USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, 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 NoAdj-H: A 370 M2L HN : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 116 TYR OH : rot 0:sc= 0.605 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.7 K(o=2.3,f=-9.4!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.633 X(o=1,f=0.83) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 84 SER OG : rot 27:sc= 0.079 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.0997 K(o=-0.1,f=-2.6!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 33:sc= 0.627 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00856 USER MOD Single : A 100 SER OG : rot -71:sc= 2.08 USER MOD Single : A 103 TYR OH : rot -7:sc= 1.19 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0169 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= 0.7 K(o=0.7,f=-0.38) 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= -0.111 X(o=-0.11,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.677 K(o=0.68,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ 172:sc= 1.07 (180deg=1.02) USER MOD Single : A 137 SER OG : rot 68:sc= 0.3 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 145 ASN : amide:sc= 0.381 K(o=0.38,f=-4.6!) 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=-0.0052) USER MOD Single : A 366 SER OG : rot 180:sc= -0.102 USER MOD Single : A 367 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 368 HIS : no HD1:sc= 0.679 K(o=0.68,f=-3.3!) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 2.048 -0.434 0.837 1.00 0.00 N ATOM 2 CA SER A 84 2.902 0.708 0.420 1.00 0.00 C ATOM 3 C SER A 84 2.134 1.647 -0.525 1.00 0.00 C ATOM 4 O SER A 84 1.399 1.184 -1.402 1.00 0.00 O ATOM 5 CB SER A 84 4.214 0.212 -0.225 1.00 0.00 C ATOM 6 OG SER A 84 4.923 -0.652 0.660 1.00 0.00 O ATOM 0 HA SER A 84 3.168 1.276 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.991 -0.315 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.840 1.065 -0.486 1.00 0.00 H new ATOM 0 HG SER A 84 4.291 -1.082 1.274 1.00 0.00 H new ATOM 12 N SER A 85 2.286 2.965 -0.352 1.00 0.00 N ATOM 13 CA SER A 85 1.626 3.999 -1.151 1.00 0.00 C ATOM 14 C SER A 85 2.295 4.140 -2.524 1.00 0.00 C ATOM 15 O SER A 85 3.059 5.072 -2.785 1.00 0.00 O ATOM 16 CB SER A 85 1.587 5.314 -0.359 1.00 0.00 C ATOM 17 OG SER A 85 1.060 5.077 0.945 1.00 0.00 O ATOM 0 H SER A 85 2.892 3.352 0.372 1.00 0.00 H new ATOM 0 HA SER A 85 0.594 3.709 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.590 5.735 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.972 6.046 -0.882 1.00 0.00 H new ATOM 0 HG SER A 85 1.039 5.918 1.447 1.00 0.00 H new ATOM 23 N GLU A 86 2.004 3.177 -3.394 1.00 0.00 N ATOM 24 CA GLU A 86 2.328 3.178 -4.809 1.00 0.00 C ATOM 25 C GLU A 86 1.015 2.813 -5.501 1.00 0.00 C ATOM 26 O GLU A 86 0.330 1.878 -5.077 1.00 0.00 O ATOM 27 CB GLU A 86 3.425 2.154 -5.131 1.00 0.00 C ATOM 28 CG GLU A 86 4.796 2.535 -4.557 1.00 0.00 C ATOM 29 CD GLU A 86 5.862 1.483 -4.914 1.00 0.00 C ATOM 30 OE1 GLU A 86 6.468 1.572 -6.010 1.00 0.00 O ATOM 31 OE2 GLU A 86 6.107 0.555 -4.101 1.00 0.00 O ATOM 0 H GLU A 86 1.509 2.331 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 86 2.718 4.140 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.131 1.181 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.508 2.048 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.098 3.508 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.725 2.632 -3.474 1.00 0.00 H new ATOM 38 N PHE A 87 0.676 3.540 -6.565 1.00 0.00 N ATOM 39 CA PHE A 87 -0.629 3.487 -7.211 1.00 0.00 C ATOM 40 C PHE A 87 -0.474 3.029 -8.657 1.00 0.00 C ATOM 41 O PHE A 87 0.451 3.455 -9.342 1.00 0.00 O ATOM 42 CB PHE A 87 -1.254 4.886 -7.125 1.00 0.00 C ATOM 43 CG PHE A 87 -1.161 5.499 -5.734 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.101 5.158 -4.748 1.00 0.00 C ATOM 45 CD2 PHE A 87 -0.130 6.406 -5.420 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.016 5.712 -3.459 1.00 0.00 C ATOM 47 CE2 PHE A 87 -0.046 6.961 -4.131 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.993 6.622 -3.150 1.00 0.00 C ATOM 0 H PHE A 87 1.318 4.196 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.282 2.770 