USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 116 TYR OH : rot 0:sc= 0.515 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.57 K(o=2.1,f=-13!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.662 X(o=1,f=0.59) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.345 USER MOD Single : A 84 SER OG : rot 29:sc= 0.06 USER MOD Single : A 85 SER OG : rot -170:sc= 0.799 USER MOD Single : A 88 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.0619 K(o=-0.062,f=-2.8!) USER MOD Single : A 92 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 96 SER OG : rot 40:sc= 0.338 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 100 SER OG : rot -88:sc= 1.81 USER MOD Single : A 103 TYR OH : rot -5:sc= 1.27 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0.93 K(o=0.93,f=-0.37) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.809 K(o=0.81,f=-4.4!) USER MOD Single : A 134 LYS NZ :NH3+ 161:sc= 0.997 (180deg=0.752) USER MOD Single : A 137 SER OG : rot 94:sc= 0.509 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 145 ASN : amide:sc= -0.008 K(o=-0.008,f=-2.2) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 366 SER OG : rot 76:sc= 1.26 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= 0.807 K(o=0.81,f=-5.2!) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.14) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 2.950 -1.486 0.338 1.00 0.00 N ATOM 2 CA SER A 84 2.853 -0.006 0.270 1.00 0.00 C ATOM 3 C SER A 84 2.061 0.437 -0.972 1.00 0.00 C ATOM 4 O SER A 84 2.200 -0.155 -2.047 1.00 0.00 O ATOM 5 CB SER A 84 4.256 0.638 0.297 1.00 0.00 C ATOM 6 OG SER A 84 4.971 0.260 1.473 1.00 0.00 O ATOM 0 HA SER A 84 2.310 0.339 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.817 0.334 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.162 1.723 0.257 1.00 0.00 H new ATOM 0 HG SER A 84 4.672 -0.626 1.767 1.00 0.00 H new ATOM 12 N SER A 85 1.209 1.462 -0.835 1.00 0.00 N ATOM 13 CA SER A 85 0.394 2.010 -1.926 1.00 0.00 C ATOM 14 C SER A 85 1.279 2.488 -3.085 1.00 0.00 C ATOM 15 O SER A 85 2.326 3.098 -2.851 1.00 0.00 O ATOM 16 CB SER A 85 -0.463 3.165 -1.390 1.00 0.00 C ATOM 17 OG SER A 85 -0.949 2.875 -0.081 1.00 0.00 O ATOM 0 H SER A 85 1.065 1.942 0.054 1.00 0.00 H new ATOM 0 HA SER A 85 -0.258 1.225 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.127 4.081 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.302 3.343 -2.062 1.00 0.00 H new ATOM 0 HG SER A 85 -1.615 3.546 0.177 1.00 0.00 H new ATOM 23 N GLU A 86 0.846 2.232 -4.326 1.00 0.00 N ATOM 24 CA GLU A 86 1.636 2.540 -5.523 1.00 0.00 C ATOM 25 C GLU A 86 0.780 3.155 -6.646 1.00 0.00 C ATOM 26 O GLU A 86 1.308 3.487 -7.704 1.00 0.00 O ATOM 27 CB GLU A 86 2.377 1.254 -5.947 1.00 0.00 C ATOM 28 CG GLU A 86 3.675 1.551 -6.704 1.00 0.00 C ATOM 29 CD GLU A 86 4.422 0.259 -7.082 1.00 0.00 C ATOM 30 OE1 GLU A 86 4.112 -0.343 -8.141 1.00 0.00 O ATOM 31 OE2 GLU A 86 5.331 -0.167 -6.324 1.00 0.00 O ATOM 0 H GLU A 86 -0.059 1.807 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 86 2.372 3.312 -5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.604 0.660 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.722 0.651 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.448 2.118 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.320 2.178 -6.088 1.00 0.00 H new ATOM 38 N PHE A 87 -0.530 3.348 -6.416 1.00 0.00 N ATOM 39 CA PHE A 87 -1.454 4.104 -7.280 1.00 0.00 C ATOM 40 C PHE A 87 -1.405 3.695 -8.761 1.00 0.00 C ATOM 41 O PHE A 87 -1.517 4.530 -9.662 1.00 0.00 O ATOM 42 CB PHE A 87 -1.248 5.604 -7.015 1.00 0.00 C ATOM 43 CG PHE A 87 -1.128 5.954 -5.538 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.209 5.757 -4.658 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.077 6.474 -5.033 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.102 6.101 -3.300 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.193 6.806 -3.670 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.903 6.637 -2.809 1.00 0.00 C ATOM 0 H PHE A 87 -0.993 2.967 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.480 3.849 -7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.347 5.935 -7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.083 6.158 -7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.131 5.337 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.918 6.619 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.941 5.953 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.126 7.191 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.823 6.920 -1.770 1.00 0.00 H new ATOM 58 N GLN A 88 -1.211 2.392 -9.002 1.00 0.00 N ATOM 59 CA GLN A 88 -1.174 1.804 -10.336 1.00 0.00 C ATOM 60 C GLN A 88 -2.602 1.520 -10.841 1.00 0.00 C ATOM 61 O GLN A 88 -3.591 1.876 -10.198 1.00 0.00 O ATOM 62 CB GLN A 88 -0.336 0.504 -10.303 1.00 0.00 C ATOM 63 CG GLN A 88 1.101 0.650 -9.780 1.00 0.00 C ATOM 64 CD GLN A 88 1.977 1.531 -10.675 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.281 1.182 -11.815 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.401 2.689 -10.192 1.00 0.00 N ATOM 0 H GLN A 88 -1.073 1.709 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.709 2.508 -11.026 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.856 -0.226 -9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.296 0.094 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.075 1.074 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.554 -0.338 -9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.145 2.971 -9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.984 3.298 -10.766 1.00 0.00 H new ATOM 75 N ILE A 89 -2.723 0.861 -12.002 1.00 0.00 N ATOM 76 CA ILE A 89 -4.001 0.332 -12.490 1.00 0.00 C ATOM 77 C ILE A 89 -4.631 -0.523 -11.376 1.00 0.00 C ATOM 78 O ILE A 89 -3.927 -1.233 -10.653 1.00 0.00 O ATOM 79 CB ILE A 89 -3.811 -0.446 -13.817 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.228 0.490 -14.909 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.138 -1.069 -14.291 1.00 0.00 C ATOM 82 CD1 ILE A 89 -2.954 -0.181 -16.260 1.00 0.00 C ATOM 0 H ILE A 89 -1.938 0.681 -12.627 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.685 1.147 -12.724 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.106 -1.258 -13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.921 1.317 -15.065 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.297 0.920 -14.539 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.974 -1.608 -15.224 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.507 -1.759 -13.533 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.873 -0.280 -14.452 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.549 0.554 -16.956 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.235 -0.989 -16.126 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.884 -0.586 -16.660 1.00 0.00 H new ATOM 94 N ASN A 90 -5.963 -0.462 -11.267 1.00 0.00 N ATOM 95 CA ASN A 90 -6.775 -1.106 -10.239 1.00 0.00 C ATOM 96 C ASN A 90 -6.427 -0.639 -8.816 1.00 0.00 C ATOM 97 O ASN A 90 -6.752 -1.331 -7.852 1.00 0.00 O ATOM 98 CB ASN A 90 -6.809 -2.646 -10.398 1.00 0.00 C ATOM 99 CG ASN A 90 -7.528 -3.106 -11.663 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.579 -2.581 -12.015 1.00 0.00 O ATOM 101 ND2 ASN A 90 -6.993 -4.089 -12.373 1.00 0.00 N ATOM 0 H ASN A 90 -6.529 0.067 -11.930 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.799 -0.770 -10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.787 -3.026 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.301 -3.083 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.456 -4.416 -13.221 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.119 -4.519 -12.071 1.00 0.00 H new ATOM 108 N GLU A 91 -5.827 0.545 -8.654 1.00 0.00 N ATOM 109 CA GLU A 91 -5.605 1.186 -7.362 1.00 0.00 C ATOM 110 C GLU A 91 -6.105 2.637 -7.446 1.00 0.00 C ATOM 111 O GLU A 91 -6.489 3.120 -8.515 1.00 0.00 O ATOM 112 CB GLU A 91 -4.116 1.033 -6.980 1.00 0.00 C ATOM 113 CG GLU A 91 -3.716 1.542 -5.587 1.00 0.00 C ATOM 114 CD GLU A 91 -4.574 0.933 -4.465 1.00 0.00 C ATOM 115 OE1 GLU A 91 -5.639 1.517 -4.152 1.00 0.00 O ATOM 116 OE2 GLU A 91 -4.187 -0.115 -3.900 1.00 0.00 O ATOM 0 H GLU A 91 -5.476 1.094 -9.439 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.170 0.715 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.852 -0.022 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.516 1.560 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.667 1.307 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.808 2.628 -5.561 1.00 0.00 H new ATOM 123 N GLN A 92 -6.182 3.300 -6.295 1.00 0.00 N ATOM 124 CA GLN A 92 -6.748 4.628 -6.092 1.00 0.00 C ATOM 125 C GLN A 92 -5.920 5.732 -6.757 1.00 0.00 C ATOM 126 O GLN A 92 -4.694 5.656 -6.819 1.00 0.00 O ATOM 127 CB GLN A 92 -6.816 4.889 -4.572 1.00 0.00 C ATOM 128 CG GLN A 92 -7.982 4.133 -3.926 1.00 0.00 C ATOM 129 CD GLN A 92 -7.764 3.881 -2.436 1.00 0.00 C ATOM 130 OE1 GLN A 92 -8.225 4.635 -1.580 1.00 0.00 O ATOM 131 NE2 GLN A 92 -7.061 2.812 -2.099 1.00 0.00 N ATOM 0 H GLN A 92 -5.829 2.898 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.736 4.652 -6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.879 4.582 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.928 5.958 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.901 4.703 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.119 3.179 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.687 2.199 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.893 2.601 -1.115 1.00 0.00 H new ATOM 140 N VAL A 93 -6.602 6.805 -7.152 1.00 0.00 N ATOM 141 CA VAL A 93 -6.071 8.082 -7.617 1.00 0.00 C ATOM 142 C VAL A 93 -7.088 9.171 -7.265 1.00 0.00 C ATOM 