -6.381 0.504 -0.347 1.00 0.00 O ATOM 587 CB TYR A 40 -6.348 3.402 -1.797 1.00 0.00 C ATOM 588 CG TYR A 40 -5.136 3.401 -0.890 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.041 2.589 -1.164 1.00 0.00 C ATOM 590 CD2 TYR A 40 -5.085 4.212 0.236 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.933 2.583 -0.342 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.979 4.214 1.061 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.905 3.398 0.770 1.00 0.00 C ATOM 594 OH TYR A 40 -1.805 3.390 1.598 1.00 0.00 O ATOM 0 H TYR A 40 -7.512 2.396 0.661 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.195 2.409 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.019 3.219 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.796 4.395 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.058 1.952 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.924 4.851 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.092 1.944 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.954 4.852 1.932 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.945 4.021 2.334 1.00 0.00 H new ATOM 604 N ILE A 41 -6.865 0.288 -2.536 1.00 0.00 N ATOM 605 CA ILE A 41 -6.328 -1.061 -2.639 1.00 0.00 C ATOM 606 C ILE A 41 -5.061 -1.059 -3.483 1.00 0.00 C ATOM 607 O ILE A 41 -5.100 -0.774 -4.681 1.00 0.00 O ATOM 608 CB ILE A 41 -7.341 -2.059 -3.259 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.663 -2.077 -2.481 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.745 -3.460 -3.301 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.633 -0.982 -2.879 1.00 0.00 C ATOM 0 H ILE A 41 -7.256 0.652 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.110 -1.389 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.552 -1.726 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.144 -3.044 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.447 -1.986 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.467 -4.150 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.838 -3.452 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.502 -3.783 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.541 -1.066 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.174 -0.009 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.882 -1.083 -3.935 1.00 0.00 H new ATOM 623 N TYR A 42 -3.943 -1.362 -2.849 1.00 0.00 N ATOM 624 CA TYR A 42 -2.658 -1.411 -3.521 1.00 0.00 C ATOM 625 C TYR A 42 -2.339 -2.850 -3.915 1.00 0.00 C ATOM 626 O TYR A 42 -2.195 -3.717 -3.056 1.00 0.00 O ATOM 627 CB TYR A 42 -1.567 -0.867 -2.590 1.00 0.00 C ATOM 628 CG TYR A 42 -0.295 -0.446 -3.293 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.524 -1.373 -3.925 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.082 0.888 -3.323 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.681 -0.981 -4.568 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.238 1.289 -3.962 1.00 0.00 C ATOM 633 CZ TYR A 42 2.034 0.351 -4.585 1.00 0.00 C ATOM 634 OH TYR A 42 3.183 0.747 -5.234 1.00 0.00 O ATOM 0 H TYR A 42 -3.901 -1.581 -1.854 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.696 -0.796 -4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.966 -0.012 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.323 -1.631 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.251 -2.418 -3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.540 1.626 -2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.306 -1.714 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.518 2.332 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 42 3.548 -0.007 -5.743 1.00 0.00 H new ATOM 644 N TYR A 43 -2.257 -3.113 -5.209 1.00 0.00 N ATOM 645 CA TYR A 43 -1.913 -4.446 -5.681 1.00 0.00 C ATOM 646 C TYR A 43 -0.408 -4.585 -5.854 1.00 0.00 C ATOM 647 O TYR A 43 0.215 -3.868 -6.643 1.00 0.00 O ATOM 648 CB TYR A 43 -2.652 -4.774 -6.982 1.00 0.00 C ATOM 649 CG TYR A 43 -4.124 -5.047 -6.771 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.567 -6.316 -6.426 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.065 -4.035 -6.903 1.00 0.00 C ATOM 652 CE1 TYR A 43 -5.909 -6.574 -6.220 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.411 -4.282 -6.694 1.00 0.00 C ATOM 654 CZ TYR A 43 -6.827 -5.554 -6.353 1.00 0.00 C ATOM 655 OH TYR A 43 -8.166 -5.811 -6.139 1.00 0.00 O ATOM 0 H TYR A 43 -2.422 -2.428 -5.947 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.232 -5.166 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.538 -3.943 -7.678 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.189 -5.645 -7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.850 -7.116 -6.317 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.742 -3.040 -7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.237 -7.569 -5.956 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.132 -3.484 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.682 -4.988 -6.271 1.00 0.00 H new ATOM 665 N LEU A 44 0.167 -5.518 -5.106 1.00 0.00 N ATOM 666 CA LEU A 44 1.607 -5.711 -5.076 1.00 0.00 C ATOM 667 C LEU A 44 2.042 -6.669 -6.161 1.00 0.00 C ATOM 668 O LEU A 44 1.886 -7.879 -6.024 1.00 0.00 O ATOM 669 CB LEU A 44 2.054 -6.236 -3.719 1.00 0.00 C ATOM 670 CG LEU A 44 1.912 -5.253 -2.565 1.00 0.00 C ATOM 671 CD1 LEU A 44 2.224 -5.950 -1.264 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.838 -4.064 -2.754 1.00 0.00 C ATOM 0 H LEU A 44 -0.352 -6.159 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 44 2.076 -4.743 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.478 -7.131 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.099 -6.539 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 44 0.886 -4.887 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.122 -5.244 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.531 -6.779 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.245 -6.331 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.720 -3.374 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.871 -4.410 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.589 -3.553 -3.684 1.00 0.00 H new ATOM 684 N ALA A 45 2.597 -6.084 -7.213 1.00 0.00 N ATOM 685 CA ALA A 45 3.029 -6.778 -8.437 1.00 0.00 C ATOM 686 C ALA A 45 2.934 -5.809 -9.598 1.00 0.00 C ATOM 687 O ALA A 45 3.938 -5.354 -10.135 1.00 0.00 O ATOM 688 CB ALA A 45 2.187 -8.010 -8.758 1.00 0.00 C ATOM 0 H ALA A 45 2.769 -5.079 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 45 4.051 -7.120 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.557 -8.476 -9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.255 -8.721 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.147 -7.714 -8.897 1.00 0.00 H new ATOM 694 N THR A 46 1.707 -5.473 -9.961 1.00 0.00 N ATOM 695 CA THR A 46 1.464 -4.551 -11.052 1.00 0.00 C ATOM 696 C THR A 46 1.571 -3.114 -10.559 1.00 0.00 C ATOM 697 O THR A 46 1.646 -2.170 -11.354 1.00 0.00 O ATOM 698 CB THR A 46 0.074 -4.789 -11.668 1.00 0.00 C ATOM 699 OG1 THR A 46 -0.913 -4.866 -10.629 1.00 0.00 O ATOM 700 CG2 THR A 46 0.053 -6.070 -12.488 1.00 0.00 C ATOM 0 H THR A 46 0.862 -5.828 -9.512 1.00 0.00 H new ATOM 0 HA THR A 46 2.219 -4.724 -11.819 1.00 0.00 H new ATOM 0 HB THR A 46 -0.154 -3.952 -12.329 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.796 -5.016 -11.027 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.941 -6.214 -12.912 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.784 -5.999 -13.293 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.300 -6.916 -11.847 1.00 0.00 H new ATOM 708 N GLU A 47 1.576 -2.966 -9.233 1.00 0.00 N ATOM 709 CA GLU A 47 1.667 -1.663 -8.580 1.00 0.00 C ATOM 710 C GLU A 47 0.462 -0.811 -8.944 1.00 0.00 C ATOM 711 O GLU A 47 0.537 0.417 -8.997 1.00 0.00 O ATOM 712 CB GLU A 47 2.971 -0.955 -8.963 1.00 0.00 C ATOM 713 CG GLU A 47 4.213 -1.770 -8.639 1.00 0.00 C ATOM 714 CD GLU A 47 4.242 -2.224 -7.194 1.00 0.00 C ATOM 715 OE1 GLU A 47 4.458 -1.372 -6.310 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.049 -3.431 -6.938 1.00 0.00 O ATOM 0 H GLU A 47 1.517 -3.749 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 47 1.672 -1.813 -7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.957 -0.735 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.025 0.000 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.253 -2.642 -9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.101 -1.173 -8.848 1.00 0.00 H new ATOM 723 N ASN A 48 -0.653 -1.485 -9.184 1.00 0.00 N ATOM 724 CA ASN A 48 -1.902 -0.818 -9.514 1.00 0.00 C ATOM 725 C ASN A 48 -2.643 -0.437 -8.246 1.00 0.00 C ATOM 726 O ASN A 48 -3.154 -1.297 -7.526 1.00 0.00 O ATOM 727 CB ASN A 48 -2.791 -1.706 -10.390 1.00 0.00 C ATOM 728 CG ASN A 48 -2.397 -1.700 -11.858 1.00 0.00 C ATOM 729 OD1 ASN A 48 -1.112 -1.564 -12.142 1.00 0.00 O flip ATOM 730 ND2 ASN A 48 -3.251 -1.827 -12.734 1.00 0.00 N flip ATOM 0 H ASN A 48 -0.717 -2.503 -9.156 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.662 0.084 -10.076 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.750 -2.729 -10.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.825 -1.374 -10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.233 -1.930 -12.478 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.977 -1.830 -13.717 1.00 0.00 H new ATOM 737 N VAL A 49 -2.687 0.853 -7.970 1.00 0.00 N ATOM 738 CA VAL A 49 -3.346 1.354 -6.780 1.00 0.00 C ATOM 739 C VAL A 49 -4.770 1.772 -7.113 1.00 0.00 C ATOM 740 O VAL A 49 -4.983 2.690 -7.896 1.00 0.00 O ATOM 741 CB VAL A 49 -2.596 2.563 -6.187 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.034 2.812 -4.751 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.092 2.360 -6.269 1.00 0.00 C ATOM 0 H VAL A 49 -2.272 1.576 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.352 0.551 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.847 3.444 -6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.494 3.669 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.105 3.014 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.818 1.931 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.584 3.226 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.814 1.467 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.797 2.242 -7.312 1.00 0.00 H new ATOM 753 N HIS A 50 -5.741 1.087 -6.541 1.00 0.00 N ATOM 754 CA HIS A 50 -7.141 1.413 -6.787 1.00 0.00 C ATOM 755 C HIS A 50 -7.692 2.244 -5.637 1.00 0.00 C ATOM 756 O HIS A 50 -8.046 1.705 -4.589 1.00 0.00 O ATOM 757 CB HIS A 50 -7.978 0.138 -6.971 1.00 0.00 C ATOM 758 CG HIS A 50 -7.698 -0.612 -8.246 1.00 0.00 C ATOM 759 ND1 HIS A 50 -8.685 -0.967 -9.139 1.00 0.00 N ATOM 760 CD2 HIS A 50 -6.539 -1.086 -8.768 1.00 0.00 C ATOM 761 CE1 HIS A 50 -8.151 -1.625 -10.150 1.00 0.00 C ATOM 762 NE2 HIS A 50 -6.850 -1.710 -9.951 1.00 0.00 N ATOM 0 H HIS A 50 -5.592 0.304 -5.905 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.202 1.994 -7.707 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.796 -0.526 -6.126 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.035 0.405 -6.945 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.555 -0.990 -8.334 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.688 -2.026 -10.997 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.183 -2.165 -10.574 1.00 0.00 H new ATOM 771 N ILE A 51 -7.734 3.558 -5.824 1.00 0.00 N ATOM 772 CA ILE A 51 -8.228 4.459 -4.792 1.00 0.00 C ATOM 773 C ILE A 51 -9.726 4.674 -4.952 1.00 0.00 C ATOM 774 O ILE A 51 -10.171 5.303 -5.913 1.00 0.00 O ATOM 775 CB ILE A 51 -7.525 5.844 -4.814 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.012 5.717 -4.591 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.128 6.759 -3.758 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.239 5.317 -5.826 1.00 0.00 C ATOM 0 H ILE A 51 -7.432 4.022 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.006 3.982 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.684 6.276 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.628 6.670 