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.758 5.543 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.302 4.828 -7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.895 4.465 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.598 6.676 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.739 5.437 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.750 7.651 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.934 7.059 -2.164 1.00 0.00 H new ATOM 58 N GLN A 88 -1.358 2.144 -9.115 1.00 0.00 N ATOM 59 CA GLN A 88 -1.335 1.525 -10.438 1.00 0.00 C ATOM 60 C GLN A 88 -2.777 1.336 -10.932 1.00 0.00 C ATOM 61 O GLN A 88 -3.726 1.784 -10.287 1.00 0.00 O ATOM 62 CB GLN A 88 -0.601 0.157 -10.423 1.00 0.00 C ATOM 63 CG GLN A 88 0.677 0.021 -9.572 1.00 0.00 C ATOM 64 CD GLN A 88 0.414 -0.070 -8.062 1.00 0.00 C ATOM 65 OE1 GLN A 88 -0.690 -0.355 -7.600 1.00 0.00 O ATOM 66 NE2 GLN A 88 1.425 0.176 -7.248 1.00 0.00 N ATOM 0 H GLN A 88 -2.144 1.825 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.788 2.184 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.310 -0.597 -10.080 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.343 -0.093 -11.452 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.220 -0.869 -9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.324 0.876 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.341 0.412 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.290 0.129 -6.238 1.00 0.00 H new ATOM 75 N ILE A 89 -2.954 0.668 -12.078 1.00 0.00 N ATOM 76 CA ILE A 89 -4.273 0.230 -12.534 1.00 0.00 C ATOM 77 C ILE A 89 -4.923 -0.578 -11.398 1.00 0.00 C ATOM 78 O ILE A 89 -4.248 -1.334 -10.692 1.00 0.00 O ATOM 79 CB ILE A 89 -4.164 -0.558 -13.864 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.540 0.340 -14.961 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.540 -1.085 -14.312 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.288 -0.359 -16.304 1.00 0.00 C ATOM 0 H ILE A 89 -2.192 0.419 -12.709 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.912 1.084 -12.757 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.516 -1.419 -13.701 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.198 1.192 -15.130 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.594 0.736 -14.591 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.432 -1.634 -15.248 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.942 -1.748 -13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.220 -0.246 -14.459 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.850 0.350 -17.007 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.603 -1.194 -16.157 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.232 -0.730 -16.704 1.00 0.00 H new ATOM 94 N ASN A 90 -6.242 -0.418 -11.250 1.00 0.00 N ATOM 95 CA ASN A 90 -7.076 -1.001 -10.201 1.00 0.00 C ATOM 96 C ASN A 90 -6.678 -0.540 -8.787 1.00 0.00 C ATOM 97 O ASN A 90 -7.025 -1.206 -7.812 1.00 0.00 O ATOM 98 CB ASN A 90 -7.207 -2.538 -10.345 1.00 0.00 C ATOM 99 CG ASN A 90 -7.971 -2.964 -11.595 1.00 0.00 C ATOM 100 OD1 ASN A 90 -9.007 -2.392 -11.926 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.490 -3.967 -12.314 1.00 0.00 N ATOM 0 H ASN A 90 -6.784 0.155 -11.897 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.081 -0.605 -10.346 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.211 -2.980 -10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.712 -2.937 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.981 -4.274 -13.154 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.629 -4.433 -12.028 1.00 0.00 H new ATOM 108 N GLU A 91 -5.999 0.607 -8.642 1.00 0.00 N ATOM 109 CA GLU A 91 -5.670 1.211 -7.348 1.00 0.00 C ATOM 110 C GLU A 91 -6.135 2.679 -7.350 1.00 0.00 C ATOM 111 O GLU A 91 -6.573 3.197 -8.382 1.00 0.00 O ATOM 112 CB GLU A 91 -4.162 1.011 -7.092 1.00 0.00 C ATOM 113 CG GLU A 91 -3.640 1.439 -5.718 1.00 0.00 C ATOM 114 CD GLU A 91 -4.430 0.798 -4.563 1.00 0.00 C ATOM 115 OE1 GLU A 91 -4.081 -0.321 -4.115 1.00 0.00 O ATOM 116 OE2 GLU A 91 -5.411 1.431 -4.108 1.00 0.00 O ATOM 0 H GLU A 91 -5.658 1.149 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.192 0.735 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.929 -0.045 