143 O VAL A 93 -8.254 8.880 -6.980 1.00 0.00 O ATOM 144 CB VAL A 93 -5.813 8.092 -9.142 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.459 7.459 -9.480 1.00 0.00 C ATOM 146 CG2 VAL A 93 -6.968 7.490 -9.963 1.00 0.00 C ATOM 0 H VAL A 93 -7.622 6.802 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.112 8.257 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.770 9.139 -9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.306 7.481 -10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.663 8.019 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.443 6.426 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.720 7.529 -11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.124 6.453 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.879 8.061 -9.782 1.00 0.00 H new ATOM 156 N LEU A 94 -6.647 10.425 -7.287 1.00 0.00 N ATOM 157 CA LEU A 94 -7.519 11.581 -7.223 1.00 0.00 C ATOM 158 C LEU A 94 -7.696 11.977 -8.677 1.00 0.00 C ATOM 159 O LEU A 94 -6.700 12.226 -9.357 1.00 0.00 O ATOM 160 CB LEU A 94 -6.858 12.758 -6.489 1.00 0.00 C ATOM 161 CG LEU A 94 -7.016 12.805 -4.964 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.451 14.149 -4.493 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.465 12.663 -4.475 1.00 0.00 C ATOM 0 H LEU A 94 -5.658 10.665 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.443 11.349 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.793 12.745 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.262 13.683 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.482 11.951 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.544 14.223 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.400 14.220 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.006 14.961 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.487 12.707 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.068 13.474 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.869 11.707 -4.808 1.00 0.00 H new ATOM 175 N ALA A 95 -8.935 12.062 -9.153 1.00 0.00 N ATOM 176 CA ALA A 95 -9.257 12.450 -10.516 1.00 0.00 C ATOM 177 C ALA A 95 -10.327 13.534 -10.469 1.00 0.00 C ATOM 178 O ALA A 95 -11.256 13.448 -9.662 1.00 0.00 O ATOM 179 CB ALA A 95 -9.754 11.225 -11.293 1.00 0.00 C ATOM 0 H ALA A 95 -9.758 11.858 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.374 12.839 -11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.996 11.516 -12.315 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.975 10.463 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.645 10.824 -10.810 1.00 0.00 H new ATOM 185 N SER A 96 -10.187 14.560 -11.302 1.00 0.00 N ATOM 186 CA SER A 96 -11.137 15.654 -11.342 1.00 0.00 C ATOM 187 C SER A 96 -12.483 15.189 -11.904 1.00 0.00 C ATOM 188 O SER A 96 -12.544 14.344 -12.803 1.00 0.00 O ATOM 189 CB SER A 96 -10.536 16.827 -12.124 1.00 0.00 C ATOM 190 OG SER A 96 -9.583 17.463 -11.289 1.00 0.00 O ATOM 0 H SER A 96 -9.415 14.652 -11.963 1.00 0.00 H new ATOM 0 HA SER A 96 -11.338 16.003 -10.329 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.064 16.473 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.316 17.530 -12.417 1.00 0.00 H new ATOM 0 HG SER A 96 -9.081 16.785 -10.791 1.00 0.00 H new ATOM 196 N TRP A 97 -13.556 15.763 -11.364 1.00 0.00 N ATOM 197 CA TRP A 97 -14.941 15.467 -11.695 1.00 0.00 C ATOM 198 C TRP A 97 -15.614 16.766 -12.128 1.00 0.00 C ATOM 199 O TRP A 97 -15.192 17.852 -11.713 1.00 0.00 O ATOM 200 CB TRP A 97 -15.624 14.847 -10.476 1.00 0.00 C ATOM 201 CG TRP A 97 -16.958 14.187 -10.669 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.341 13.377 -11.682 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.114 14.273 -9.795 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.625 12.912 -11.450 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.128 13.387 -10.255 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.373 14.996 -8.620 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.306 13.163 -9.521 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.542 14.784 -7.869 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.497 13.851 -8.305 1.00 0.00 C ATOM 0 H TRP A 97 -13.474 16.484 -10.647 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.012 14.750 -12.513 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -14.944 14.107 -10.054 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.745 15.631 -9.728 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.737 13.130 -12.542 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.135 12.296 -12.083 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.657 15.732 -8.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.054 12.474 -9.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.706 15.338 -6.957 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.377 13.661 -7.709 1.00 0.00 H new ATOM 220 N SER A 98 -16.670 16.651 -12.935 1.00 0.00 N ATOM 221 CA SER A 98 -17.384 17.775 -13.534 1.00 0.00 C ATOM 222 C SER A 98 -17.943 18.755 -12.491 1.00 0.00 C ATOM 223 O SER A 98 -18.209 19.914 -12.818 1.00 0.00 O ATOM 224 CB SER A 98 -18.506 17.220 -14.421 1.00 0.00 C ATOM 225 OG SER A 98 -18.018 16.172 -15.257 1.00 0.00 O ATOM 0 H SER A 98 -17.062 15.746 -13.196 1.00 0.00 H new ATOM 0 HA SER A 98 -16.677 18.351 -14.130 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.318 16.846 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.919 18.020 -15.036 1.00 0.00 H new ATOM 0 HG SER A 98 -18.749 15.830 -15.813 1.00 0.00 H new ATOM 231 N ASP A 99 -18.104 18.306 -11.241 1.00 0.00 N ATOM 232 CA ASP A 99 -18.513 19.141 -10.119 1.00 0.00 C ATOM 233 C ASP A 99 -17.573 20.336 -9.898 1.00 0.00 C ATOM 234 O ASP A 99 -18.052 21.464 -9.750 1.00 0.00 O ATOM 235 CB ASP A 99 -18.566 18.307 -8.847 1.00 0.00 C ATOM 236 CG ASP A 99 -18.828 19.200 -7.628 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.993 19.599 -7.391 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.841 19.494 -6.912 1.00 0.00 O ATOM 0 H ASP A 99 -17.949 17.332 -10.982 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.500 19.536 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.352 17.556 -8.930 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.626 17.771 -8.717 1.00 0.00 H new ATOM 243 N SER A 100 -16.249 20.106 -9.877 1.00 0.00 N ATOM 244 CA SER A 100 -15.263 21.138 -9.554 1.00 0.00 C ATOM 245 C SER A 100 -13.826 20.680 -9.853 1.00 0.00 C ATOM 246 O SER A 100 -13.167 21.224 -10.743 1.00 0.00 O ATOM 247 CB SER A 100 -15.397 21.544 -8.070 1.00 0.00 C ATOM 248 OG SER A 100 -15.447 20.415 -7.205 1.00 0.00 O ATOM 0 H SER A 100 -15.837 19.196 -10.085 1.00 0.00 H new ATOM 0 HA SER A 100 -15.466 22.000 -10.190 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.554 22.176 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.300 22.140 -7.939 1.00 0.00 H new ATOM 0 HG SER A 100 -16.375 20.114 -7.113 1.00 0.00 H new ATOM 254 N ARG A 101 -13.337 19.694 -9.089 1.00 0.00 N ATOM 255 CA ARG A 101 -11.940 19.242 -9.051 1.00 0.00 C ATOM 256 C ARG A 101 -11.887 17.785 -8.596 1.00 0.00 C ATOM 257 O ARG A 101 -12.861 17.055 -8.769 1.00 0.00 O ATOM 258 CB ARG A 101 -11.064 20.181 -8.172 1.00 0.00 C ATOM 259 CG ARG A 101 -11.155 20.081 -6.625 1.00 0.00 C ATOM 260 CD ARG A 101 -12.577 20.018 -6.051 1.00 0.00 C ATOM 261 NE ARG A 101 -12.596 19.643 -4.628 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.702 19.524 -3.883 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.904 19.772 -4.405 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.593 19.151 -2.609 1.00 0.00 N ATOM 0 H ARG A 101 -13.932 19.165 -8.451 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.516 19.293 -10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.024 20.013 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.306 21.207 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.612 19.192 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.645 20.941 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.058 20.988 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.163 19.297 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.700 19.460 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.987 20.056 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.740 19.678 -3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.674 18.959 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.429 19.057 -2.032 1.00 0.00 H new ATOM 278 N PHE A 102 -10.737 17.363 -8.072 1.00 0.00 N ATOM 279 CA PHE A 102 -10.444 16.035 -7.562 1.00 0.00 C ATOM 280 C PHE A 102 -11.496 15.435 -6.625 1.00 0.00 C ATOM 281 O PHE A 102 -11.994 16.097 -5.713 1.00 0.00 O ATOM 282 CB PHE A 102 -9.098 16.099 -6.823 1.00 0.00 C ATOM 283 CG PHE A 102 -7.952 16.581 -7.689 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.715 15.947 -8.918 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.132 17.657 -7.290 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.715 16.423 -9.768 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.105 18.113 -8.140 1.00 0.00 C ATOM 288 CZ PHE A 102 -5.902 17.491 -9.387 1.00 0.00 C ATOM 0 H PHE A 102 -9.934 17.987 -7.990 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.429 15.375 -8.429 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.196 16.762 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.858 15.109 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.306 15.091 -9.207 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.291 18.131 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.569 15.959 -10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.476 18.937 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.120 17.839 -10.046 1.00 0.00 H new ATOM 298 N TYR A 103 -11.701 