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.831 4.981 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.626 7.726 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.190 6.896 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.000 6.311 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.178 5.249 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.594 4.349 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.387 6.064 -6.606 1.00 0.00 H new ATOM 790 N VAL A 52 -10.498 4.144 -4.023 1.00 0.00 N ATOM 791 CA VAL A 52 -11.933 4.333 -4.046 1.00 0.00 C ATOM 792 C VAL A 52 -12.298 5.557 -3.224 1.00 0.00 C ATOM 793 O VAL A 52 -12.305 5.512 -1.993 1.00 0.00 O ATOM 794 CB VAL A 52 -12.687 3.106 -3.495 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.188 3.272 -3.692 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.196 1.827 -4.159 1.00 0.00 C ATOM 0 H VAL A 52 -10.155 3.580 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.231 4.470 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.485 3.031 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.706 2.397 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.528 4.163 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.406 3.374 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.742 0.975 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.363 1.888 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.131 1.701 -3.964 1.00 0.00 H new ATOM 806 N LEU A 53 -12.566 6.657 -3.910 1.00 0.00 N ATOM 807 CA LEU A 53 -12.912 7.902 -3.242 1.00 0.00 C ATOM 808 C LEU A 53 -14.274 7.796 -2.567 1.00 0.00 C ATOM 809 O LEU A 53 -15.061 6.898 -2.869 1.00 0.00 O ATOM 810 CB LEU A 53 -12.921 9.061 -4.240 1.00 0.00 C ATOM 811 CG LEU A 53 -11.596 9.314 -4.961 1.00 0.00 C ATOM 812 CD1 LEU A 53 -11.738 10.463 -5.947 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.487 9.598 -3.957 1.00 0.00 C ATOM 0 H LEU A 53 -12.551 6.713 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.157 8.093 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.691 8.869 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.208 9.971 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.329 8.416 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.786 10.630 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.501 10.217 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.028 11.367 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.552 9.776 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.744 10.480 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.370 8.742 -3.292 1.00 0.00 H new ATOM 825 N LYS A 54 -14.555 8.734 -1.672 1.00 0.00 N ATOM 826 CA LYS A 54 -15.819 8.753 -0.945 1.00 0.00 C ATOM 827 C LYS A 54 -16.979 9.061 -1.894 1.00 0.00 C ATOM 828 O LYS A 54 -18.140 8.771 -1.602 1.00 0.00 O ATOM 829 CB LYS A 54 -15.742 9.783 0.184 1.00 0.00 C ATOM 830 CG LYS A 54 -16.973 9.827 1.069 1.00 0.00 C ATOM 831 CD LYS A 54 -16.725 10.658 2.313 1.00 0.00 C ATOM 832 CE LYS A 54 -17.995 10.840 3.121 1.00 0.00 C ATOM 833 NZ LYS A 54 -18.984 11.697 2.416 1.00 0.00 N ATOM 0 H LYS A 54 -13.921 9.496 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.000 7.770 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.871 9.564 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.585 10.770 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.811 10.245 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.254 8.814 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.966 10.175 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.331 11.633 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.439 9.865 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.751 11.286 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.717 12.005 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.503 12.530 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.426 11.156 1.646 1.00 0.00 H new ATOM 847 N ASN A 55 -16.636 9.625 -3.044 1.00 0.00 N ATOM 848 CA ASN A 55 -17.604 9.912 -4.100 1.00 0.00 C ATOM 849 C ASN A 55 -17.848 8.648 -4.936 1.00 0.00 C ATOM 850 O ASN A 55 -18.539 8.686 -5.954 1.00 0.00 O ATOM 851 CB ASN A 55 -17.071 11.062 -4.974 1.00 0.00 C ATOM 852 CG ASN A 55 -18.059 11.553 -6.025 1.00 0.00 C ATOM 853 OD1 ASN A 55 -18.061 11.079 -7.163 1.00 0.00 O ATOM 854 ND2 ASN A 55 -18.892 12.515 -5.660 1.00 0.00 N ATOM 0 H ASN A 55 -15.680 9.897 -3.274 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.555 10.218 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.797 11.897 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.160 10.733 -5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.565 12.888 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.861 12.883 -4.709 1.00 0.00 H new ATOM 861 N ASP A 56 -17.254 7.532 -4.488 1.00 0.00 N ATOM 862 CA ASP A 56 -17.375 6.218 -5.142 1.00 0.00 C ATOM 863 C ASP A 56 -16.485 6.132 -6.382 1.00 0.00 C ATOM 864 O ASP A 56 -16.202 5.045 -6.888 1.00 0.00 O ATOM 865 CB ASP A 56 -18.833 5.894 -5.498 1.00 0.00 C ATOM 866 CG ASP A 56 -18.987 4.547 -6.174 1.00 0.00 C ATOM 867 OD1 ASP A 56 -18.766 3.511 -5.511 1.00 0.00 O ATOM 868 OD2 ASP A 56 -19.349 4.519 -7.367 1.00 0.00 O ATOM 0 H ASP A 56 -16.669 7.515 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.034 5.471 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.436 5.911 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.223 6.672 -6.155 1.00 0.00 H new ATOM 873 N ASN A 57 -16.018 7.282 -6.846 1.00 0.00 N ATOM 874 CA ASN A 57 -15.154 7.345 -8.014 1.00 0.00 C ATOM 875 C ASN A 57 -13.824 6.661 -7.727 1.00 0.00 C ATOM 876 O ASN A 57 -12.987 7.190 -6.995 1.00 0.00 O ATOM 877 CB ASN A 57 -14.920 8.801 -8.425 1.00 0.00 C ATOM 878 CG ASN A 57 -14.152 8.935 -9.729 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.742 8.965 -10.808 1.00 0.00 O ATOM 880 ND2 ASN A 57 -12.832 9.028 -9.640 1.00 0.00 N ATOM 0 H ASN A 57 -16.225 8.189 -6.428 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.645 6.824 -8.836 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.882 9.304 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.372 9.312 -7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.270 9.128 -10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.379 8.999 -8.726 1.00 0.00 H new ATOM 887 N THR A 58 -13.641 5.484 -8.294 1.00 0.00 N ATOM 888 CA THR A 58 -12.430 4.717 -8.080 1.00 0.00 C ATOM 889 C THR A 58 -11.360 5.107 -9.096 1.00 0.00 C ATOM 890 O THR A 58 -11.536 4.925 -10.301 1.00 0.00 O ATOM 891 CB THR A 58 -12.704 3.206 -8.173 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.798 2.853 -7.314 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.471 2.406 -7.777 1.00 0.00 C ATOM 0 H THR A 58 -14.320 5.037 -8.910 1.00 0.00 H new ATOM 0 HA THR A 58 -12.071 4.944 -7.076 1.00 0.00 H new ATOM 0 HB THR A 58 -12.958 2.969 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.968 1.890 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.689 1.341 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.646 2.654 -8.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.193 2.649 -6.751 1.00 0.00 H new ATOM 901 N VAL A 59 -10.265 5.654 -8.597 1.00 0.00 N ATOM 902 CA VAL A 59 -9.147 6.043 -9.438 1.00 0.00 C ATOM 903 C VAL A 59 -8.063 4.977 -9.366 1.00 0.00 C ATOM 904 O VAL A 59 -7.448 4.777 -8.319 1.00 0.00 O ATOM 905 CB VAL A 59 -8.550 7.403 -9.006 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.534 7.897 -10.023 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.649 8.433 -8.799 1.00 0.00 C ATOM 0 H VAL A 59 -10.126 5.840 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.517 6.143 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.035 7.259 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.129 8.855 -9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.725 7.172 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.019 8.019 -10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.206 9.382 -8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.199 8.571 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.331 8.086 -8.023 1.00 0.00 H new ATOM 917 N LEU A 60 -7.851 4.271 -10.466 1.00 0.00 N ATOM 918 CA LEU A 60 -6.843 3.224 -10.502 1.00 0.00 C ATOM 919 C LEU A 60 -5.542 3.754 -11.092 1.00 0.00 C ATOM 920 O LEU A 60 -5.510 4.265 -12.213 1.00 0.00 O ATOM 921 CB LEU A 60 -7.329 1.986 -11.282 1.00 0.00 C ATOM 922 CG LEU A 60 -7.624 2.184 -12.775 1.00 0.00 C ATOM 923 CD1 LEU A 60 -7.686 0.838 -13.476 1.00 0.00 C ATOM 924 CD2 LEU A 60 -8.934 2.932 -12.982 1.00 0.00 C ATOM 0 H LEU A 60 -8.360 4.403 -11.340 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.660 2.910 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.575 1.205 -11.185 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.235 1.616 -10.802 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.817 2.780 -13.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.896 0.989 -14.535 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.730 0.325 -13.365 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.476 0.233 -13.032 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.117 3.058 -14.049 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.752 2.364 -12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.873 3.911 -12.507 1.00 0.00 H new ATOM 936 N LEU A 61 -4.479 3.654 -10.314 1.00 0.00 N ATOM 937 CA LEU A 61 -3.169 4.119 -10.733 1.00 0.00 C ATOM 938 C LEU A 61 -2.286 2.944 -11.119 1.00 0.00 C ATOM 939 O LEU A 61 -1.818 2.205 -10.251 1.00 0.00 O ATOM 940 CB LEU A 61 -2.481 4.883 -9.601 1.00 0.00 C ATOM 941 CG LEU A 61 -3.326 5.951 -8.908 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.570 6.527 -7.725 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.711 7.054 -9.880 1.00 0.00 C ATOM 0 H LEU A 61 -4.499 3.250 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.311 4.776 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.152 4.164 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.586 5.359 -10.001 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.243 5.484 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.181 7.287 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.346 5.732 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.640 6.977 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.312 7.802 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.809 7.523 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.288 6.630 -10.702 1.00 0.00 H new ATOM 955 N LYS A 62 -2.074 2.754 -12.410 1.00 0.00 N ATOM 956 CA LYS A 62 -1.107 1.772 -12.865 1.00 0.00 C ATOM 957 C LYS A 62 0.300 2.337 -12.700 1.00 0.00 C ATOM 958 O LYS A 62 0.785 3.096 -13.538 1.00 0.00 O ATOM 959 CB LYS A 62 -1.387 1.340 -14.314 1.00 0.00 C ATOM 960 CG LYS A 62 -1.656 2.485 -15.281 1.00 0.00 C ATOM 961 CD LYS A 62 -2.086 1.958 -16.644 1.00 0.00 C ATOM 962 CE LYS A 62 -2.413 3.089 -17.605 1.00 0.00 C ATOM 963 NZ LYS A 62 -2.887 2.583 -18.922 1.00 0.00 N ATOM 0 H LYS A 62 -2.553 3.261 -13.154 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.194 0.873 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.534 0.768 -14.679 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.246 0.670 -14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.433 3.133 -14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.758 3.093 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.291 1.342 -17.064 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.959 1.316 -16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.179 3.728 -17.165 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.527 3.707 -17.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.099 3.387 -19.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.147 1.994 -19.