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.611 1.563 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.588 1.165 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.695 2.524 -5.634 1.00 0.00 H new ATOM 123 N GLN A 92 -6.118 3.325 -6.182 1.00 0.00 N ATOM 124 CA GLN A 92 -6.649 4.665 -5.950 1.00 0.00 C ATOM 125 C GLN A 92 -5.845 5.755 -6.663 1.00 0.00 C ATOM 126 O GLN A 92 -4.620 5.707 -6.715 1.00 0.00 O ATOM 127 CB GLN A 92 -6.632 4.980 -4.443 1.00 0.00 C ATOM 128 CG GLN A 92 -7.766 4.303 -3.668 1.00 0.00 C ATOM 129 CD GLN A 92 -7.673 4.619 -2.171 1.00 0.00 C ATOM 130 OE1 GLN A 92 -7.303 3.775 -1.358 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.002 5.839 -1.766 1.00 0.00 N ATOM 0 H GLN A 92 -5.718 2.910 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.663 4.666 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.676 4.664 -4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.700 6.059 -4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.728 4.640 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.721 3.224 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.309 6.536 -2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.948 6.080 -0.776 1.00 0.00 H new ATOM 140 N VAL A 93 -6.548 6.804 -7.086 1.00 0.00 N ATOM 141 CA VAL A 93 -6.015 8.062 -7.594 1.00 0.00 C ATOM 142 C VAL A 93 -6.973 9.185 -7.183 1.00 0.00 C ATOM 143 O VAL A 93 -8.101 8.919 -6.762 1.00 0.00 O ATOM 144 CB VAL A 93 -5.842 8.037 -9.128 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.492 7.414 -9.506 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.019 7.381 -9.870 1.00 0.00 C ATOM 0 H VAL A 93 -7.568 6.795 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.025 8.227 -7.169 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.846 9.074 -9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.387 7.404 -10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.685 8.001 -9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.444 6.393 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.828 7.399 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.128 6.348 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.936 7.930 -9.655 1.00 0.00 H new ATOM 156 N LEU A 94 -6.525 10.430 -7.308 1.00 0.00 N ATOM 157 CA LEU A 94 -7.361 11.618 -7.186 1.00 0.00 C ATOM 158 C LEU A 94 -7.600 12.077 -8.621 1.00 0.00 C ATOM 159 O LEU A 94 -6.637 12.290 -9.359 1.00 0.00 O ATOM 160 CB LEU A 94 -6.641 12.715 -6.371 1.00 0.00 C ATOM 161 CG LEU A 94 -6.668 12.507 -4.844 1.00 0.00 C ATOM 162 CD1 LEU A 94 -5.768 13.549 -4.178 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.081 12.597 -4.242 1.00 0.00 C ATOM 0 H LEU A 94 -5.547 10.645 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.294 11.411 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.603 12.769 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.098 13.678 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.307 11.496 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.784 13.406 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.748 13.436 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.130 14.549 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.028 12.441 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.501 13.582 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.716 11.832 -4.688 1.00 0.00 H new ATOM 175 N ALA A 95 -8.863 12.209 -9.027 1.00 0.00 N ATOM 176 CA ALA A 95 -9.254 12.519 -10.394 1.00 0.00 C ATOM 177 C ALA A 95 -10.376 13.549 -10.373 1.00 0.00 C ATOM 178 O ALA A 95 -11.261 13.479 -9.518 1.00 0.00 O ATOM 179 CB ALA A 95 -9.741 11.241 -11.083 1.00 0.00 C ATOM 0 H ALA A 95 -9.658 12.100 -8.397 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.401 12.922 -10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.035 11.469 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.938 10.504 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.597 10.839 -10.541 1.00 0.00 H new ATOM 185 N SER A 96 -10.336 14.504 -11.298 1.00 0.00 N ATOM 186 CA SER A 96 -11.307 15.577 -11.384 1.00 0.00 C ATOM 187 C SER A 96 -12.660 15.019 -11.821 1.00 0.00 C ATOM 188 O SER A 96 -12.801 14.540 -12.950 1.00 0.00 O ATOM 189 CB SER A 96 -10.768 16.656 -12.327 1.00 0.00 C ATOM 190 OG