14.129 -6.816 1.00 0.00 N ATOM 299 CA TYR A 103 -12.445 13.181 -5.995 1.00 0.00 C ATOM 300 C TYR A 103 -11.691 11.841 -6.131 1.00 0.00 C ATOM 301 O TYR A 103 -10.953 11.666 -7.108 1.00 0.00 O ATOM 302 CB TYR A 103 -13.892 13.038 -6.503 1.00 0.00 C ATOM 303 CG TYR A 103 -14.799 14.210 -6.188 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.867 15.289 -7.080 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.576 14.227 -5.017 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.694 16.393 -6.823 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.438 15.304 -4.761 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.489 16.406 -5.646 1.00 0.00 C ATOM 309 OH TYR A 103 -17.309 17.445 -5.326 1.00 0.00 O ATOM 0 H TYR A 103 -11.308 13.666 -7.635 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.508 13.510 -4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.870 12.895 -7.583 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.325 12.136 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.272 15.270 -7.981 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.509 13.410 -4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.726 17.224 -7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.066 15.291 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.187 18.170 -5.974 1.00 0.00 H new ATOM 319 N PRO A 104 -11.828 10.889 -5.192 1.00 0.00 N ATOM 320 CA PRO A 104 -11.177 9.584 -5.305 1.00 0.00 C ATOM 321 C PRO A 104 -11.807 8.758 -6.436 1.00 0.00 C ATOM 322 O PRO A 104 -13.019 8.821 -6.657 1.00 0.00 O ATOM 323 CB PRO A 104 -11.326 8.945 -3.915 1.00 0.00 C ATOM 324 CG PRO A 104 -12.593 9.588 -3.351 1.00 0.00 C ATOM 325 CD PRO A 104 -12.566 10.998 -3.942 1.00 0.00 C ATOM 0 HA PRO A 104 -10.123 9.652 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.423 7.861 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.460 9.150 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.488 9.043 -3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.583 9.608 -2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.576 11.369 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.082 11.698 -3.261 1.00 0.00 H new ATOM 333 N ALA A 105 -10.986 7.974 -7.136 1.00 0.00 N ATOM 334 CA ALA A 105 -11.376 7.098 -8.235 1.00 0.00 C ATOM 335 C ALA A 105 -10.377 5.942 -8.338 1.00 0.00 C ATOM 336 O ALA A 105 -9.274 6.010 -7.791 1.00 0.00 O ATOM 337 CB ALA A 105 -11.379 7.907 -9.538 1.00 0.00 C ATOM 0 H ALA A 105 -9.986 7.933 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.372 6.693 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.669 7.261 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.089 8.730 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.381 8.306 -9.721 1.00 0.00 H new ATOM 343 N LYS A 106 -10.741 4.893 -9.075 1.00 0.00 N ATOM 344 CA LYS A 106 -9.915 3.718 -9.358 1.00 0.00 C ATOM 345 C LYS A 106 -9.305 3.905 -10.749 1.00 0.00 C ATOM 346 O LYS A 106 -10.031 4.233 -11.686 1.00 0.00 O ATOM 347 CB LYS A 106 -10.849 2.491 -9.272 1.00 0.00 C ATOM 348 CG LYS A 106 -10.183 1.132 -9.545 1.00 0.00 C ATOM 349 CD LYS A 106 -11.177 -0.007 -9.238 1.00 0.00 C ATOM 350 CE LYS A 106 -10.541 -1.387 -9.479 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.476 -2.509 -9.174 1.00 0.00 N ATOM 0 H LYS A 106 -11.661 4.836 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.094 3.579 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.295 2.464 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.664 2.626 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.862 1.076 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.290 1.024 -8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.509 0.067 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.062 0.102 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.220 -1.459 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.648 -1.485 -8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.000 -3.416 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.764 -2.460 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.317 -2.434 -9.781 1.00 0.00 H new ATOM 365 N VAL A 107 -7.996 3.716 -10.916 1.00 0.00 N ATOM 366 CA VAL A 107 -7.361 3.732 -12.239 1.00 0.00 C ATOM 367 C VAL A 107 -7.845 2.507 -13.015 1.00 0.00 C ATOM 368 O VAL A 107 -7.822 1.401 -12.475 1.00 0.00 O ATOM 369 CB VAL A 107 -5.822 3.689 -12.113 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.126 3.749 -13.480 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.246 4.838 -11.290 1.00 0.00 C ATOM 0 H VAL A 107 -7.348 3.549 -10.146 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.631 4.651 -12.759 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.630 2.740 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.046 3.716 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.440 2.899 -14.086 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.398 4.675 -13.986 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.161 4.744 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.508 5.787 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.657 4.804 -10.281 1.00 0.00 H new ATOM 381 N THR A 108 -8.168 2.677 -14.295 1.00 0.00 N ATOM 382 CA THR A 108 -8.482 1.574 -15.195 1.00 0.00 C ATOM 383 C THR A 108 -7.422 1.466 -16.307 1.00 0.00 C ATOM 384 O THR A 108 -7.099 0.351 -16.719 1.00 0.00 O ATOM 385 CB THR A 108 -9.926 1.732 -15.694 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.128 3.032 -16.218 1.00 0.00 O ATOM 387 CG2 THR A 108 -10.929 1.551 -14.548 1.00 0.00 C ATOM 0 H THR A 108 -8.219 3.594 -14.739 1.00 0.00 H new ATOM 0 HA THR A 108 -8.438 0.617 -14.674 1.00 0.00 H new ATOM 0 HB THR A 108 -10.082 0.972 -16.459 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.052 3.118 -16.533 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.943 1.668 -14.930 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.816 0.555 -14.119 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.742 2.301 -13.779 1.00 0.00 H new ATOM 395 N ALA A 109 -6.829 2.585 -16.757 1.00 0.00 N ATOM 396 CA ALA A 109 -5.655 2.605 -17.634 1.00 0.00 C ATOM 397 C ALA A 109 -4.850 3.885 -17.412 1.00 0.00 C ATOM 398 O ALA A 109 -5.367 4.871 -16.885 1.00 0.00 O ATOM 399 CB ALA A 109 -6.076 2.454 -19.108 1.00 0.00 C ATOM 0 H ALA A 109 -7.162 3.518 -16.514 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.016 1.758 -17.385 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.190 2.471 -19.743 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.600 1.508 -19.242 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.736 3.276 -19.384 1.00 0.00 H new ATOM 405 N VAL A 110 -3.603 3.886 -17.873 1.00 0.00 N ATOM 406 CA VAL A 110 -2.705 5.035 -17.882 1.00 0.00 C ATOM 407 C VAL A 110 -2.004 4.989 -19.247 1.00 0.00 C ATOM 408 O VAL A 110 -1.693 3.898 -19.739 1.00 0.00 O ATOM 409 CB VAL A 110 -1.697 4.927 -16.713 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.818 6.185 -16.603 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.388 4.718 -15.359 1.00 0.00 C ATOM 0 H VAL A 110 -3.173 3.050 -18.267 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.230 5.981 -17.746 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.082 4.057 -16.943 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.123 6.072 -15.771 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.258 6.319 -17.528 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.450 7.057 -16.432 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.636 4.649 -14.573 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.050 5.560 -15.155 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.970 3.797 -15.386 1.00 0.00 H new ATOM 421 N ASN A 111 -1.762 6.151 -19.860 1.00 0.00 N ATOM 422 CA ASN A 111 -1.274 6.259 -21.232 1.00 0.00 C ATOM 423 C ASN A 111 -0.070 7.194 -21.210 1.00 0.00 C ATOM 424 O ASN A 111 -0.212 8.364 -20.851 1.00 0.00 O ATOM 425 CB ASN A 111 -2.357 6.847 -22.154 1.00 0.00 C ATOM 426 CG ASN A 111 -3.667 6.062 -22.210 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.679 4.835 -22.242 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.798 6.756 -22.221 1.00 0.00 N ATOM 0 H ASN A 111 -1.903 7.055 -19.408 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.008 5.273 -21.612 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.576 7.863 -21.827 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.952 6.917 -23.163 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.694 6.270 -22.256 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.771 7.775 -22.194 1.00 0.00 H new ATOM 435 N LYS A 112 1.109 6.699 -21.608 1.00 0.00 N ATOM 436 CA LYS A 112 2.372 7.446 -21.527 1.00 0.00 C ATOM 437 C LYS A 112 2.351 8.726 -22.375 1.00 0.00 C ATOM 438 O LYS A 112 3.123 9.645 -22.109 1.00 0.00 O ATOM 439 CB LYS A 112 3.528 6.501 -21.921 1.00 0.00 C ATOM 440 CG LYS A 112 4.951 7.054 -21.719 1.00 0.00 C ATOM 441 CD LYS A 112 5.246 7.473 -20.266 1.00 0.00 C ATOM 442 CE LYS A 112 6.726 7.835 -20.043 1.00 0.00 C ATOM 443 NZ LYS A 112 7.151 9.059 -20.776 1.00 0.00 N ATOM 0 H LYS A 112 1.215 5.762 -21.998 1.00 0.00 H new ATOM 0 HA LYS A 112 2.520 7.787 -20.502 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.432 5.581 -21.344 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.410 6.232 -22.971 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.673 6.297 -22.024 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.095 7.914 -22.373 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.623 8.329 -20.005 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.969 6.661 -19.594 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.901 7.980 -18.977 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.349 6.997 -20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.156 9.247 -20.