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.747 2.014 -18.786 1.00 0.00 H new ATOM 1039 N ILE A 67 5.717 -6.022 -11.978 1.00 0.00 N ATOM 1040 CA ILE A 67 6.894 -6.412 -11.219 1.00 0.00 C ATOM 1041 C ILE A 67 6.563 -7.634 -10.371 1.00 0.00 C ATOM 1042 O ILE A 67 6.081 -7.511 -9.244 1.00 0.00 O ATOM 1043 CB ILE A 67 7.390 -5.273 -10.296 1.00 0.00 C ATOM 1044 CG1 ILE A 67 7.642 -3.987 -11.093 1.00 0.00 C ATOM 1045 CG2 ILE A 67 8.652 -5.700 -9.553 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.699 -4.130 -12.169 1.00 0.00 C ATOM 0 HA ILE A 67 7.689 -6.640 -11.929 1.00 0.00 H new ATOM 0 HB ILE A 67 6.609 -5.067 -9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.708 -3.668 -11.555 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.943 -3.197 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.987 -4.887 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.437 -6.579 -8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.435 -5.939 -10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.820 -3.179 -12.688 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.646 -4.418 -11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.392 -4.896 -12.881 1.00 0.00 H new ATOM 1058 N VAL A 68 6.787 -8.814 -10.923 1.00 0.00 N ATOM 1059 CA VAL A 68 6.432 -10.041 -10.232 1.00 0.00 C ATOM 1060 C VAL A 68 7.517 -10.467 -9.241 1.00 0.00 C ATOM 1061 O VAL A 68 8.480 -11.158 -9.582 1.00 0.00 O ATOM 1062 CB VAL A 68 6.106 -11.187 -11.220 1.00 0.00 C ATOM 1063 CG1 VAL A 68 7.241 -11.421 -12.204 1.00 0.00 C ATOM 1064 CG2 VAL A 68 5.770 -12.465 -10.465 1.00 0.00 C ATOM 0 H VAL A 68 7.210 -8.948 -11.841 1.00 0.00 H new ATOM 0 HA VAL A 68 5.526 -9.829 -9.664 1.00 0.00 H new ATOM 0 HB VAL A 68 5.232 -10.886 -11.798 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.974 -12.233 -12.881 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.417 -10.512 -12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.147 -11.686 -11.658 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.544 -13.259 -11.177 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.621 -12.759 -9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.904 -12.293 -9.826 1.00 0.00 H new ATOM 1074 N SER A 69 7.372 -10.002 -8.014 1.00 0.00 N ATOM 1075 CA SER A 69 8.224 -10.439 -6.922 1.00 0.00 C ATOM 1076 C SER A 69 7.401 -11.260 -5.938 1.00 0.00 C ATOM 1077 O SER A 69 7.866 -11.619 -4.855 1.00 0.00 O ATOM 1078 CB SER A 69 8.848 -9.229 -6.225 1.00 0.00 C ATOM 1079 OG SER A 69 7.846 -8.308 -5.821 1.00 0.00 O ATOM 0 H SER A 69 6.666 -9.316 -7.747 1.00 0.00 H new ATOM 0 HA SER A 69 9.030 -11.059 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.418 -9.558 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.550 -8.737 -6.899 1.00 0.00 H new ATOM 0 HG SER A 69 8.002 -7.444 -6.256 1.00 0.00 H new ATOM 1085 N VAL A 70 6.169 -11.553 -6.343 1.00 0.00 N ATOM 1086 CA VAL A 70 5.219 -12.267 -5.504 1.00 0.00 C ATOM 1087 C VAL A 70 5.426 -13.767 -5.626 1.00 0.00 C ATOM 1088 O VAL A 70 5.601 -14.293 -6.728 1.00 0.00 O ATOM 1089 CB VAL A 70 3.764 -11.923 -5.893 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.781 -12.493 -4.882 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.593 -10.420 -6.022 1.00 0.00 C ATOM 0 H VAL A 70 5.804 -11.301 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 70 5.392 -11.956 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 70 3.551 -12.379 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.764 -12.237 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.886 -13.577 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.988 -12.074 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.563 -10.193 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.828 -9.944 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.265 -10.042 -6.792 1.00 0.00 H new ATOM 1101 N LYS A 71 5.413 -14.450 -4.495 1.00 0.00 N ATOM 1102 CA LYS A 71 5.600 -15.889 -4.479 1.00 0.00 C ATOM 1103 C LYS A 71 4.345 -16.575 -3.969 1.00 0.00 C ATOM 1104 O LYS A 71 3.520 -15.956 -3.296 1.00 0.00 O ATOM 1105 CB LYS A 71 6.795 -16.266 -3.605 1.00 0.00 C ATOM 1106 CG LYS A 71 8.082 -15.572 -4.013 1.00 0.00 C ATOM 1107 CD LYS A 71 9.287 -16.169 -3.310 1.00 0.00 C ATOM 1108 CE LYS A 71 9.466 -17.634 -3.669 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.644 -17.837 -5.135 1.00 0.00 N ATOM 0 H LYS A 71 5.275 -14.031 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 71 5.797 -16.222 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.570 -16.018 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.943 -17.345 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.213 -15.653 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.013 -14.510 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.183 -15.613 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.168 -16.069 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.332 -18.032 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.598 -18.198 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.979 -18.805 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.735 -17.690 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.343 -17.157 -5.497 1.00 0.00 H new ATOM 1123 N PHE A 72 4.197 -17.850 -4.305 1.00 0.00 N ATOM 1124 CA PHE A 72 3.067 -18.632 -3.829 1.00 0.00 C ATOM 1125 C PHE A 72 3.287 -19.042 -2.379 1.00 0.00 C ATOM 1126 O PHE A 72 3.761 -20.141 -2.089 1.00 0.00 O ATOM 1127 CB PHE A 72 2.844 -19.865 -4.710 1.00 0.00 C ATOM 1128 CG PHE A 72 2.377 -19.530 -6.100 1.00 0.00 C ATOM 1129 CD1 PHE A 72 1.026 -19.413 -6.378 1.00 0.00 C ATOM 1130 CD2 PHE A 72 3.287 -19.332 -7.126 1.00 0.00 C ATOM 1131 CE1 PHE A 72 0.590 -19.103 -7.651 1.00 0.00 C ATOM 1132 CE2 PHE A 72 2.857 -19.022 -8.403 1.00 0.00 C ATOM 1133 CZ PHE A 72 1.506 -18.908 -8.665 1.00 0.00 C ATOM 0 H PHE A 72 4.844 -18.362 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 72 2.172 -18.013 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.774 -20.430 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.109 -20.514 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.304 -19.566 -5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.345 -19.421 -6.926 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.467 -19.013 -7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.576 -18.869 -9.194 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.167 -18.667 -9.662 1.00 0.00 H new ATOM 1143 N SER A 73 2.983 -18.123 -1.477 1.00 0.00 N ATOM 1144 CA SER A 73 3.146 -18.343 -0.051 1.00 0.00 C ATOM 1145 C SER A 73 2.202 -17.427 0.722 1.00 0.00 C ATOM 1146 O SER A 73 1.624 -16.503 0.148 1.00 0.00 O ATOM 1147 CB SER A 73 4.602 -18.070 0.361 1.00 0.00 C ATOM 1148 OG SER A 73 5.497 -18.939 -0.321 1.00 0.00 O ATOM 0 H SER A 73 2.615 -17.202 -1.715 1.00 0.00 H new ATOM 0 HA SER A 73 2.905 -19.380 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.858 -17.034 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.710 -18.203 1.437 1.00 0.00 H new ATOM 0 HG SER A 73 4.988 -19.548 -0.896 1.00 0.00 H new ATOM 1154 N LYS A 74 2.026 -17.699 2.005 1.00 0.00 N ATOM 1155 CA LYS A 74 1.257 -16.824 2.873 1.00 0.00 C ATOM 1156 C LYS A 74 1.855 -16.839 4.278 1.00 0.00 C ATOM 1157 O LYS A 74 1.470 -17.639 5.136 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.229 -17.221 2.891 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.490 -18.668 3.281 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.967 -18.912 3.531 1.00 0.00 C ATOM 1161 CE LYS A 74 -2.203 -20.281 4.146 1.00 0.00 C ATOM 1162 NZ LYS A 74 -3.626 -20.483 4.517 1.00 0.00 N ATOM 0 H LYS A 74 2.408 -18.523 2.469 1.00 0.00 H new ATOM 0 HA LYS A 74 1.310 -15.808 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.758 -16.569 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.652 -17.042 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.138 -19.330 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.079 -18.914 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.358 -18.141 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.515 -18.833 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.899 -21.054 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.577 -20.394 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.745 -21.429 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.910 -19.761 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.221 -20.401 3.668 1.00 0.00 H new ATOM 1176 N ASP A 75 2.827 -15.974 4.494 1.00 0.00 N ATOM 1177 CA ASP A 75 3.571 -15.969 5.744 1.00 0.00 C ATOM 1178 C ASP A 75 3.406 -14.639 6.469 1.00 0.00 C ATOM 1179 O ASP A 75 3.785 -13.589 5.954 1.00 0.00 O ATOM 1180 CB ASP A 75 5.053 -16.240 5.468 1.00 0.00 C ATOM 1181 CG ASP A 75 5.853 -16.441 6.734 1.00 0.00 C ATOM 1182 OD1 ASP A 75 6.230 -15.446 7.372 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.115 -17.606 7.097 1.00 0.00 O ATOM 0 H ASP A 75 3.122 -15.265 3.822 1.00 0.00 H new ATOM 0 HA ASP A 75 3.175 -16.757 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.146 -17.126 4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.473 -15.405 4.906 1.00 0.00 H new ATOM 1188 N ARG A 76 2.842 -14.690 7.672 1.00 0.00 N ATOM 1189 CA ARG A 76 2.609 -13.482 8.455 1.00 0.00 C ATOM 1190 C ARG A 76 3.898 -13.022 9.124 1.00 0.00 C ATOM 1191 O ARG A 76 4.083 -11.835 9.385 1.00 0.00 O ATOM 1192 CB ARG A 76 1.551 -13.728 9.527 1.00 0.00 C ATOM 1193 CG ARG A 76 0.995 -12.452 10.136 1.00 0.00 C ATOM 1194 CD ARG A 76 0.534 -12.672 11.569 1.00 0.00 C ATOM 1195 NE ARG A 76 1.666 -12.811 12.487 1.00 0.00 N ATOM 1196 CZ ARG A 76 1.866 -13.861 13.281 1.00 0.00 C ATOM 1197 NH1 ARG A 76 0.988 -14.858 13.308 1.00 0.00 N ATOM 1198 NH2 ARG A 76 2.936 -13.899 14.062 1.00 0.00 N ATOM 0 H ARG A 76 2.539 -15.552 8.124 1.00 0.00 H new ATOM 0 HA ARG A 76 2.257 -12.707 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.732 -14.300 9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.983 -14.340 10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.759 -11.674 10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.159 -12.095 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.089 -11.835 11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.086 -13.567 11.618 1.00 0.00 H new ATOM 0 HE ARG A 76 2.347 -12.053 12.521 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.156 -14.821 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.146 -15.660 13.918 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.602 -13.126 14.053 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.094 -14.701 14.672 1.00 0.00 H new ATOM 1212 N HIS A 77 4.789 -13.968 9.390 1.00 0.00 N ATOM 1213 CA HIS A 77 6.023 -13.680 10.114 1.00 0.00 C ATOM 1214 C HIS A 77 6.936 -12.779 9.287 1.00 0.00 C ATOM 1215 O HIS A 77 7.595 -11.892 9.828 1.00 0.00 O ATOM 1216 CB HIS A 77 6.736 -14.985 10.484 1.00 0.00 C ATOM 1217 CG HIS A 77 8.022 -14.798 11.234 1.00 0.00 C ATOM 1218 ND1 HIS A 77 8.076 -14.477 12.572 1.00 0.00 N ATOM 1219 CD2 HIS A 77 9.309 -14.901 10.824 1.00 0.00 C ATOM 1220 CE1 HIS A 77 9.335 -14.390 12.954 1.00 0.00 C ATOM 1221 NE2 HIS A 77 10.103 -14.644 11.914 1.00 0.00 N ATOM 0 H HIS A 77 4.681 -14.944 9.115 1.00 0.00 H new ATOM 0 HA HIS A 77 5.771 -13.151 11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.063 -15.594 11.088 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.940 -15.545 9.571 1.00 0.00 H new ATOM 0 HD2 HIS A 77 9.647 -15.140 9.827 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.678 -14.151 13.950 1.00 0.00 H new ATOM 0 HE2 HIS A 77 11.123 -14.649 11.918 1.00 0.00 H new ATOM 1230 N LEU A 78 6.979 -13.013 7.983 1.00 0.00 N ATOM 1231 CA LEU A 78 7.752 -12.173 7.084 1.00 0.00 C ATOM 1232 C LEU A 78 7.185 -10.761 7.070 1.00 0.00 C ATOM 1233 O LEU A 78 7.936 -9.790 7.126 1.00 0.00 O ATOM 1234 CB LEU A 78 7.771 -12.756 5.670 1.00 0.00 C ATOM 1235 CG LEU A 78 8.656 -12.007 4.667 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.087 -11.909 5.179 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.626 -12.701 3.318 1.00 0.00 C ATOM 0 H LEU A 78 6.486 -13.780 7.525 1.00 0.00 H new ATOM 0 HA LEU A 78 8.779 -12.137 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.108 -13.791 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.750 -12.773 5.288 1.00 0.00 H new ATOM 0 HG LEU A 78 8.263 -10.997 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.698 -11.374 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.098 -11.372 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.491 -12.911 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.259 -12.158 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.995 -13.721 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.603 -12.723 2.943 1.00 0.00 H new ATOM 1249 N ILE A 79 5.861 -10.656 7.015 1.00 0.00 N ATOM 1250 CA ILE A 79 5.191 -9.361 7.098 1.00 0.00 C ATOM 1251 C ILE A 79 5.566 -8.671 8.403 1.00 0.00 C ATOM 1252 O ILE A 79 6.009 -7.525 8.413 1.00 0.00 O ATOM 1253 CB ILE A 79 3.656 -9.511 7.045 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.236 -10.308 5.811 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.991 -8.139 7.043 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.757 -10.628 5.776 1.00 0.00 C ATOM 0 H ILE A 79 5.230 -11.451 6.913 1.00 0.00 H new ATOM 0 HA ILE A 79 5.515 -8.768 6.243 1.00 0.00 H new ATOM 0 HB ILE A 79 3.331 -10.055 7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.499 -9.744 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.802 -11.239 5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.908 -8.259 7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.265 -7.601 7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.324 -7.575 6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.529 -11.195 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.492 -11.219 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.184 -9.701 5.777 1.00 0.00 H new ATOM 1268 N GLU A 80 5.409 -9.412 9.496 1.00 0.00 N ATOM 1269 CA GLU A 80 5.738 -8.939 10.837 1.00 0.00 C ATOM 1270 C GLU A 80 7.175 -8.421 10.891 1.00 0.00 C ATOM 1271 O GLU A 80 7.452 -7.357 11.451 1.00 0.00 O ATOM 1272 CB GLU A 80 5.548 -10.095 11.824 1.00 0.00 C ATOM 1273 CG GLU A 80 5.576 -9.694 13.287 1.00 0.00 C ATOM 1274 CD GLU A 80 5.427 -10.892 14.204 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.415 -11.616 14.091 1.00 0.00 O ATOM 1276 OE2 GLU A 80 6.337 -11.133 15.026 1.00 0.00 O ATOM 0 H GLU A 80 5.047 -10.365 9.476 1.00 0.00 H new ATOM 0 HA GLU A 80 5.079 -8.113 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.595 -10.581 11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.329 -10.835 11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.514 -9.184 13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.773 -8.984 13.484 1.00 0.00 H new ATOM 1283 N THR A 81 8.082 -9.173 10.282 1.00 0.00 N ATOM 1284 CA THR A 81 9.487 -8.801 10.241 1.00 0.00 C ATOM 1285 C THR A 81 9.702 -7.582 9.339 1.00 0.00 C ATOM 1286 O THR A 81 10.519 -6.714 9.641 1.00 0.00 O ATOM 1287 CB THR A 81 10.352 -9.977 9.740 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.073 -11.149 10.517 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.836 -9.650 9.839 1.00 0.00 C ATOM 0 H THR A 81 7.866 -10.050 9.807 1.00 0.00 H new ATOM 0 HA THR A 81 9.791 -8.547 11.256 1.00 0.00 H new ATOM 0 HB THR A 81 10.105 -10.156 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.235 -11.554 10.209 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.420 -10.497 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.057 -8.773 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.095 -9.446 10.878 1.00 0.00 H new ATOM 1297 N THR A 82 8.951 -7.514 8.247 1.00 0.00 N ATOM 1298 CA THR A 82 9.062 -6.408 7.308 1.00 0.00 C ATOM 1299 C THR A 82 8.569 -5.104 7.942 1.00 0.00 C ATOM 1300 O THR A 82 9.157 -4.043 7.731 1.00 0.00 O ATOM 1301 CB THR A 82 8.269 -6.697 6.014 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.716 -7.931 5.438 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.451 -5.585 4.997 1.00 0.00 C ATOM 0 H THR A 82 8.256 -8.215 7.990 1.00 0.00 H new ATOM 0 HA THR A 82 10.116 -6.297 7.052 1.00 0.00 H new ATOM 0 HB THR A 82 7.213 -6.763 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.431 -8.678 6.004 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.881 -5.818 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.096 -4.645 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.507 -5.493 4.743 1.00 0.00 H new ATOM 1311 N SER A 83 7.501 -5.191 8.728 1.00 0.00 N ATOM 1312 CA SER A 83 6.985 -4.034 9.445 1.00 0.00 C ATOM 1313 C SER A 83 8.048 -3.471 10.383 1.00 0.00 C ATOM 1314 O SER A 83 8.284 -2.263 10.422 1.00 0.00 O ATOM 1315 CB SER A 83 5.732 -4.418 10.235 1.00 0.00 C ATOM 1316 OG SER A 83 4.750 -4.985 9.385 1.00 0.00 O ATOM 0 H SER A 83 6.977 -6.052 8.884 1.00 0.00 H new ATOM 0 HA SER A 83 6.721 -3.265 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.995 -5.129 11.018 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.325 -3.536 10.729 1.00 0.00 H new ATOM 0 HG SER A 83 5.036 -5.880 9.106 1.00 0.00 H new ATOM 1322 N ASN A 84 8.712 -4.357 11.121 1.00 0.00 N ATOM 1323 CA ASN A 84 9.779 -3.939 12.026 1.00 0.00 C ATOM 1324 C ASN A 84 11.005 -3.490 11.233 1.00 0.00 C ATOM 1325 O ASN A 84 11.764 -2.638 11.676 1.00 0.00 O ATOM 1326 CB ASN A 84 10.164 -5.071 12.983 1.00 0.00 C ATOM 1327 CG ASN A 84 11.126 -4.610 14.064 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.051 -3.474 14.538 1.00 0.00 O ATOM 1329 ND2 ASN A 84 12.036 -5.487 14.463 1.00 0.00 N ATOM 0 H ASN A 84 8.532 -5.361 11.111 1.00 0.00 H new ATOM 0 HA ASN A 84 9.408 -3.100 12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.264 -5.472 13.448 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.620 -5.883 12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.707 -5.232 15.187 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.065 -6.417 14.046 1.00 0.00 H new ATOM 1336 N LYS A 85 11.182 -4.061 10.049 1.00 0.00 N ATOM 1337 CA LYS A 85 12.292 -3.692 9.175 1.00 0.00 C ATOM 1338 C LYS A 85 12.159 -2.234 8.742 1.00 0.00 C ATOM 1339 O LYS A 85 13.140 -1.487 8.723 1.00 0.00 O ATOM 1340 CB LYS A 85 12.332 -4.616 7.956 1.00 0.00 C ATOM 1341 CG LYS A 85 13.568 -4.447 7.087 1.00 0.00 C ATOM 1342 CD LYS A 85 13.606 -5.476 5.965 1.00 0.00 C ATOM 1343 CE LYS A 85 13.625 -6.899 6.507 1.00 0.00 C ATOM 1344 NZ LYS A 85 13.702 -7.912 5.421 1.00 0.00 N ATOM 0 H LYS A 85 10.570 -4.784 9.669 1.00 0.00 H new ATOM 0 HA LYS A 85 13.227 -3.804 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.279 -5.650 8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.446 -4.435 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.581 -3.443 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.463 -4.544 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.737 -5.344 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.489 -5.310 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.477 -7.020 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.727 -7.072 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.576 -8.863 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.953 -7.730 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.631 -7.853 4.956 1.00 0.00 H new ATOM 1358 N LEU A 86 10.936 -1.836 8.404 1.00 0.00 N ATOM 1359 CA LEU A 86 10.642 -0.445 8.068 1.00 0.00 C ATOM 1360 C LEU A 86 10.769 0.430 9.313 1.00 0.00 C ATOM 1361 O LEU A 86 11.231 1.567 9.247 1.00 0.00 O ATOM 1362 CB LEU A 86 9.228 -0.329 7.485 1.00 0.00 C ATOM 1363 CG LEU A 86 8.802 1.080 7.059 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.572 1.522 5.823 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.305 1.129 6.798 1.00 0.00 C ATOM 0 H LEU A 86 10.130 -2.459 8.355 1.00 0.00 H new ATOM 0 HA LEU A 86 11.358 -0.104 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.156 -0.988 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.518 -0.696 8.226 1.00 0.00 H new ATOM 0 HG LEU A 86 9.033 1.768 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.255 2.525 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.640 1.527 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.373 0.831 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.021 2.137 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.051 0.428 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.768 0.857 7.707 1.00 0.00 H new ATOM 1377 N LYS A 87 10.368 -0.129 10.446 1.00 0.00 N ATOM 1378 CA LYS A 87 10.449 0.554 11.731 1.00 0.00 C ATOM 1379 C LYS A 87 11.899 0.871 12.105 1.00 0.00 C ATOM 1380 O LYS A 87 12.238 2.016 12.412 1.00 0.00 O ATOM 1381 CB LYS A 87 9.807 -0.334 12.804 1.00 0.00 C ATOM 1382 CG LYS A 87 10.017 0.139 14.232 1.00 0.00 C ATOM 1383 CD LYS A 87 9.157 1.343 14.570 1.00 0.00 C ATOM 1384 CE LYS A 87 9.329 1.737 16.026 1.00 0.00 C ATOM 1385 NZ LYS A 87 8.991 0.619 16.950 1.00 0.00 N ATOM 0 H LYS A 87 9.977 -1.069 10.501 1.00 0.00 H new ATOM 0 HA LYS A 87 9.915 1.502 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.736 -0.396 12.611 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.208 -1.343 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.786 -0.674 14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.067 0.392 14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.428 2.181 13.927 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.110 1.115 14.372 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.359 2.050 16.198 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.694 2.595 16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.824 0.996 17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.133 0.137 16.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.780 -0.058 16.979 1.00 0.00 H new ATOM 1399 N SER A 88 12.746 -0.147 12.076 1.00 0.00 N ATOM 1400 CA SER A 88 14.123 -0.012 12.523 1.00 0.00 C ATOM 1401 C SER A 88 15.033 0.568 11.438 1.00 0.00 C ATOM 1402 O SER A 88 15.696 1.580 11.655 1.00 0.00 O ATOM 1403 CB SER A 88 14.655 -1.372 12.976 1.00 0.00 C ATOM 1404 OG SER A 88 13.839 -1.919 14.000 1.00 0.00 O ATOM 0 H SER A 88 12.501 -1.080 11.746 1.00 0.00 H new ATOM 0 HA SER A 88 14.128 0.688 13.359 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.688 -2.055 12.127 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.677 -1.265 13.338 1.00 0.00 H new ATOM 0 HG SER A 88 13.017 -2.280 13.606 1.00 0.00 H new ATOM 1410 N ARG A 89 15.057 -0.064 10.272 1.00 0.00 N ATOM 1411 CA ARG A 89 16.027 0.286 9.239 1.00 0.00 C ATOM 1412 C ARG A 89 15.450 1.278 8.232 1.00 0.00 C ATOM 1413 O ARG A 89 16.201 1.986 7.559 1.00 0.00 O ATOM 1414 CB ARG A 89 16.512 -0.981 8.528 1.00 0.00 C ATOM 1415 CG ARG A 89 17.561 -0.726 7.457 1.00 0.00 C ATOM 1416 CD ARG A 89 18.183 -2.025 6.986 1.00 0.00 C ATOM 1417 NE ARG A 89 18.906 -2.689 8.064 1.00 0.00 N ATOM 1418 CZ ARG A 89 19.120 -4.001 8.135 1.00 0.00 C ATOM 1419 NH1 ARG A 89 18.669 -4.815 7.187 1.00 0.00 N ATOM 1420 NH2 ARG A 89 19.795 -4.494 9.164 1.00 0.00 N ATOM 0 H ARG A 89 14.420 -0.818 10.017 1.00 0.00 H new ATOM 0 HA ARG A 89 16.873 0.772 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.923 -1.666 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.656 -1.480 8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.105 -0.210 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.336 -0.069 7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.404 -2.687 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 89 18.863 -1.825 6.158 1.00 0.00 H new ATOM 0 HE ARG A 89 19.274 -2.107 8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.152 -4.437 6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.840 -5.818 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.144 -3.870 9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.965 -5.498 9.229 1.00 0.00 H new ATOM 1434 N GLU A 90 14.123 1.310 8.130 1.00 0.00 N ATOM 1435 CA GLU A 90 13.405 2.222 7.227 1.00 0.00 C ATOM 1436 C GLU A 90 13.521 1.798 5.763 1.00 0.00 C ATOM 1437 O GLU A 90 12.538 1.881 5.027 1.00 0.00 O ATOM 1438 CB GLU A 90 13.869 3.676 7.395 1.00 0.00 C ATOM 1439 CG GLU A 90 13.554 4.266 8.759 1.00 0.00 C ATOM 1440 CD GLU A 90 13.902 5.736 8.840 1.00 0.00 C ATOM 1441 OE1 