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.014 8.917 -21.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.580 9.869 -20.460 1.00 0.00 H new ATOM 457 N ASP A 113 1.446 8.811 -23.357 1.00 0.00 N ATOM 458 CA ASP A 113 1.186 10.030 -24.125 1.00 0.00 C ATOM 459 C ASP A 113 0.855 11.228 -23.222 1.00 0.00 C ATOM 460 O ASP A 113 1.211 12.362 -23.552 1.00 0.00 O ATOM 461 CB ASP A 113 0.035 9.787 -25.105 1.00 0.00 C ATOM 462 CG ASP A 113 -0.266 11.051 -25.929 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.544 11.394 -26.826 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.310 11.703 -25.688 1.00 0.00 O ATOM 0 H ASP A 113 0.866 8.022 -23.643 1.00 0.00 H new ATOM 0 HA ASP A 113 2.098 10.274 -24.670 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.290 8.965 -25.774 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.857 9.486 -24.556 1.00 0.00 H new ATOM 469 N GLY A 114 0.222 10.977 -22.069 1.00 0.00 N ATOM 470 CA GLY A 114 -0.062 11.979 -21.044 1.00 0.00 C ATOM 471 C GLY A 114 -1.502 11.917 -20.543 1.00 0.00 C ATOM 472 O GLY A 114 -2.020 12.941 -20.088 1.00 0.00 O ATOM 0 H GLY A 114 -0.114 10.046 -21.821 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.617 11.836 -20.204 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.135 12.972 -21.448 1.00 0.00 H new ATOM 476 N THR A 115 -2.181 10.767 -20.637 1.00 0.00 N ATOM 477 CA THR A 115 -3.604 10.658 -20.332 1.00 0.00 C ATOM 478 C THR A 115 -3.860 9.477 -19.391 1.00 0.00 C ATOM 479 O THR A 115 -2.978 8.659 -19.117 1.00 0.00 O ATOM 480 CB THR A 115 -4.449 10.672 -21.626 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.118 9.595 -22.476 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.246 11.962 -22.432 1.00 0.00 C ATOM 0 H THR A 115 -1.754 9.887 -20.928 1.00 0.00 H new ATOM 0 HA THR A 115 -3.938 11.537 -19.780 1.00 0.00 H new ATOM 0 HB THR A 115 -5.485 10.594 -21.297 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.672 9.633 -23.283 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.859 11.928 -23.333 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.538 12.820 -21.826 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.196 12.056 -22.711 1.00 0.00 H new ATOM 490 N TYR A 116 -5.078 9.417 -18.867 1.00 0.00 N ATOM 491 CA TYR A 116 -5.513 8.544 -17.796 1.00 0.00 C ATOM 492 C TYR A 116 -6.910 8.062 -18.135 1.00 0.00 C ATOM 493 O TYR A 116 -7.675 8.795 -18.757 1.00 0.00 O ATOM 494 CB TYR A 116 -5.593 9.379 -16.508 1.00 0.00 C ATOM 495 CG TYR A 116 -4.456 9.179 -15.533 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.451 8.053 -14.689 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.410 10.118 -15.462 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.426 7.886 -13.742 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.392 9.965 -14.504 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.401 8.851 -13.638 1.00 0.00 C ATOM 501 OH TYR A 116 -1.418 8.718 -12.701 1.00 0.00 O ATOM 0 H TYR A 116 -5.832 10.016 -19.203 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.830 7.704 -17.669 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.634 10.433 -16.781 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.529 9.145 -16.001 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.236 7.316 -14.769 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.389 10.956 -16.143 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.423 7.021 -13.095 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.604 10.700 -14.431 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.570 7.901 -12.181 1.00 0.00 H new ATOM 511 N THR A 117 -7.272 6.889 -17.634 1.00 0.00 N ATOM 512 CA THR A 117 -8.635 6.388 -17.679 1.00 0.00 C ATOM 513 C THR A 117 -8.936 5.936 -16.256 1.00 0.00 C ATOM 514 O THR A 117 -8.106 5.269 -15.626 1.00 0.00 O ATOM 515 CB THR A 117 -8.775 5.262 -18.719 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.039 5.558 -19.899 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.236 5.056 -19.130 1.00 0.00 C ATOM 0 H THR A 117 -6.618 6.252 -17.180 1.00 0.00 H new ATOM 0 HA THR A 117 -9.353 7.143 -17.999 1.00 0.00 H new ATOM 0 HB THR A 117 -8.388 4.360 -18.246 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.144 4.826 -20.542 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.297 4.254 -19.865 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.827 4.791 -18.253 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.625 5.977 -19.565 1.00 0.00 H new ATOM 525 N VAL A 118 -10.080 6.346 -15.716 1.00 0.00 N ATOM 526 CA VAL A 118 -10.439 6.091 -14.328 1.00 0.00 C ATOM 527 C VAL A 118 -11.917 5.722 -14.264 1.00 0.00 C ATOM 528 O VAL A 118 -12.712 6.148 -15.107 1.00 0.00 O ATOM 529 CB VAL A 118 -10.110 7.313 -13.437 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.602 7.607 -13.329 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.808 8.599 -13.901 1.00 0.00 C ATOM 0 H VAL A 118 -10.787 6.868 -16.234 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.851 5.258 -13.941 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.488 7.023 -12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.446 8.476 -12.690 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.093 6.744 -12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.199 7.809 -14.321 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.538 9.420 -13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.494 8.837 -14.917 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.888 8.455 -13.879 1.00 0.00 H new ATOM 541 N LYS A 119 -12.288 4.985 -13.222 1.00 0.00 N ATOM 542 CA LYS A 119 -13.656 4.636 -12.872 1.00 0.00 C ATOM 543 C LYS A 119 -13.930 5.229 -11.500 1.00 0.00 C ATOM 544 O LYS A 119 -13.149 5.011 -10.574 1.00 0.00 O ATOM 545 CB LYS A 119 -13.777 3.102 -12.893 1.00 0.00 C ATOM 546 CG LYS A 119 -15.130 2.586 -12.383 1.00 0.00 C ATOM 547 CD LYS A 119 -15.235 1.069 -12.599 1.00 0.00 C ATOM 548 CE LYS A 119 -16.611 0.565 -12.135 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.785 -0.898 -12.356 1.00 0.00 N ATOM 0 H LYS A 119 -11.608 4.597 -12.568 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.392 5.032 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.623 2.748 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.981 2.675 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.240 2.818 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.941 3.092 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.089 0.833 -13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.446 0.559 -12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.738 0.787 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.392 1.106 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.728 -1.189 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.691 -1.109 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.057 -1.418 -11.825 1.00 0.00 H new ATOM 563 N PHE A 120 -15.012 5.985 -11.362 1.00 0.00 N ATOM 564 CA PHE A 120 -15.501 6.421 -10.063 1.00 0.00 C ATOM 565 C PHE A 120 -16.345 5.283 -9.487 1.00 0.00 C ATOM 566 O PHE A 120 -17.004 4.560 -10.236 1.00 0.00 O ATOM 567 CB PHE A 120 -16.356 7.684 -10.225 1.00 0.00 C ATOM 568 CG PHE A 120 -15.599 8.950 -10.574 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.762 9.557 -9.619 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.736 9.533 -11.850 1.00 0.00 C ATOM 571 CE1 PHE A 120 -14.109 10.763 -9.917 1.00 0.00 C ATOM 572 CE2 PHE A 120 -15.068 10.734 -12.150 1.00 0.00 C ATOM 573 CZ PHE A 120 -14.256 11.352 -11.184 1.00 0.00 C ATOM 0 H PHE A 120 -15.574 6.312 -12.148 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.672 6.657 -9.396 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.098 7.501 -11.002 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.901 7.853 -9.296 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.622 9.093 -8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.354 9.058 -12.597 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.492 11.240 -9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -15.180 11.183 -13.126 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.747 12.276 -11.415 1.00 0.00 H new ATOM 583 N TYR A 121 -16.390 5.163 -8.157 1.00 0.00 N ATOM 584 CA TYR A 121 -17.018 4.021 -7.484 1.00 0.00 C ATOM 585 C TYR A 121 -18.529 3.923 -7.723 1.00 0.00 C ATOM 586 O TYR A 121 -19.094 2.832 -7.632 1.00 0.00 O ATOM 587 CB TYR A 121 -16.702 4.040 -5.980 1.00 0.00 C ATOM 588 CG TYR A 121 -15.250 4.354 -5.664 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.263 3.352 -5.735 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.893 5.666 -5.305 1.00 0.00 C ATOM 591 CE1 TYR A 121 -12.911 3.670 -5.498 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.548 5.989 -5.076 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.548 5.001 -5.201 1.00 0.00 C ATOM 594 OH TYR A 121 -11.245 5.344 -5.031 1.00 0.00 O ATOM 0 H TYR A 121 -15.994 5.852 -7.518 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.585 3.126 -7.932 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.338 4.779 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -16.956 3.070 -5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.543 2.336 -5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.655 6.425 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.156 2.899 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.276 6.998 -4.803 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.679 4.759 -5.577 1.00 0.00 H new ATOM 604 N ASP A 122 -19.182 5.049 -8.042 1.00 0.00 N ATOM 605 CA ASP A 122 -20.613 5.082 -8.357 1.00 0.00 C ATOM 606 C ASP A 122 -20.939 4.356 -9.674 1.00 0.00 C ATOM 