GLU A 90 15.064 6.062 9.157 1.00 0.00 O ATOM 1442 OE2 GLU A 90 13.015 6.578 8.576 1.00 0.00 O ATOM 0 H GLU A 90 13.508 0.703 8.672 1.00 0.00 H new ATOM 0 HA GLU A 90 12.354 2.162 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.945 3.726 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 90 13.398 4.289 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.494 4.133 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.106 3.721 9.525 1.00 0.00 H new ATOM 1449 N ILE A 91 14.720 1.357 5.354 1.00 0.00 N ATOM 1450 CA ILE A 91 14.993 0.897 3.978 1.00 0.00 C ATOM 1451 C ILE A 91 14.361 1.832 2.939 1.00 0.00 C ATOM 1452 O ILE A 91 14.295 3.047 3.148 1.00 0.00 O ATOM 1453 CB ILE A 91 14.545 -0.581 3.745 1.00 0.00 C ATOM 1454 CG1 ILE A 91 13.039 -0.774 3.980 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.344 -1.518 4.641 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.555 -2.191 3.756 1.00 0.00 C ATOM 0 H ILE A 91 15.533 1.308 5.968 1.00 0.00 H new ATOM 0 HA ILE A 91 16.075 0.928 3.849 1.00 0.00 H new ATOM 0 HB ILE A 91 14.743 -0.822 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.801 -0.477 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.490 -0.105 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.024 -2.546 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.405 -1.426 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.176 -1.254 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.482 -2.243 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.759 -2.487 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.075 -2.865 4.437 1.00 0.00 H new ATOM 1468 N THR A 92 13.963 1.288 1.805 1.00 0.00 N ATOM 1469 CA THR A 92 13.201 2.038 0.830 1.00 0.00 C ATOM 1470 C THR A 92 11.849 1.357 0.612 1.00 0.00 C ATOM 1471 O THR A 92 11.732 0.137 0.764 1.00 0.00 O ATOM 1472 CB THR A 92 13.976 2.162 -0.501 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.269 2.737 -0.251 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.226 3.024 -1.508 1.00 0.00 C ATOM 0 H THR A 92 14.157 0.323 1.537 1.00 0.00 H new ATOM 0 HA THR A 92 13.036 3.047 1.207 1.00 0.00 H new ATOM 0 HB THR A 92 14.082 1.163 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.761 2.814 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.801 3.088 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.254 2.577 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.085 4.024 -1.098 1.00 0.00 H new ATOM 1482 N PHE A 93 10.832 2.147 0.273 1.00 0.00 N ATOM 1483 CA PHE A 93 9.470 1.640 0.105 1.00 0.00 C ATOM 1484 C PHE A 93 9.418 0.538 -0.951 1.00 0.00 C ATOM 1485 O PHE A 93 8.509 -0.293 -0.950 1.00 0.00 O ATOM 1486 CB PHE A 93 8.535 2.791 -0.278 1.00 0.00 C ATOM 1487 CG PHE A 93 7.072 2.486 -0.112 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.589 1.960 1.077 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.178 2.746 -1.135 1.00 0.00 C ATOM 1490 CE1 PHE A 93 5.243 1.700 1.239 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.830 2.485 -0.980 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.363 1.963 0.208 1.00 0.00 C ATOM 0 H PHE A 93 10.926 3.149 0.108 1.00 0.00 H new ATOM 0 HA PHE A 93 9.142 1.209 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.783 3.662 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.721 3.063 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.274 1.751 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.538 3.158 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.879 1.292 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.143 2.689 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.310 1.760 0.332 1.00 0.00 H new ATOM 1502 N GLN A 94 10.402 0.535 -1.844 1.00 0.00 N ATOM 1503 CA GLN A 94 10.496 -0.478 -2.885 1.00 0.00 C ATOM 1504 C GLN A 94 10.678 -1.862 -2.270 1.00 0.00 C ATOM 1505 O GLN A 94 9.885 -2.773 -2.524 1.00 0.00 O ATOM 1506 CB GLN A 94 11.661 -0.169 -3.832 1.00 0.00 C ATOM 1507 CG GLN A 94 11.582 1.197 -4.502 1.00 0.00 C ATOM 1508 CD GLN A 94 10.402 1.337 -5.449 1.00 0.00 C ATOM 1509 OE1 GLN A 94 9.335 0.758 -5.235 1.00 0.00 O ATOM 1510 NE2 GLN A 94 10.587 2.106 -6.507 1.00 0.00 N ATOM 0 H GLN A 94 11.150 1.228 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 94 9.567 -0.467 -3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.594 -0.232 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.699 -0.937 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.515 1.967 -3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.505 1.377 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.484 2.569 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.832 2.237 -7.181 1.00 0.00 H new ATOM 1519 N GLU A 95 11.712 -2.009 -1.440 1.00 0.00 N ATOM 1520 CA GLU A 95 12.000 -3.284 -0.789 1.00 0.00 C ATOM 1521 C GLU A 95 10.862 -3.683 0.140 1.00 0.00 C ATOM 1522 O GLU A 95 10.526 -4.862 0.245 1.00 0.00 O ATOM 1523 CB GLU A 95 13.302 -3.226 0.016 1.00 0.00 C ATOM 1524 CG GLU A 95 14.513 -2.764 -0.776 1.00 0.00 C ATOM 1525 CD GLU A 95 14.608 -1.256 -0.863 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.100 -0.634 0.100 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.187 -0.684 -1.892 1.00 0.00 O ATOM 0 H GLU A 95 12.363 -1.260 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 95 12.109 -4.027 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.161 -2.555 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.507 -4.216 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.418 -3.156 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.465 -3.180 -1.782 1.00 0.00 H new ATOM 1534 N TYR A 96 10.271 -2.692 0.802 1.00 0.00 N ATOM 1535 CA TYR A 96 9.171 -2.934 1.730 1.00 0.00 C ATOM 1536 C TYR A 96 8.027 -3.670 1.035 1.00 0.00 C ATOM 1537 O TYR A 96 7.530 -4.680 1.535 1.00 0.00 O ATOM 1538 CB TYR A 96 8.672 -1.608 2.321 1.00 0.00 C ATOM 1539 CG TYR A 96 7.615 -1.771 3.391 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.950 -2.242 4.651 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.285 -1.453 3.143 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.991 -2.394 5.635 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.322 -1.599 4.123 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.680 -2.069 5.366 1.00 0.00 C ATOM 1545 OH TYR A 96 4.724 -2.216 6.345 1.00 0.00 O ATOM 0 H TYR A 96 10.537 -1.711 0.712 1.00 0.00 H new ATOM 0 HA TYR A 96 9.539 -3.563 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.520 -1.067 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.269 -0.992 1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.978 -2.494 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.000 -1.086 2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.269 -2.766 6.610 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.293 -1.345 3.915 1.00 0.00 H new ATOM 0 HH TYR A 96 3.839 -2.283 5.930 1.00 0.00 H new ATOM 1555 N ARG A 97 7.639 -3.187 -0.139 1.00 0.00 N ATOM 1556 CA ARG A 97 6.533 -3.789 -0.874 1.00 0.00 C ATOM 1557 C ARG A 97 6.962 -5.102 -1.524 1.00 0.00 C ATOM 1558 O ARG A 97 6.132 -5.952 -1.838 1.00 0.00 O ATOM 1559 CB ARG A 97 6.003 -2.830 -1.943 1.00 0.00 C ATOM 1560 CG ARG A 97 5.611 -1.469 -1.401 1.00 0.00 C ATOM 1561 CD ARG A 97 4.806 -0.668 -2.417 1.00 0.00 C ATOM 1562 NE ARG A 97 5.340 -0.767 -3.777 1.00 0.00 N ATOM 1563 CZ ARG A 97 6.457 -0.177 -4.206 1.00 0.00 C ATOM 1564 NH1 ARG A 97 7.223 0.508 -3.372 1.00 0.00 N ATOM 1565 NH2 ARG A 97 6.802 -0.283 -5.477 1.00 0.00 N ATOM 0 H ARG A 97 8.070 -2.386 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 97 5.735 -3.995 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.765 -2.699 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.137 -3.282 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.025 -1.595 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.508 -0.914 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.774 -1.018 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.789 0.379 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 97 4.818 -1.330 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.962 0.589 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.075 0.955 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.216 -0.813 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.654 0.165 -5.813 1.00 0.00 H new ATOM 1579 N ARG A 98 8.261 -5.262 -1.727 1.00 0.00 N ATOM 1580 CA ARG A 98 8.788 -6.480 -2.326 1.00 0.00 C ATOM 1581 C ARG A 98 8.888 -7.598 -1.293 1.00 0.00 C ATOM 1582 O ARG A 98 8.667 -8.763 -1.614 1.00 0.00 O ATOM 1583 CB ARG A 98 10.148 -6.223 -2.985 1.00 0.00 C ATOM 1584 CG ARG A 98 10.090 -6.085 -4.507 1.00 0.00 C ATOM 1585 CD ARG A 98 9.239 -4.902 -4.967 1.00 0.00 C ATOM 1586 NE ARG A 98 7.800 -5.117 -4.758 1.00 0.00 N ATOM 1587 CZ ARG A 98 6.842 -4.595 -5.530 1.00 0.00 C ATOM 1588 NH1 ARG A 98 7.159 -3.874 -6.597 1.00 0.00 N ATOM 1589 NH2 ARG A 98 5.563 -4.810 -5.240 1.00 0.00 N ATOM 0 H ARG A 98 8.968 -4.567 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 98 8.092 -6.799 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.577 -5.313 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.823 -7.040 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.102 -5.970 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.687 -7.003 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.549 -4.007 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.424 -4.718 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 98 7.514 -5.702 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.139 -3.715 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.423 -3.478 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.312 -5.374 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.832 -4.411 -5.830 1.00 0.00 H new ATOM 1603 N ASN A 99 9.208 -7.238 -0.052 1.00 0.00 N ATOM 1604 CA ASN A 99 9.233 -8.212 1.038 1.00 0.00 C ATOM 1605 C ASN A 99 7.827 -8.725 1.317 1.00 0.00 C ATOM 1606 O ASN A 99 7.632 -9.904 1.608 1.00 0.00 O ATOM 1607 CB ASN A 99 9.828 -7.609 2.314 1.00 0.00 C ATOM 1608 CG ASN A 99 11.350 -7.609 2.335 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.963 -7.669 3.401 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.974 -7.540 1.168 1.00 0.00 N ATOM 0 H ASN A 99 9.452 -6.287 0.223 1.00 0.00 H new ATOM 0 HA ASN A 99 9.867 -9.042 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.471 -6.585 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.461 -8.167 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.993 -7.535 1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.435 -7.491 0.303 1.00 0.00 H new ATOM 1617 N LEU A 100 6.845 -7.836 1.208 1.00 0.00 N ATOM 1618 CA LEU A 100 5.452 -8.214 1.401 1.00 0.00 C ATOM 1619 C LEU A 100 5.002 -9.172 0.303 1.00 0.00 C ATOM 1620 O LEU A 100 4.269 -10.126 0.558 1.00 0.00 O ATOM 1621 CB LEU A 100 4.563 -6.970 1.418 1.00 0.00 C ATOM 1622 CG LEU A 100 4.828 -6.007 2.574 1.00 0.00 C ATOM 1623 CD1 LEU A 100 3.979 -4.757 2.427 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.542 -6.684 3.903 1.00 0.00 C ATOM 0 H LEU A 100 6.989 -6.851 0.987 1.00 0.00 H new ATOM 0 HA LEU A 100 5.361 -8.722 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.696 -6.433 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.521 -7.286 1.459 1.00 0.00 H new ATOM 0 HG LEU A 100 5.879 -5.719 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.179 -4.081 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.223 -4.260 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.924 -5.031 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.736 -5.985 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.499 -6.997 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.186 -7.556 4.013 1.00 0.00 H new ATOM 1636 N ALA A 101 5.467 -8.917 -0.917 1.00 0.00 N ATOM 1637 CA ALA A 101 5.154 -9.777 -2.053 1.00 0.00 C ATOM 1638 C ALA A 101 5.731 -11.176 -1.854 1.00 0.00 C ATOM 1639 O ALA A 101 5.165 -12.165 -2.323 1.00 0.00 O ATOM 1640 CB ALA A 101 5.681 -9.155 -3.338 1.00 0.00 C ATOM 0 H ALA A 101 6.063 -8.121 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 101 4.071 -9.871 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.443 -9.804 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.216 -8.180 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.762 -9.034 -3.267 1.00 0.00 H new ATOM 1646 N LYS A 102 6.851 -11.254 -1.144 1.00 0.00 N ATOM 1647 CA LYS A 102 7.476 -12.535 -0.832 1.00 0.00 C ATOM 1648 C LYS A 102 6.635 -13.311 0.172 1.00 0.00 C ATOM 1649 O LYS A 102 6.613 -14.541 0.166 1.00 0.00 O ATOM 1650 CB LYS A 102 8.878 -12.325 -0.261 1.00 0.00 C ATOM 1651 CG LYS A 102 9.872 -11.768 -1.258 1.00 0.00 C ATOM 1652 CD LYS A 102 11.233 -11.570 -0.616 1.00 0.00 C ATOM 1653 CE LYS A 102 12.312 -11.362 -1.662 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.416 -12.530 -2.576 1.00 0.00 N ATOM 0 H LYS A 102 7.346 -10.443 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 102 7.548 -13.106 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.815 -11.647 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.252 -13.277 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.961 -12.447 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.508 -10.817 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.200 -10.709 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.479 -12.438 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.092 -10.465 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.271 -11.197 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.378 -12.580 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.210 -13.403 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.732 -12.425 -3.353 1.00 0.00 H new ATOM 1668 N ALA A 103 5.936 -12.578 1.026 1.00 0.00 N ATOM 1669 CA ALA A 103 5.082 -13.179 2.038 1.00 0.00 C ATOM 1670 C ALA A 103 3.749 -13.596 1.435 1.00 0.00 C ATOM 1671 O ALA A 103 2.922 -14.221 2.100 1.00 0.00 O ATOM 1672 CB ALA A 103 4.865 -12.208 3.185 1.00 0.00 C ATOM 0 H ALA A 103 5.945 -11.558 1.037 1.00 0.00 H new ATOM 0 HA ALA A 103 5.576 -14.071 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.224 -12.670 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.825 -11.954 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.389 -11.302 2.810 1.00 0.00 H new ATOM 1678 N GLY A 104 3.548 -13.234 0.176 1.00 0.00 N ATOM 1679 CA GLY A 104 2.335 -13.601 -0.517 1.00 0.00 C ATOM 1680 C GLY A 104 1.287 -12.510 -0.479 1.00 0.00 C ATOM 1681 O GLY A 104 0.149 -12.727 -0.895 1.00 0.00 O ATOM 0 H GLY A 104 4.209 -12.690 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.571 -13.836 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.926 -14.507 -0.070 1.00 0.00 H new ATOM 1685 N VAL A 105 1.661 -11.340 0.023 1.00 0.00 N ATOM 1686 CA VAL A 105 0.741 -10.213 0.077 1.00 0.00 C ATOM 1687 C VAL A 105 0.563 -9.620 -1.310 1.00 0.00 C ATOM 1688 O VAL A 105 1.508 -9.103 -1.905 1.00 0.00 O ATOM 1689 CB VAL A 105 1.220 -9.111 1.043 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.201 -7.984 1.127 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.489 -9.691 2.420 1.00 0.00 C ATOM 0 H VAL A 105 2.590 -11.148 0.397 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.210 -10.594 0.450 1.00 0.00 H new ATOM 0 HB VAL A 105 2.151 -8.698 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.561 -7.218 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.060 -7.547 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.749 -8.378 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.826 -8.899 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.574 -10.133 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.260 -10.458 2.348 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.647 -9.720 -1.825 1.00 0.00 N ATOM 1702 CA PHE A 106 -0.949 -9.228 -3.156 1.00 0.00 C ATOM 1703 C PHE A 106 -1.940 -8.072 -3.087 1.00 0.00 C ATOM 1704 O PHE A 106 -1.989 -7.225 -3.978 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.507 -10.369 -4.010 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.784 -9.993 -5.438 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.742 -9.792 -6.329 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.085 -9.845 -5.890 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -0.994 -9.449 -7.643 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.342 -9.502 -7.203 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.295 -9.305 -8.080 1.00 0.00 C ATOM 0 H PHE A 106 -1.440 -10.139 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.033 -8.857 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.799 -11.198 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.430 -10.730 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.278 -9.905 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.908 -10.000 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.174 -9.294 -8.328 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.361 -9.388 -7.543 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.494 -9.038 -9.108 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.717 -8.032 -2.014 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.734 -7.008 -1.853 1.00 0.00 C ATOM 1723 C ARG A 107 -3.501 -6.206 -0.575 1.00 0.00 C ATOM 1724 O ARG A 107 -3.767 -6.676 0.531 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.130 -7.640 -1.853 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.257 -6.645 -1.624 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.622 -7.295 -1.790 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.949 -7.547 -3.193 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.267 -8.744 -3.682 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -8.264 -9.814 -2.891 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -8.586 -8.867 -4.965 1.00 0.00 N ATOM 0 H ARG A 107 -2.661 -8.698 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.667 -6.320 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.291 -8.143 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.171 -8.406 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.173 -6.224 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.160 -5.817 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.644 -8.236 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.384 -6.651 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.932 -6.756 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.017 -9.719 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.508 -10.729 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.587 -8.047 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.830 -9.782 -5.344 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.979 -5.005 -0.747 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.739 -4.084 0.352 1.00 0.00 C ATOM 1747 C TRP A 108 -3.911 -3.107 0.457 1.00 0.00 C ATOM 1748 O TRP A 108 -4.061 -2.217 -0.376 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.414 -3.347 0.087 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.026 -2.295 1.092 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.854 -1.508 1.839 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.309 -1.885 1.419 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.123 -0.646 2.607 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.206 -0.856 2.371 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.583 -2.288 1.003 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.319 -0.225 2.913 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.687 -1.659 1.542 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.548 -0.636 2.488 1.00 0.00 C ATOM 0 H TRP A 108 -2.707 -4.638 -1.659 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.661 -4.618 1.299 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.614 -4.086 0.039 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.474 -2.877 -0.895 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.933 -1.559 1.825 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.508 0.043 3.253 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.700 -3.076 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.215 0.563 3.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.675 -1.961 1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.432 -0.163 2.889 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.746 -3.278 1.466 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.906 -2.413 1.633 1.00 0.00 C ATOM 1771 C VAL A 109 -5.740 -1.500 2.841 1.00 0.00 C ATOM 1772 O VAL A 109 -5.861 -1.940 3.985 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.208 -3.226 1.795 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.414 -2.303 1.900 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.385 -4.202 0.643 1.00 0.00 C ATOM 0 H VAL A 109 -4.647 -4.001 2.178 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.977 -1.810 0.727 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.132 -3.798 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.320 -2.899 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.298 -1.650 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.489 -1.698 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.309 -4.763 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.431 -3.651 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.542 -4.892 0.618 1.00 0.00 H new ATOM 1785 N THR A 110 -5.455 -0.235 2.592 1.00 0.00 N ATOM 1786 CA THR A 110 -5.387 0.742 3.666 1.00 0.00 C ATOM 1787 C THR A 110 -6.742 1.414 3.839 1.00 0.00 C ATOM 1788 O THR A 110 -7.225 2.105 2.934 1.00 0.00 O ATOM 1789 CB THR A 110 -4.321 1.825 3.406 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.045 1.226 3.153 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.206 2.772 4.595 1.00 0.00 C ATOM 0 H THR A 110 -5.268 0.140 1.662 1.00 0.00 H new ATOM 0 HA THR A 110 -5.107 0.204 4.572 1.00 0.00 H new ATOM 0 HB THR A 110 -4.633 2.392 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.517 1.813 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.448 3.527 4.387 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.166 3.260 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.922 2.208 5.483 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.358 1.189 4.984 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.628 1.819 5.301 1.00 0.00 C ATOM 1801 C ASN A 111 -8.366 3.090 6.092 1.00 0.00 C ATOM 1802 O ASN A 111 -7.974 3.033 7.259 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.519 0.864 6.104 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.952 1.360 6.244 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.224 2.563 6.236 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.880 0.427 6.390 1.00 0.00 N ATOM 0 H ASN A 111 -6.999 0.573 5.713 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.149 2.066 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.524 -0.112 5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.090 0.725 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.858 0.694 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.617 -0.558 6.392 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.567 4.230 5.450 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.257 5.515 6.060 1.00 0.00 C ATOM 1815 C ILE A 112 -9.149 5.776 7.269 1.00 0.00 C ATOM 1816 O ILE A 112 -8.665 6.124 8.346 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.407 6.676 5.050 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -7.441 6.499 3.872 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.174 8.021 5.728 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.985 6.384 4.282 1.00 0.00 C ATOM 0 H ILE A 112 -8.944 4.292 4.504 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.217 5.469 6.385 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.427 6.657 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.723 5.606 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.551 7.345 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.285 