607 O ASP A 122 -22.062 3.873 -9.848 1.00 0.00 O ATOM 608 CB ASP A 122 -21.103 6.532 -8.409 1.00 0.00 C ATOM 609 CG ASP A 122 -22.640 6.601 -8.424 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.249 6.349 -7.355 1.00 0.00 O ATOM 611 OD2 ASP A 122 -23.233 6.907 -9.486 1.00 0.00 O ATOM 0 H ASP A 122 -18.730 5.962 -8.088 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.136 4.549 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.720 7.079 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.706 7.021 -9.299 1.00 0.00 H new ATOM 616 N GLY A 123 -19.956 4.238 -10.580 1.00 0.00 N ATOM 617 CA GLY A 123 -20.052 3.463 -11.818 1.00 0.00 C ATOM 618 C GLY A 123 -19.584 4.229 -13.059 1.00 0.00 C ATOM 619 O GLY A 123 -19.341 3.612 -14.097 1.00 0.00 O ATOM 0 H GLY A 123 -19.050 4.693 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.457 2.555 -11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.086 3.151 -11.962 1.00 0.00 H new ATOM 623 N VAL A 124 -19.469 5.560 -12.980 1.00 0.00 N ATOM 624 CA VAL A 124 -19.045 6.416 -14.092 1.00 0.00 C ATOM 625 C VAL A 124 -17.584 6.100 -14.451 1.00 0.00 C ATOM 626 O VAL A 124 -16.773 5.800 -13.574 1.00 0.00 O ATOM 627 CB VAL A 124 -19.267 7.902 -13.704 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.868 8.887 -14.815 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.742 8.173 -13.350 1.00 0.00 C ATOM 0 H VAL A 124 -19.672 6.080 -12.126 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.641 6.223 -14.984 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.622 8.066 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -19.049 9.908 -14.478 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.810 8.763 -15.048 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.462 8.689 -15.707 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.865 9.222 -13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.371 7.941 -14.210 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -21.035 7.547 -12.507 1.00 0.00 H new ATOM 639 N VAL A 125 -17.227 6.218 -15.731 1.00 0.00 N ATOM 640 CA VAL A 125 -15.875 6.008 -16.251 1.00 0.00 C ATOM 641 C VAL A 125 -15.567 7.195 -17.176 1.00 0.00 C ATOM 642 O VAL A 125 -16.472 7.689 -17.856 1.00 0.00 O ATOM 643 CB VAL A 125 -15.803 4.646 -16.989 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.399 4.343 -17.538 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.206 3.466 -16.092 1.00 0.00 C ATOM 0 H VAL A 125 -17.895 6.471 -16.459 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.131 5.966 -15.456 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.511 4.748 -17.812 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.407 3.378 -18.045 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.109 5.121 -18.244 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.685 4.315 -16.715 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.137 2.538 -16.659 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.537 3.417 -15.233 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.230 3.605 -15.746 1.00 0.00 H new ATOM 655 N GLN A 126 -14.310 7.653 -17.207 1.00 0.00 N ATOM 656 CA GLN A 126 -13.879 8.747 -18.078 1.00 0.00 C ATOM 657 C GLN A 126 -12.414 8.567 -18.491 1.00 0.00 C ATOM 658 O GLN A 126 -11.641 7.932 -17.769 1.00 0.00 O ATOM 659 CB GLN A 126 -14.112 10.109 -17.383 1.00 0.00 C ATOM 660 CG GLN A 126 -13.396 10.286 -16.026 1.00 0.00 C ATOM 661 CD GLN A 126 -13.507 11.699 -15.436 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.254 12.555 -15.902 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.751 11.968 -14.380 1.00 0.00 N ATOM 0 H GLN A 126 -13.563 7.273 -16.626 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.479 8.729 -18.988 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.784 10.902 -18.055 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.183 10.243 -17.231 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.811 9.573 -15.313 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.342 10.037 -16.149 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -12.133 11.251 -13.999 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.787 12.892 -13.949 1.00 0.00 H new ATOM 672 N THR A 127 -12.034 9.200 -19.602 1.00 0.00 N ATOM 673 CA THR A 127 -10.649 9.336 -20.048 1.00 0.00 C ATOM 674 C THR A 127 -10.324 10.826 -19.905 1.00 0.00 C ATOM 675 O THR A 127 -11.115 11.677 -20.321 1.00 0.00 O ATOM 676 CB THR A 127 -10.462 8.827 -21.492 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.174 7.616 -21.713 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.985 8.581 -21.812 1.00 0.00 C ATOM 0 H THR A 127 -12.701 9.644 -20.233 1.00 0.00 H new ATOM 0 HA THR A 127 -9.969 8.727 -19.453 1.00 0.00 H new ATOM 0 HB THR A 127 -10.854 9.607 -22.145 1.00 0.00 H new ATOM 0 HG1 THR A 127 -11.037 7.320 -22.637 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.890 8.223 -22.837 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.428 9.511 -21.699 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.584 7.833 -21.128 1.00 0.00 H new ATOM 686 N VAL A 128 -9.196 11.145 -19.275 1.00 0.00 N ATOM 687 CA VAL A 128 -8.821 12.492 -18.849 1.00 0.00 C ATOM 688 C VAL A 128 -7.298 12.649 -18.955 1.00 0.00 C ATOM 689 O VAL A 128 -6.602 11.703 -19.328 1.00 0.00 O ATOM 690 CB VAL A 128 -9.367 12.747 -17.417 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.864 13.095 -17.424 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.144 11.567 -16.453 1.00 0.00 C ATOM 0 H VAL A 128 -8.491 10.447 -19.038 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.265 13.248 -19.497 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.790 13.597 -17.054 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.203 13.265 -16.402 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -11.025 13.997 -18.015 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.427 12.270 -17.860 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.550 11.816 -15.473 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.647 10.681 -16.840 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.076 11.367 -16.363 1.00 0.00 H new ATOM 702 N LYS A 129 -6.754 13.835 -18.674 1.00 0.00 N ATOM 703 CA LYS A 129 -5.338 14.153 -18.895 1.00 0.00 C ATOM 704 C LYS A 129 -4.557 14.048 -17.588 1.00 0.00 C ATOM 705 O LYS A 129 -5.149 14.038 -16.512 1.00 0.00 O ATOM 706 CB LYS A 129 -5.229 15.561 -19.512 1.00 0.00 C ATOM 707 CG LYS A 129 -5.952 15.626 -20.865 1.00 0.00 C ATOM 708 CD LYS A 129 -5.746 16.980 -21.557 1.00 0.00 C ATOM 709 CE LYS A 129 -6.485 17.003 -22.906 1.00 0.00 C ATOM 710 NZ LYS A 129 -6.294 18.290 -23.628 1.00 0.00 N ATOM 0 H LYS A 129 -7.288 14.611 -18.283 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.901 13.435 -19.589 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.659 16.295 -18.830 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.179 15.824 -19.643 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.586 14.828 -21.511 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -7.018 15.452 -20.716 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.114 17.783 -20.918 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.682 17.159 -21.713 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.128 16.182 -23.528 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.549 16.836 -22.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.809 18.261 -24.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.658 19.072 -23.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.281 18.438 -23.812 1.00 0.00 H new ATOM 724 N HIS A 130 -3.223 14.054 -17.662 1.00 0.00 N ATOM 725 CA HIS A 130 -2.348 14.139 -16.485 1.00 0.00 C ATOM 726 C HIS A 130 -2.697 15.360 -15.623 1.00 0.00 C ATOM 727 O HIS A 130 -2.773 15.239 -14.405 1.00 0.00 O ATOM 728 CB HIS A 130 -0.877 14.152 -16.940 1.00 0.00 C ATOM 729 CG HIS A 130 0.144 14.425 -15.854 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.352 15.101 -16.059 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.059 14.067 -14.535 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.959 15.138 -14.860 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.204 14.533 -13.928 1.00 0.00 N ATOM 0 H HIS A 130 -2.715 14.000 -18.545 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.503 13.262 -15.856 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.648 13.188 -17.395 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.763 14.907 -17.718 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.748 13.525 -14.063 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.921 15.592 -14.672 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.439 14.435 -12.940 1.00 0.00 H new ATOM 741 N ILE A 131 -3.016 16.511 -16.230 1.00 0.00 N ATOM 742 CA ILE A 131 -3.442 17.705 -15.484 1.00 0.00 C ATOM 743 C ILE A 131 -4.742 17.501 -14.678 1.00 0.00 C ATOM 744 O ILE A 131 -5.066 18.343 -13.840 1.00 0.00 O ATOM 745 CB ILE A 131 -3.545 18.938 -16.408 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.489 18.709 -17.610 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.136 19.344 -16.861 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.876 20.002 -18.337 1.00 0.00 C ATOM 0 H ILE A 131 -2.987 16.642 -17.241 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.660 17.889 -14.748 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.992 19.754 -15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.007 18.034 -18.317 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.394 18.212 -17.262 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.200 20.214 -17.514 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.530 19.589 -15.989 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.676 