8.821 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.902 8.156 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.168 8.048 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.365 6.261 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.684 7.287 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.858 5.521 4.935 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.448 5.568 7.104 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.399 5.918 8.145 1.00 0.00 C ATOM 1834 C HIS A 113 -11.319 4.948 9.318 1.00 0.00 C ATOM 1835 O HIS A 113 -11.622 5.315 10.449 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.824 5.956 7.598 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.665 7.017 8.244 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.496 6.782 9.319 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -13.776 8.338 7.969 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.081 7.912 9.674 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -14.661 8.869 8.870 1.00 0.00 N ATOM 0 H HIS A 113 -10.863 5.162 6.266 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.135 6.914 8.501 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.791 6.129 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -13.293 4.984 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.262 8.874 7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -15.784 8.032 10.485 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -14.949 9.847 8.912 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.907 3.715 9.053 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.796 2.719 10.111 1.00 0.00 C ATOM 1852 C GLU A 114 -9.391 2.732 10.713 1.00 0.00 C ATOM 1853 O GLU A 114 -9.143 2.099 11.743 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.132 1.324 9.581 1.00 0.00 C ATOM 1855 CG GLU A 114 -11.516 0.342 10.674 1.00 0.00 C ATOM 1856 CD GLU A 114 -11.744 -1.069 10.167 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -11.761 -1.283 8.939 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -11.912 -1.979 11.009 1.00 0.00 O ATOM 0 H GLU A 114 -10.647 3.383 8.124 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.513 2.972 10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.952 1.402 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.272 0.933 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.730 0.326 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.423 0.694 11.165 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.477 3.454 10.053 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.108 3.629 10.543 1.00 0.00 C ATOM 1867 C GLN A 115 -6.344 2.305 10.580 1.00 0.00 C ATOM 1868 O GLN A 115 -5.499 2.093 11.450 1.00 0.00 O ATOM 1869 CB GLN A 115 -7.121 4.263 11.939 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.620 5.698 11.962 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.613 6.674 11.389 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.772 7.206 12.113 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -6.695 6.931 10.094 1.00 0.00 N ATOM 0 H GLN A 115 -8.666 3.930 9.171 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.594 4.292 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.749 3.660 12.595 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.112 4.234 12.349 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.549 5.765 11.395 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.852 5.982 12.989 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.406 6.470 9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.047 7.590 9.663 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.606 1.437 9.614 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.987 0.117 9.597 1.00 0.00 C ATOM 1884 C LYS A 116 -5.376 -0.204 8.236 1.00 0.00 C ATOM 1885 O LYS A 116 -5.795 0.334 7.210 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.011 -0.965 9.940 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.586 -0.876 11.342 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.549 -2.020 11.592 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.277 -1.882 12.915 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.376 -2.876 13.026 1.00 0.00 N ATOM 0 H LYS A 116 -7.239 1.620 8.835 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.195 0.132 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.830 -0.911 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.542 -1.941 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.780 -0.904 12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.101 0.076 11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.277 -2.062 10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.001 -2.962 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.574 -2.019 13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.683 -0.875 13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.644 -2.987 14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.199 -2.546 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.056 -3.791 12.649 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.380 -1.081 8.243 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.824 -1.636 7.015 1.00 0.00 C ATOM 1906 C ARG A 117 -4.129 -3.126 6.951 1.00 0.00 C ATOM 1907 O ARG A 117 -3.649 -3.899 7.783 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.307 -1.446 6.940 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.838 -0.006 6.830 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.325 0.041 6.701 1.00 0.00 C ATOM 1911 NE ARG A 117 0.207 1.401 6.700 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.395 1.728 7.213 1.00 0.00 C ATOM 1913 NH1 ARG A 117 2.127 0.813 7.843 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.836 2.978 7.121 1.00 0.00 N ATOM 0 H ARG A 117 -3.937 -1.426 9.094 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.280 -1.108 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.857 -1.890 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.930 -2.000 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.300 0.470 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.154 0.556 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.122 -0.517 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.029 -0.459 5.779 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.360 2.141 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.781 -0.142 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.034 1.066 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.267 3.687 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.744 3.229 7.513 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.931 -3.520 5.977 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.288 -4.920 5.796 1.00 0.00 C ATOM 1930 C TYR A 118 -4.408 -5.563 4.727 1.00 0.00 C ATOM 1931 O TYR A 118 -4.477 -5.202 3.549 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.763 -5.050 5.408 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.730 -4.748 6.535 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.107 -3.443 6.836 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.275 -5.777 7.293 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.995 -3.175 7.862 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.163 -5.516 8.319 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.522 -4.214 8.599 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.410 -3.950 9.619 1.00 0.00 O ATOM 0 H TYR A 118 -5.350 -2.888 5.295 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.126 -5.439 6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.969 -4.376 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.945 -6.063 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.700 -2.626 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.000 -6.799 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.274 -2.156 8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.574 -6.328 8.900 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.687 -4.792 10.037 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.577 -6.505 5.147 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.681 -7.201 4.235 1.00 0.00 C ATOM 1951 C TYR A 119 -3.284 -8.539 3.817 1.00 0.00 C ATOM 1952 O TYR A 119 -3.316 -9.492 4.604 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.315 -7.419 4.894 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.571 -6.137 5.211 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.799 -5.449 6.396 1.00 0.00 C ATOM 1956 CD2 TYR A 119 0.360 -5.619 4.321 1.00 0.00 C ATOM 1957 CE1 TYR A 119 -0.121 -4.281 6.684 1.00 0.00 C ATOM 1958 CE2 TYR A 119 1.042 -4.450 4.602 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.799 -3.785 5.786 1.00 0.00 C ATOM 1960 OH TYR A 119 1.473 -2.618 6.067 1.00 0.00 O ATOM 0 H TYR A 119 -3.504 -6.806 6.119 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.546 -6.586 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.454 -7.984 5.816 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.699 -8.031 4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -1.518 -5.834 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 119 0.555 -6.138 3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -0.311 -3.758 7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 119 1.762 -4.059 3.898 1.00 0.00 H new ATOM 0 HH TYR A 119 1.513 -2.489 7.038 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.776 -8.597 2.585 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.390 -9.809 2.055 1.00 0.00 C ATOM 1972 C TYR A 120 -3.443 -10.529 1.104 1.00 0.00 C ATOM 1973 O TYR A 120 -2.736 -9.898 0.314 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.688 -9.483 1.315 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.813 -9.005 2.204 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.643 -9.915 2.841 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.052 -7.651 2.393 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.683 -9.491 3.645 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.089 -7.219 3.199 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.900 -8.142 3.821 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.935 -7.715 4.620 1.00 0.00 O ATOM 0 H TYR A 120 -3.761 -7.814 1.931 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.611 -10.459 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.482 -8.717 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.019 -10.372 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.473 -10.973 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.419 -6.925 1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.322 -10.212 4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.262 -6.162 3.340 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.577 -7.187 5.364 1.00 0.00 H new ATOM 1991 N THR A 121 -3.442 -11.849 1.178 1.00 0.00 N ATOM 1992 CA THR A 121 -2.660 -12.657 0.263 1.00 0.00 C ATOM 1993 C THR A 121 -3.405 -12.788 -1.066 1.00 0.00 C ATOM 1994 O THR A 121 -4.570 -12.392 -1.173 1.00 0.00 O ATOM 1995 CB THR A 121 -2.362 -14.057 0.862 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.553 -14.831 -0.032 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.643 -14.817 1.159 1.00 0.00 C ATOM 0 H THR A 121 -3.975 -12.383 1.864 1.00 0.00 H new ATOM 0 HA THR A 121 -1.703 -12.163 0.093 1.00 0.00 H new ATOM 0 HB THR A 121 -1.822 -13.898 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.829 -14.272 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.398 -15.793 1.577 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.242 -14.255 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.210 -14.949 0.237 1.00 0.00 H new ATOM 2005 N PHE A 122 -2.739 -13.344 -2.070 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.329 -13.501 -3.398 1.00 0.00 C ATOM 2007 C PHE A 122 -4.494 -14.492 -3.378 1.00 0.00 C ATOM 2008 O PHE A 122 -5.233 -14.616 -4.353 1.00 0.00 O ATOM 2009 CB PHE A 122 -2.268 -13.954 -4.411 1.00 0.00 C ATOM 2010 CG PHE A 