18.518 -17.402 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.539 19.767 -19.169 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.386 20.670 -17.644 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.978 20.489 -18.716 1.00 0.00 H new ATOM 760 N HIS A 132 -5.480 16.405 -14.901 1.00 0.00 N ATOM 761 CA HIS A 132 -6.744 16.126 -14.229 1.00 0.00 C ATOM 762 C HIS A 132 -6.627 14.989 -13.210 1.00 0.00 C ATOM 763 O HIS A 132 -7.621 14.690 -12.554 1.00 0.00 O ATOM 764 CB HIS A 132 -7.814 15.736 -15.264 1.00 0.00 C ATOM 765 CG HIS A 132 -8.009 16.686 -16.416 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.216 16.285 -17.739 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.018 18.049 -16.352 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.350 17.425 -18.438 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.240 18.496 -17.634 1.00 0.00 N ATOM 0 H HIS A 132 -5.206 15.680 -15.564 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.024 17.037 -13.700 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.557 14.757 -15.668 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.767 15.627 -14.746 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.879 18.656 -15.470 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.523 17.474 -19.503 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.309 19.471 -17.924 1.00 0.00 H new ATOM 777 N VAL A 133 -5.481 14.302 -13.094 1.00 0.00 N ATOM 778 CA VAL A 133 -5.341 13.112 -12.242 1.00 0.00 C ATOM 779 C VAL A 133 -3.977 13.063 -11.552 1.00 0.00 C ATOM 780 O VAL A 133 -2.944 13.325 -12.168 1.00 0.00 O ATOM 781 CB VAL A 133 -5.589 11.820 -13.063 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.640 10.570 -12.170 1.00 0.00 C ATOM 783 CG2 VAL A 133 -6.896 11.867 -13.865 1.00 0.00 C ATOM 0 H VAL A 133 -4.625 14.556 -13.588 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.098 13.178 -11.460 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.743 11.761 -13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.816 9.689 -12.787 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.692 10.461 -11.643 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.448 10.673 -11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.016 10.936 -14.420 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.737 11.994 -13.183 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -6.865 12.704 -14.563 1.00 0.00 H new ATOM 793 N LYS A 134 -3.958 12.638 -10.283 1.00 0.00 N ATOM 794 CA LYS A 134 -2.731 12.366 -9.530 1.00 0.00 C ATOM 795 C LYS A 134 -2.965 11.239 -8.522 1.00 0.00 C ATOM 796 O LYS A 134 -4.074 10.715 -8.435 1.00 0.00 O ATOM 797 CB LYS A 134 -2.197 13.681 -8.921 1.00 0.00 C ATOM 798 CG LYS A 134 -3.153 14.373 -7.933 1.00 0.00 C ATOM 799 CD LYS A 134 -2.513 15.668 -7.401 1.00 0.00 C ATOM 800 CE LYS A 134 -3.405 16.350 -6.350 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.760 17.574 -5.782 1.00 0.00 N ATOM 0 H LYS A 134 -4.808 12.471 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 134 -1.944 11.999 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.258 13.472 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.971 14.374 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.098 14.601 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.380 13.703 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.541 15.441 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.336 16.354 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.359 16.619 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.621 15.647 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.484 18.174 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.056 17.296 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.291 18.104 -6.544 1.00 0.00 H new ATOM 815 N ALA A 135 -1.927 10.837 -7.782 1.00 0.00 N ATOM 816 CA ALA A 135 -2.023 9.846 -6.706 1.00 0.00 C ATOM 817 C ALA A 135 -3.004 10.320 -5.624 1.00 0.00 C ATOM 818 O ALA A 135 -3.396 11.487 -5.603 1.00 0.00 O ATOM 819 CB ALA A 135 -0.621 9.638 -6.108 1.00 0.00 C ATOM 0 H ALA A 135 -0.982 11.197 -7.916 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.398 8.903 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.673 8.903 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.056 9.280 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.251 10.583 -5.711 1.00 0.00 H new ATOM 825 N PHE A 136 -3.380 9.430 -4.691 1.00 0.00 N ATOM 826 CA PHE A 136 -4.125 9.888 -3.515 1.00 0.00 C ATOM 827 C PHE A 136 -3.229 10.753 -2.608 1.00 0.00 C ATOM 828 O PHE A 136 -3.737 11.540 -1.808 1.00 0.00 O ATOM 829 CB PHE A 136 -4.780 8.723 -2.762 1.00 0.00 C ATOM 830 CG PHE A 136 -5.802 9.188 -1.736 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.924 9.938 -2.148 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.639 8.883 -0.370 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.846 10.422 -1.204 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.578 9.343 0.572 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.673 10.123 0.158 1.00 0.00 C ATOM 0 H PHE A 136 -3.189 8.429 -4.726 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.945 10.519 -3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -5.266 8.060 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.008 8.140 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -7.076 10.142 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.793 8.296 -0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.685 11.022 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.457 9.096 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.380 10.492 0.886 1.00 0.00 H new ATOM 845 N SER A 137 -1.903 10.680 -2.775 1.00 0.00 N ATOM 846 CA SER A 137 -0.960 11.585 -2.149 1.00 0.00 C ATOM 847 C SER A 137 -1.217 13.007 -2.653 1.00 0.00 C ATOM 848 O SER A 137 -1.183 13.250 -3.863 1.00 0.00 O ATOM 849 CB SER A 137 0.456 11.149 -2.535 1.00 0.00 C ATOM 850 OG SER A 137 0.599 9.750 -2.369 1.00 0.00 O ATOM 0 H SER A 137 -1.458 9.974 -3.361 1.00 0.00 H new ATOM 0 HA SER A 137 -1.074 11.564 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.659 11.422 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.186 11.672 -1.918 1.00 0.00 H new ATOM 0 HG SER A 137 0.414 9.299 -3.219 1.00 0.00 H new ATOM 856 N LYS A 138 -1.443 13.958 -1.733 1.00 0.00 N ATOM 857 CA LYS A 138 -1.719 15.336 -2.133 1.00 0.00 C ATOM 858 C LYS A 138 -0.566 15.954 -2.936 1.00 0.00 C ATOM 859 O LYS A 138 -0.807 16.783 -3.812 1.00 0.00 O ATOM 860 CB LYS A 138 -2.086 16.210 -0.914 1.00 0.00 C ATOM 861 CG LYS A 138 -0.974 16.341 0.147 1.00 0.00 C ATOM 862 CD LYS A 138 -1.362 17.225 1.341 1.00 0.00 C ATOM 863 CE LYS A 138 -2.486 16.615 2.193 1.00 0.00 C ATOM 864 NZ LYS A 138 -2.779 17.434 3.401 1.00 0.00 N ATOM 0 H LYS A 138 -1.439 13.797 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.583 15.305 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.352 17.207 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.974 15.792 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -0.713 15.347 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -0.081 16.753 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.485 17.387 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -1.678 18.202 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -3.389 16.524 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -2.203 15.608 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -3.543 16.987 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.925 17.500 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -3.074 18.388 3.110 1.00 0.00 H new ATOM 878 N ASP A 139 0.671 15.553 -2.625 1.00 0.00 N ATOM 879 CA ASP A 139 1.899 16.180 -3.110 1.00 0.00 C ATOM 880 C ASP A 139 2.103 16.080 -4.626 1.00 0.00 C ATOM 881 O ASP A 139 2.154 17.111 -5.300 1.00 0.00 O ATOM 882 CB ASP A 139 3.099 15.569 -2.372 1.00 0.00 C ATOM 883 CG ASP A 139 4.435 16.160 -2.859 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.605 17.402 -2.807 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.314 15.379 -3.291 1.00 0.00 O ATOM 0 H ASP A 139 0.848 14.759 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 139 1.810 17.246 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.994 15.744 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.104 14.489 -2.520 1.00 0.00 H new ATOM 890 N GLN A 140 2.212 14.863 -5.173 1.00 0.00 N ATOM 891 CA GLN A 140 2.624 14.612 -6.557 1.00 0.00 C ATOM 892 C GLN A 140 2.037 13.290 -7.061 1.00 0.00 C ATOM 893 O GLN A 140 1.549 12.471 -6.281 1.00 0.00 O ATOM 894 CB GLN A 140 4.167 14.522 -6.621 1.00 0.00 C ATOM 895 CG GLN A 140 4.899 15.871 -6.641 1.00 0.00 C ATOM 896 CD GLN A 140 6.415 15.665 -6.665 1.00 0.00 C ATOM 897 OE1 GLN A 140 7.052 15.725 -7.715 1.00 0.00 O ATOM 898 NE2 GLN A 140 7.023 15.417 -5.515 1.00 0.00 N ATOM 0 H GLN A 140 2.012 14.008 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 140 2.261 15.428 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.518 13.949 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.446 13.962 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.591 16.444 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.620 16.454 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.482 15.370 -4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.033 15.273 -5.493 1.00 0.00 H new ATOM 907 N ASN A 141 2.115 13.072 -8.379 1.00 0.00 N ATOM 908 CA ASN A 141 1.812 11.785 -9.012 1.00 0.00 C ATOM 909 C ASN A 141 2.957 10.794 -8.725 1.00 0.00 C ATOM 910 O ASN A 141 4.021 11.196 -8.252 1.00 0.00 O ATOM 911 CB ASN A 141 1.617 12.003 -10.530 1.00 0.00 C ATOM 912 CG ASN A 141 0.741 10.947 -11.184 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.005 