122 -1.575 -15.242 -4.051 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -0.434 -15.231 -3.264 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -2.063 -16.460 -4.500 1.00 0.00 C ATOM 2013 CE1 PHE A 122 0.206 -16.409 -2.931 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -1.426 -17.640 -4.169 1.00 0.00 C ATOM 2015 CZ PHE A 122 -0.292 -17.615 -3.385 1.00 0.00 C ATOM 0 H PHE A 122 -1.785 -13.696 -1.991 1.00 0.00 H new ATOM 0 HA PHE A 122 -3.717 -12.529 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.740 -14.070 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -1.519 -13.168 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.041 -14.291 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.950 -16.486 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 122 1.094 -16.387 -2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.816 -18.582 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.206 -18.537 -3.126 1.00 0.00 H new ATOM 2025 N ASP A 123 -4.649 -15.195 -2.264 1.00 0.00 N ATOM 2026 CA ASP A 123 -5.735 -16.157 -2.112 1.00 0.00 C ATOM 2027 C ASP A 123 -6.925 -15.518 -1.392 1.00 0.00 C ATOM 2028 O ASP A 123 -7.837 -16.205 -0.942 1.00 0.00 O ATOM 2029 CB ASP A 123 -5.241 -17.386 -1.343 1.00 0.00 C ATOM 2030 CG ASP A 123 -6.190 -18.564 -1.459 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -6.391 -19.056 -2.587 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -6.719 -19.019 -0.424 1.00 0.00 O ATOM 0 H ASP A 123 -4.037 -15.118 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.065 -16.470 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.260 -17.676 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.116 -17.127 -0.292 1.00 0.00 H new ATOM 2037 N ASN A 124 -6.891 -14.185 -1.284 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.986 -13.392 -0.697 1.00 0.00 C ATOM 2039 C ASN A 124 -8.053 -13.539 0.823 1.00 0.00 C ATOM 2040 O ASN A 124 -8.955 -13.004 1.466 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.346 -13.765 -1.305 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.456 -13.436 -2.782 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -8.844 -12.485 -3.270 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.248 -14.218 -3.502 1.00 0.00 N ATOM 0 H ASN A 124 -6.103 -13.621 -1.601 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.765 -12.351 -0.935 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.518 -14.832 -1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.134 -13.241 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -10.368 -14.042 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -10.737 -14.996 -3.059 1.00 0.00 H new ATOM 2051 N SER A 125 -7.097 -14.249 1.395 1.00 0.00 N ATOM 2052 CA SER A 125 -7.077 -14.468 2.832 1.00 0.00 C ATOM 2053 C SER A 125 -6.326 -13.337 3.538 1.00 0.00 C ATOM 2054 O SER A 125 -5.364 -12.782 2.998 1.00 0.00 O ATOM 2055 CB SER A 125 -6.432 -15.820 3.143 1.00 0.00 C ATOM 2056 OG SER A 125 -6.458 -16.098 4.531 1.00 0.00 O ATOM 0 H SER A 125 -6.325 -14.683 0.889 1.00 0.00 H new ATOM 0 HA SER A 125 -8.102 -14.475 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.957 -16.608 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.401 -15.823 2.789 1.00 0.00 H new ATOM 0 HG SER A 125 -6.041 -16.969 4.698 1.00 0.00 H new ATOM 2062 N LEU A 126 -6.773 -12.997 4.741 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.157 -11.933 5.519 1.00 0.00 C ATOM 2064 C LEU A 126 -4.983 -12.481 6.319 1.00 0.00 C ATOM 2065 O LEU A 126 -5.132 -13.441 7.077 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.189 -11.302 6.459 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.672 -10.149 7.326 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.207 -8.988 6.459 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.749 -9.697 8.299 1.00 0.00 C ATOM 0 H LEU A 126 -7.565 -13.447 5.200 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.789 -11.166 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.025 -10.938 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.581 -12.079 7.115 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.816 -10.505 7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.844 -8.181 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.403 -9.323 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.040 -8.628 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.368 -8.878 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.623 -9.359 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.029 -10.530 8.944 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.816 -11.881 6.143 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.619 -12.344 6.825 1.00 0.00 C ATOM 2083 C LEU A 127 -2.256 -11.436 7.991 1.00 0.00 C ATOM 2084 O LEU A 127 -1.976 -11.911 9.091 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.449 -12.417 5.847 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.598 -13.449 4.733 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.383 -13.429 3.822 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.795 -14.839 5.318 1.00 0.00 C ATOM 0 H LEU A 127 -3.673 -11.074 5.535 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.827 -13.339 7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.312 -11.435 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.541 -12.639 6.407 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.478 -13.192 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.507 -14.171 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.279 -12.440 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.510 -13.661 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.900 -15.563 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.933 -15.102 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.694 -14.851 5.934 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.264 -10.132 7.750 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.824 -9.182 8.756 1.00 0.00 C ATOM 2102 C PHE A 128 -2.715 -7.947 8.749 1.00 0.00 C ATOM 2103 O PHE A 128 -3.276 -7.584 7.716 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.369 -8.786 8.489 1.00 0.00 C ATOM 2105 CG PHE A 128 0.350 -8.225 9.683 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.924 -9.076 10.611 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.459 -6.858 9.876 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.593 -8.579 11.710 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.130 -6.351 10.972 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.697 -7.212 11.891 1.00 0.00 C ATOM 0 H PHE A 128 -2.569 -9.712 6.872 1.00 0.00 H new ATOM 0 HA PHE A 128 -1.894 -9.650 9.738 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.173 -9.661 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.347 -8.048 7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.847 -10.144 10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.014 -6.181 9.162 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.034 -9.255 12.427 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.211 -5.283 11.110 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.221 -6.818 12.750 1.00 0.00 H new ATOM 2120 N THR A 129 -2.863 -7.326 9.907 1.00 0.00 N ATOM 2121 CA THR A 129 -3.623 -6.092 10.029 1.00 0.00 C ATOM 2122 C THR A 129 -3.025 -5.210 11.122 1.00 0.00 C ATOM 2123 O THR A 129 -2.932 -5.617 12.280 1.00 0.00 O ATOM 2124 CB THR A 129 -5.109 -6.364 10.352 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.670 -7.236 9.364 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.907 -5.066 10.399 1.00 0.00 C ATOM 0 H THR A 129 -2.463 -7.660 10.784 1.00 0.00 H new ATOM 0 HA THR A 129 -3.569 -5.581 9.068 1.00 0.00 H new ATOM 0 HB THR A 129 -5.162 -6.837 11.333 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.349 -6.753 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.949 -5.288 10.628 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.497 -4.414 11.170 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.847 -4.567 9.432 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.599 -4.015 10.743 1.00 0.00 N ATOM 2135 CA GLU A 130 -2.044 -3.066 11.695 1.00 0.00 C ATOM 2136 C GLU A 130 -2.940 -1.837 11.789 1.00 0.00 C ATOM 2137 O GLU A 130 -3.910 -1.710 11.041 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.629 -2.655 11.282 1.00 0.00 C ATOM 2139 CG GLU A 130 -0.574 -1.946 9.942 1.00 0.00 C ATOM 2140 CD GLU A 130 0.801 -1.401 9.620 1.00 0.00 C ATOM 2141 OE1 GLU A 130 1.288 -0.537 10.374 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.379 -1.807 8.590 1.00 0.00 O ATOM 0 H GLU A 130 -2.627 -3.679 9.780 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.993 -3.545 12.673 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.210 -2.002 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.002 -3.543 11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.878 -2.639 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.293 -1.127 9.940 1.00 0.00 H new ATOM 2149 N SER A 131 -2.617 -0.942 12.705 1.00 0.00 N ATOM 2150 CA SER A 131 -3.386 0.276 12.884 1.00 0.00 C ATOM 2151 C SER A 131 -2.466 1.494 12.843 1.00 0.00 C ATOM 2152 O SER A 131 -1.463 1.551 13.557 1.00 0.00 O ATOM 2153 CB SER A 131 -4.157 0.218 14.202 1.00 0.00 C ATOM 2154 OG SER A 131 -4.923 -0.972 14.280 1.00 0.00 O ATOM 0 H SER A 131 -1.824 -1.037 13.339 1.00 0.00 H new ATOM 0 HA SER A 131 -4.104 0.367 12.069 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.461 0.264 15.039 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.813 1.085 14.285 1.00 0.00 H new ATOM 0 HG SER A 131 -5.409 -0.993 15.131 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.826 2.470 12.021 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.964 3.617 11.749 1.00 0.00 C ATOM 2162 C ILE A 132 -2.288 4.813 12.644 1.00 0.00 C ATOM 2163 O ILE A 132 -2.090 5.960 12.250 1.00 0.00 O ATOM 2164 CB ILE A 132 -2.060 4.053 10.268 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.517 4.345 9.882 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.468 2.977 9.369 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.690 4.837 8.460 1.00 0.00 C ATOM 0 H ILE A 132 -3.717 2.492 11.526 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.948 3.289 11.967 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.488 4.971 10.135 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.107 3.438 10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.921 5.092 10.566 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.540 3.292 8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.421 2.821 9.629 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -2.018 2.046 9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.746 5.021 8.265 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -3.130 5.762 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.318 4.083 7.766 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.763 4.538 13.853 1.00 0.00 N ATOM 2180 CA GLN A 133 -3.059 5.595 14.816 1.00 0.00 C ATOM 2181 C GLN A 133 -1.775 6.297 15.262 1.00 0.00 C ATOM 2182 O GLN A 133 -1.537 7.461 14.937 1.00 0.00 O ATOM 2183 CB GLN A 133 -3.780 5.019 16.039 1.00 0.00 C ATOM 2184 CG GLN A 133 -3.986 6.038 17.148 1.00 0.00 C ATOM 2185 CD GLN A 133 -4.542 5.428 18.417 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -4.314 4.258 18.711 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -5.260 6.227 19.187 1.00 0.00 N ATOM 0 H GLN A 133 -2.952 3.594 14.191 1.00 0.00 H new ATOM 0 HA GLN A 133 -3.707 6.322 14.328 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -4.749 4.627 15.730 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -3.206 4.179 16.429 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -3.035 6.522 17.371 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -4.665 6.816 16.798 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -5.426 7.193 18.905 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -5.648 5.877 20.063 1.00 0.00 H new