9.761 -11.071 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.313 11.308 -11.880 1.00 0.00 N ATOM 0 H ASN A 141 2.394 13.794 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 141 0.892 11.365 -8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.174 12.985 -10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.592 12.008 -11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.901 10.600 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.543 12.297 -11.981 1.00 0.00 H new ATOM 921 N ILE A 142 2.757 9.512 -9.039 1.00 0.00 N ATOM 922 CA ILE A 142 3.724 8.430 -8.861 1.00 0.00 C ATOM 923 C ILE A 142 3.855 7.576 -10.144 1.00 0.00 C ATOM 924 O ILE A 142 4.826 6.827 -10.264 1.00 0.00 O ATOM 925 CB ILE A 142 3.326 7.660 -7.568 1.00 0.00 C ATOM 926 CG1 ILE A 142 4.134 8.219 -6.373 1.00 0.00 C ATOM 927 CG2 ILE A 142 3.459 6.132 -7.654 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.562 7.863 -4.997 1.00 0.00 C ATOM 0 H ILE A 142 1.878 9.187 -9.442 1.00 0.00 H new ATOM 0 HA ILE A 142 4.737 8.803 -8.714 1.00 0.00 H new ATOM 0 HB ILE A 142 2.259 7.831 -7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 142 5.156 7.845 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 142 4.185 9.304 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.159 5.687 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 142 2.818 5.755 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.495 5.868 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 142 4.191 8.295 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 142 2.551 8.261 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 142 3.537 6.779 -4.883 1.00 0.00 H new ATOM 940 N VAL A 143 2.945 7.691 -11.126 1.00 0.00 N ATOM 941 CA VAL A 143 2.971 6.877 -12.346 1.00 0.00 C ATOM 942 C VAL A 143 2.752 7.728 -13.606 1.00 0.00 C ATOM 943 O VAL A 143 3.474 7.539 -14.584 1.00 0.00 O ATOM 944 CB VAL A 143 2.007 5.679 -12.194 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.529 6.082 -12.081 1.00 0.00 C ATOM 946 CG2 VAL A 143 2.159 4.655 -13.325 1.00 0.00 C ATOM 0 H VAL A 143 2.170 8.354 -11.093 1.00 0.00 H new ATOM 0 HA VAL A 143 3.966 6.454 -12.485 1.00 0.00 H new ATOM 0 HB VAL A 143 2.303 5.221 -11.250 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.085 5.187 -11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.392 6.720 -11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.230 6.625 -12.978 1.00 0.00 H new ATOM 0 HG21 VAL A 143 1.459 3.834 -13.169 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.949 5.135 -14.281 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.178 4.267 -13.330 1.00 0.00 H new ATOM 956 N GLY A 144 1.839 8.712 -13.579 1.00 0.00 N ATOM 957 CA GLY A 144 1.720 9.705 -14.651 1.00 0.00 C ATOM 958 C GLY A 144 2.995 10.550 -14.757 1.00 0.00 C ATOM 959 O GLY A 144 3.369 10.990 -15.844 1.00 0.00 O ATOM 0 H GLY A 144 1.170 8.839 -12.820 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.532 9.202 -15.599 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.864 10.353 -14.459 1.00 0.00 H new ATOM 963 N ASN A 145 3.682 10.735 -13.622 1.00 0.00 N ATOM 964 CA ASN A 145 5.018 11.306 -13.480 1.00 0.00 C ATOM 965 C ASN A 145 5.605 10.654 -12.226 1.00 0.00 C ATOM 966 O ASN A 145 4.846 10.311 -11.314 1.00 0.00 O ATOM 967 CB ASN A 145 4.950 12.835 -13.321 1.00 0.00 C ATOM 968 CG ASN A 145 6.327 13.481 -13.123 1.00 0.00 C ATOM 969 OD1 ASN A 145 7.349 12.981 -13.589 1.00 0.00 O ATOM 970 ND2 ASN A 145 6.389 14.608 -12.431 1.00 0.00 N ATOM 0 H ASN A 145 3.287 10.470 -12.720 1.00 0.00 H new ATOM 0 HA ASN A 145 5.632 11.118 -14.361 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.477 13.265 -14.204 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.315 13.078 -12.469 1.00 0.00 H new ATOM 0 HD21 ASN A 145 7.288 15.066 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 145 5.538 15.018 -12.047 1.00 0.00 H new ATOM 977 N ALA A 146 6.920 10.456 -12.181 1.00 0.00 N ATOM 978 CA ALA A 146 7.621 9.899 -11.030 1.00 0.00 C ATOM 979 C ALA A 146 7.893 10.999 -9.985 1.00 0.00 C ATOM 980 O ALA A 146 7.370 12.108 -10.087 1.00 0.00 O ATOM 981 CB ALA A 146 8.918 9.245 -11.536 1.00 0.00 C ATOM 0 H ALA A 146 7.539 10.683 -12.959 1.00 0.00 H new ATOM 0 HA ALA A 146 7.013 9.143 -10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 146 9.463 8.819 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 146 8.674 8.455 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.537 9.996 -12.027 1.00 0.00 H new ATOM 987 N ARG A 147 8.752 10.695 -8.998 1.00 0.00 N ATOM 988 CA ARG A 147 9.342 11.616 -8.006 1.00 0.00 C ATOM 989 C ARG A 147 8.398 12.006 -6.858 1.00 0.00 C ATOM 990 O ARG A 147 8.839 12.694 -5.932 1.00 0.00 O ATOM 991 CB ARG A 147 9.993 12.856 -8.668 1.00 0.00 C ATOM 992 CG ARG A 147 11.023 12.522 -9.768 1.00 0.00 C ATOM 993 CD ARG A 147 10.686 13.164 -11.123 1.00 0.00 C ATOM 994 NE ARG A 147 10.823 14.631 -11.094 1.00 0.00 N ATOM 995 CZ ARG A 147 10.471 15.477 -12.073 1.00 0.00 C ATOM 996 NH1 ARG A 147 9.909 15.025 -13.195 1.00 0.00 N ATOM 997 NH2 ARG A 147 10.685 16.782 -11.925 1.00 0.00 N ATOM 0 H ARG A 147 9.075 9.737 -8.861 1.00 0.00 H new ATOM 0 HA ARG A 147 10.137 11.039 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.208 13.478 -9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.483 13.450 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 147 12.009 12.858 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 147 11.079 11.440 -9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 147 11.343 12.755 -11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.666 12.902 -11.404 1.00 0.00 H new ATOM 0 HE ARG A 147 11.223 15.041 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 147 9.743 14.026 -13.315 1.00 0.00 H new ATOM 0 HH12 ARG A 147 9.646 15.678 -13.933 1.00 0.00 H new ATOM 0 HH21 ARG A 147 11.115 17.135 -11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 147 10.419 17.430 -12.667 1.00 0.00 H new ATOM 1011 N GLY A 200 7.141 11.556 -6.869 1.00 0.00 N ATOM 1012 CA GLY A 200 6.241 11.687 -5.727 1.00 0.00 C ATOM 1013 C GLY A 200 6.500 10.614 -4.675 1.00 0.00 C ATOM 1014 O GLY A 200 7.361 9.741 -4.828 1.00 0.00 O ATOM 0 H GLY A 200 6.720 11.090 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 200 6.364 12.673 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 200 5.208 11.619 -6.069 1.00 0.00 H new ATOM 1018 N SER A 201 5.711 10.703 -3.604 1.00 0.00 N ATOM 1019 CA SER A 201 5.867 9.958 -2.363 1.00 0.00 C ATOM 1020 C SER A 201 4.474 9.695 -1.778 1.00 0.00 C ATOM 1021 O SER A 201 3.527 10.422 -2.087 1.00 0.00 O ATOM 1022 CB SER A 201 6.701 10.836 -1.420 1.00 0.00 C ATOM 1023 OG SER A 201 8.063 10.900 -1.835 1.00 0.00 O ATOM 0 H SER A 201 4.906 11.329 -3.582 1.00 0.00 H new ATOM 0 HA SER A 201 6.363 8.999 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.281 11.841 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 201 6.646 10.438 -0.407 1.00 0.00 H new ATOM 0 HG SER A 201 8.567 11.468 -1.216 1.00 0.00 H new ATOM 1029 N ARG A 363 4.325 8.646 -0.960 1.00 0.00 N ATOM 1030 CA ARG A 363 3.033 8.294 -0.367 1.00 0.00 C ATOM 1031 C ARG A 363 2.603 9.389 0.615 1.00 0.00 C ATOM 1032 O ARG A 363 3.383 9.772 1.492 1.00 0.00 O ATOM 1033 CB ARG A 363 3.129 6.915 0.316 1.00 0.00 C ATOM 1034 CG ARG A 363 1.752 6.419 0.789 1.00 0.00 C ATOM 1035 CD ARG A 363 1.843 5.020 1.405 1.00 0.00 C ATOM 1036 NE ARG A 363 0.511 4.524 1.796 1.00 0.00 N ATOM 1037 CZ ARG A 363 -0.090 4.646 2.987 1.00 0.00 C ATOM 1038 NH1 ARG A 363 0.499 5.290 3.994 1.00 0.00 N ATOM 1039 NH2 ARG A 363 -1.296 4.115 3.159 1.00 0.00 N ATOM 0 H ARG A 363 5.089 8.024 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 363 2.272 8.225 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 363 3.557 6.193 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.806 6.977 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 363 1.345 7.115 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 363 1.060 6.403 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 363 2.295 4.333 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 363 2.496 5.045 2.278 1.00 0.00 H new ATOM 0 HE ARG A 363 -0.015 4.030 1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 363 1.424 5.701 3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 363 0.025 5.372 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 363 -1.751 3.623 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 363 -1.767 4.199 4.060 1.00 0.00 H new ATOM 1053 N ALA A 364 1.358 9.850 0.493 1.00 0.00 N ATOM 1054 CA ALA A 364 0.666 10.731 1.428 1.00 0.00 C ATOM 1055 C ALA A 364 -0.845 10.473 1.259 1.00 0.00 C ATOM 1056 O ALA A 364 -1.240 9.431 0.729 1.00 0.00 O ATOM 1057 CB ALA A 364 1.062 12.196 1.165 1.00 0.00 C ATOM 0 H ALA A 364 0.775 9.604 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 364 0.945 10.529 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.540 12.846 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.138 12.311 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 364 0.788 12.470 0.146 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.693 11.423 1.654 1.00 0.00 N ATOM 1064 CA HIS A 365 -3.143 11.372 1.445 1.00 0.00 C ATOM 1065 C HIS A 365 -3.676 12.774 1.162 1.00 0.00 C ATOM 1066 O HIS A 365 -2.883 13.717 1.095 1.00 0.00 O ATOM 1067 CB HIS A 365 -3.820 10.723 2.667 1.00 0.00 C ATOM 1068 CG HIS A 365 -3.638 11.495 3.956 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -4.417 12.582 4.372 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -2.685 11.244 4.902 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.912 12.954 5.562 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -2.873 12.171 5.901 1.00 0.00 N ATOM 0 H HIS A 365 -1.387 12.267 2.138 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.375 10.756 0.576 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.886 10.619 2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -3.421 9.717 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.932 10.470 4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -4.289 13.769 6.162 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -2.319 12.251 6.753 1.00 0.00 H new ATOM 1080 N SER A 366 -4.988 12.903 0.962 1.00 0.00 N ATOM 1081 CA SER A 366 -5.664 14.148 0.618 1.00 0.00 C ATOM 1082 C SER A 366 -7.019 14.230 1.333 1.00 0.00 C ATOM 1083 O SER A 366 -7.622 13.206 1.665 1.00 0.00 O ATOM 1084 CB SER A 366 -5.890 14.205 -0.895 1.00 0.00 C ATOM 1085 OG SER A 366 -4.683 14.094 -1.619 1.00 0.00 O ATOM 0 H SER A 366 -5.629 12.114 1.039 1.00 0.00 H new ATOM 0 HA SER A 366 -5.042 14.986 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.564 13.401 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 366 -6.381 15.144 -1.152 1.00 0.00 H new ATOM 0 HG SER A 366 -4.386 13.160 -1.618 1.00 0.00 H new ATOM 1091 N SER A 367 -7.514 15.456 1.532 1.00 0.00 N ATOM 1092 CA SER A 367 -8.777 15.707 2.224 1.00 0.00 C ATOM 1093 C SER A 367 -10.003 15.510 1.316 1.00 0.00 C ATOM 1094 O SER A 367 -11.101 15.262 1.820 1.00 0.00 O ATOM 1095 CB SER A 367 -8.757 17.142 2.774 1.00 0.00 C ATOM 1096 OG SER A 367 -7.525 17.416 3.442 1.00 0.00 O ATOM 0 H SER A 367 -7.045 16.305 1.215 1.00 0.00 H new ATOM 0 HA SER A 367 -8.869 14.981 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.898 17.850 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 367 -9.589 17.282 3.465 1.00 0.00 H new ATOM 0 HG SER A 367 -7.535 18.335 3.782 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.842 15.638 -0.011 1.00 0.00 N ATOM 1103 CA HIS A 368 -10.949 15.547 -0.966 1.00 0.00 C ATOM 1104 C HIS A 368 -11.505 14.121 -0.973 1.00 0.00 C ATOM 1105 O HIS A 368 -10.769 13.173 -1.254 1.00 0.00 O ATOM 1106 CB HIS A 368 -10.492 15.951 -2.380 1.00 0.00 C ATOM 1107 CG HIS A 368 -9.984 17.368 -2.469 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -10.720 18.520 -2.167 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -8.724 17.733 -2.850 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -9.871 19.550 -2.344 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -8.674 19.106 -2.766 1.00 0.00 N ATOM 0 H HIS A 368 -8.937 15.808 -0.449 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.733 16.238 -0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -9.705 15.271 -2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.326 15.829 -3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -7.925 17.074 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -10.117 20.587 -2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -7.866 19.688 -2.987 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.802 13.969 -0.688 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.528 12.701 -0.644 1.00 0.00 C ATOM 1121 C LEU A 369 -14.964 12.973 -1.113 1.00 0.00 C ATOM 1122 O LEU A 369 -15.480 14.075 -0.919 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.569 12.131 0.791 1.00 0.00 C ATOM 1124 CG LEU A 369 -12.229 11.613 1.358 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -12.412 11.231 2.832 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.698 10.395 0.591 1.00 0.00 C ATOM 0 H LEU A 369 -13.400 14.766 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.027 11.974 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.946 12.907 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -14.290 11.314 0.814 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.501 12.417 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -11.467 10.865 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.732 12.106 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -13.168 10.450 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.754 10.071 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -12.423 9.583 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.539 10.664 -0.453 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.612 11.963 -1.705 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.022 12.027 -2.097 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.325 10.953 -3.160 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.258 10.919 -4.265 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.251 9.645 -5.124 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.533 9.408 -5.945 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.632 10.247 -7.183 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.642 11.732 -6.994 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -18.757 9.806 -8.071 1.00 0.00 C HETATM 1147 C M2L A 370 -17.922 11.812 -0.871 1.00 0.00 C HETATM 1148 O M2L A 370 -17.465 11.363 0.181 1.00 0.00 O HETATM 0 HM2B M2L A 370 -18.598 8.771 -8.373 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -19.700 9.885 -7.530 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -18.496 12.015 -6.378 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -16.721 12.042 -6.501 1.00 0.00 H new HETATM 0 HN M2L A 370 -14.995 11.271 -2.131 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -18.792 10.441 -8.956 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.717 12.222 -7.965 1.00 0.00 H new HETATM 0 HEA M2L A 370 -17.581 8.356 -6.227 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.398 9.609 -5.313 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.403 9.690 -5.807 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.090 8.786 -4.472 1.00 0.00 H new HETATM 0 HBA M2L A 370 -17.382 9.975 -2.681 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.301 11.148 -3.604 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.223 13.012 -2.518 1.00 0.00 H new ATOM 1164 N SER A 371 -19.227 12.064 -1.041 1.00 0.00 N ATOM 1165 CA SER A 371 -20.261 11.898 -0.011 1.00 0.00 C ATOM 1166 C SER A 371 -20.499 10.430 0.404 1.00 0.00 C ATOM 1167 O SER A 371 -21.149 10.184 1.422 1.00 0.00 O ATOM 1168 CB SER A 371 -21.570 12.512 -0.535 1.00 0.00 C ATOM 1169 OG SER A 371 -21.361 13.804 -1.101 1.00 0.00 O ATOM 0 H SER A 371 -19.604 12.400 -1.927 1.00 0.00 H new ATOM 0 HA SER A 371 -19.911 12.407 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 371 -22.005 11.853 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 371 -22.289 12.585 0.281 1.00 0.00 H new ATOM 0 HG SER A 371 -22.214 14.161 -1.424 1.00 0.00 H new ATOM 1175 N LYS A 372 -19.960 9.459 -0.355 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.099 8.016 -0.094 1.00 0.00 C ATOM 1177 C LYS A 372 -18.747 7.303 0.069 1.00 0.00 C ATOM 1178 O LYS A 372 -18.679 6.078 -0.036 1.00 0.00 O ATOM 1179 CB LYS A 372 -21.037 7.376 -1.144 1.00 0.00 C ATOM 1180 CG LYS A 372 -20.539 7.442 -2.604 1.00 0.00 C ATOM 1181 CD LYS A 372 -21.442 6.664 -3.579 1.00 0.00 C ATOM 1182 CE LYS A 372 -22.856 7.264 -3.692 1.00 0.00 C ATOM 1183 NZ LYS A 372 -23.740 6.487 -4.601 1.00 0.00 N ATOM 0 H LYS A 372 -19.403 9.661 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 372 -20.575 7.884 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -21.193 6.331 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -22.008 7.868 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -20.486 8.484 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -19.526 7.042 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -20.978 6.651 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -21.517 5.628 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -23.308 7.306 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -22.783 8.290 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -24.712 6.852 -4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -23.400 6.580 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -23.728 5.485 -4.324 1.00 0.00 H new ATOM 1197 N LYS A 373 -17.668 8.058 0.328 1.00 0.00 N ATOM 1198 CA LYS A 373 -16.310 7.540 0.566 1.00 0.00 C ATOM 1199 C LYS A 373 -15.719 8.141 1.858 1.00 0.00 C ATOM 1200 O LYS A 373 -14.501 8.112 2.052 1.00 0.00 O ATOM 1201 CB LYS A 373 -15.413 7.822 -0.660 1.00 0.00 C ATOM 1202 CG LYS A 373 -15.806 7.075 -1.946 1.00 0.00 C ATOM 1203 CD LYS A 373 -15.702 5.539 -1.889 1.00 0.00 C ATOM 1204 CE LYS A 373 -14.259 5.044 -1.675 1.00 0.00 C ATOM 1205 NZ LYS A 373 -14.162 3.558 -1.713 1.00 0.00 N ATOM 0 H LYS A 373 -17.717 9.076 0.379 1.00 0.00 H new ATOM 0 HA LYS A 373 -16.359 6.460 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.428 8.893 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -14.386 7.560 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -16.832 7.341 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -15.174 7.433 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -16.332 5.167 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -16.091 5.119 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -13.613 5.468 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -13.891 5.406 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -13.174 3.271 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -14.757 3.152 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -14.488 3.212 -2.638 1.00 0.00 H new ATOM 1219 N GLY A 374 -16.553 8.701 2.733 1.00 0.00 N ATOM 1220 CA GLY A 374 -16.159 9.339 3.980 1.00 0.00 C ATOM 1221 C GLY A 374 -17.411 9.758 4.743 1.00 0.00 C ATOM 1222 O GLY A 374 -17.278 10.561 5.691 1.00 0.00 O ATOM 1223 OXT GLY A 374 -18.518 9.287 4.390 1.00 0.00 O ATOM 0 H GLY A 374 -17.562 8.721 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -15.564 8.652 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -15.534 10.208 3.777 1.00 0.00 H new TER 1227 GLY A 374