SER A 96 -9.724 17.351 -11.664 1.00 0.00 O ATOM 0 H SER A 96 -9.614 14.550 -12.018 1.00 0.00 H new ATOM 0 HA SER A 96 -11.464 16.040 -10.410 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.398 16.204 -13.247 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.564 17.346 -12.608 1.00 0.00 H new ATOM 0 HG SER A 96 -9.247 16.735 -11.069 1.00 0.00 H new ATOM 196 N TRP A 97 -13.635 15.047 -10.909 1.00 0.00 N ATOM 197 CA TRP A 97 -15.021 14.729 -11.222 1.00 0.00 C ATOM 198 C TRP A 97 -15.693 15.963 -11.816 1.00 0.00 C ATOM 199 O TRP A 97 -15.325 17.100 -11.488 1.00 0.00 O ATOM 200 CB TRP A 97 -15.756 14.213 -9.988 1.00 0.00 C ATOM 201 CG TRP A 97 -17.033 13.453 -10.219 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.295 12.546 -11.190 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.254 13.523 -9.433 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.576 12.046 -11.035 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.205 12.589 -9.934 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.632 14.287 -8.319 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.449 12.381 -9.314 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.867 14.091 -7.676 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.768 13.126 -8.159 1.00 0.00 C ATOM 0 H TRP A 97 -13.480 15.292 -9.931 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.056 13.927 -11.960 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.074 13.568 -9.433 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.981 15.066 -9.347 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.606 12.256 -11.970 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.003 11.360 -11.658 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.958 15.044 -7.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.149 11.663 -9.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -20.124 14.683 -6.810 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.703 12.955 -7.647 1.00 0.00 H new ATOM 220 N SER A 98 -16.711 15.735 -12.646 1.00 0.00 N ATOM 221 CA SER A 98 -17.459 16.774 -13.348 1.00 0.00 C ATOM 222 C SER A 98 -18.109 17.786 -12.396 1.00 0.00 C ATOM 223 O SER A 98 -18.438 18.897 -12.814 1.00 0.00 O ATOM 224 CB SER A 98 -18.522 16.098 -14.227 1.00 0.00 C ATOM 225 OG SER A 98 -17.949 15.031 -14.982 1.00 0.00 O ATOM 0 H SER A 98 -17.046 14.794 -12.853 1.00 0.00 H new ATOM 0 HA SER A 98 -16.760 17.344 -13.961 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.328 15.715 -13.601 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.963 16.832 -14.902 1.00 0.00 H new ATOM 0 HG SER A 98 -18.642 14.612 -15.534 1.00 0.00 H new ATOM 231 N ASP A 99 -18.287 17.415 -11.121 1.00 0.00 N ATOM 232 CA ASP A 99 -18.793 18.300 -10.078 1.00 0.00 C ATOM 233 C ASP A 99 -17.952 19.576 -9.935 1.00 0.00 C ATOM 234 O ASP A 99 -18.525 20.670 -9.901 1.00 0.00 O ATOM 235 CB ASP A 99 -18.830 17.573 -8.743 1.00 0.00 C ATOM 236 CG ASP A 99 -19.139 18.548 -7.597 1.00 0.00 C ATOM 237 OD1 ASP A 99 -20.314 18.963 -7.439 1.00 0.00 O ATOM 238 OD2 ASP A 99 -18.186 18.891 -6.856 1.00 0.00 O ATOM 0 H ASP A 99 -18.078 16.475 -10.786 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.800 18.593 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.586 16.788 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.872 17.086 -8.563 1.00 0.00 H new ATOM 243 N SER A 100 -16.615 19.458 -9.861 1.00 0.00 N ATOM 244 CA SER A 100 -15.741 20.610 -9.615 1.00 0.00 C ATOM 245 C SER A 100 -14.256 20.272 -9.821 1.00 0.00 C ATOM 246 O SER A 100 -13.625 20.796 -10.744 1.00 0.00 O ATOM 247 CB SER A 100 -15.976 21.162 -8.195 1.00 0.00 C ATOM 248 OG SER A 100 -15.929 20.142 -7.206 1.00 0.00 O ATOM 0 H SER A 100 -16.119 18.573 -9.969 1.00 0.00 H new ATOM 0 HA SER A 100 -15.999 21.375 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.222 21.917 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.946 21.658 -8.156 1.00 0.00 H new ATOM 0 HG SER A 100 -16.725 19.576 -7.282 1.00 0.00 H new ATOM 254 N ARG A 101 -13.687 19.422 -8.955 1.00 0.00 N ATOM 255 CA ARG A 101 -12.251 19.126 -8.885 1.00 0.00 C ATOM 256 C ARG A 101 -12.032 17.681 -8.457 1.00 0.00 C ATOM 257 O ARG A 101 -12.906 16.845 -8.678 1.00 0.00 O ATOM 258 CB ARG A 101 -11.484 20.148 -8.005 1.00 0.00 C ATOM 259 CG ARG A 101 -11.656 20.104 -6.463 1.00 0.00 C ATOM 260 CD ARG A 101 -13.096 20.302 -5.977 1.00 0.00 C ATOM 261 NE ARG A 101 -13.160 20.555 -4.526 1.00 0.00 N ATOM 262 CZ ARG A 101 -14.280 20.801 -3.829 1.00 0.00 C ATOM 263 NH1 ARG A 101 -15.470 20.773 -4.428 1.00 0.00 N ATOM 264 NH2 ARG A 101 -14.207 21.076 -2.529 1.00 0.00 N ATOM 0 H ARG A 101 -14.231 18.906 -8.263 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.827 19.236 -9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.422 20.032 -8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.769 21.146 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.291 19.144 -6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.027 20.875 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -13.547 21.138 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.684 19.416 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.281 20.542 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.535 20.563 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -16.316 20.961 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.300 21.100 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.058 21.263 -1.999 1.00 0.00 H new ATOM 278 N PHE A 102 -10.854 17.374 -7.921 1.00 0.00 N ATOM 279 CA PHE A 102 -10.460 16.044 -7.497 1.00 0.00 C ATOM 280 C PHE A 102 -11.444 15.407 -6.518 1.00 0.00 C ATOM 281 O PHE A 102 -11.923 16.054 -5.593 1.00 0.00 O ATOM 282 CB PHE A 102 -9.055 16.113 -6.874 1.00 0.00 C ATOM 283 CG PHE A 102 -8.005 16.644 -7.831 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.932 16.109 -9.127 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.111 17.666 -7.458 1.00 0.00 C ATOM 286 CE1 PHE A 102 -7.035 16.633 -10.057 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.171 18.159 -8.388 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.132 17.628 -9.691 1.00 0.00 C ATOM 0 H PHE A 102 -10.126 18.072 -7.767 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.457 15.406 -8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.087 16.750 -5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.763 15.117 -6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.574 15.287 -9.405 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.145 18.073 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.041 16.263 -11.072 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.484 18.941 -8.101 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.406 17.990 -10.403 1.00 0.00 H new ATOM 298 N TYR A 103 -11.642 14.104 -6.706 1.00 0.00 N ATOM 299 CA TYR A 103 -12.331 13.144 -5.851 1.00 0.00 C ATOM 300 C TYR A 103 -11.499 11.853 -5.925 1.00 0.00 C ATOM 301 O TYR A 103 -10.758 11.675 -6.900 1.00 0.00 O ATOM 302 CB TYR A 103 -13.736 12.854 -6.400 1.00 0.00 C ATOM 303 CG TYR A 103 -14.802 13.882 -6.096 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.896 15.036 -6.881 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.705 13.689 -5.040 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.886 15.999 -6.643 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.732 14.621 -4.813 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.818 15.797 -5.593 1.00 0.00 C ATOM 309 OH TYR A 103 -17.791 16.708 -5.315 1.00 0.00 O ATOM 0 H TYR A 103 -11.287 13.650 -7.547 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.432 13.524 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.664 12.746 -7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.066 11.893 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.192 15.188 -7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.611 12.823 -4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.939 16.888 -7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.461 14.438 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.651 17.512 -5.858 1.00 0.00 H new ATOM 319 N PRO A 104 -11.611 10.928 -4.959 1.00 0.00 N ATOM 320 CA PRO A 104 -11.008 9.607 -5.101 1.00 0.00 C ATOM 321 C PRO A 104 -11.687 8.832 -6.240 1.00 0.00 C ATOM 322 O PRO A 104 -12.901 8.933 -6.433 1.00 0.00 O ATOM 323 CB PRO A 104 -11.162 8.942 -3.728 1.00 0.00 C ATOM 324 CG PRO A 104 -12.369 9.641 -3.104 1.00 0.00 C ATOM 325 CD PRO A 104 -12.327 11.048 -3.696 1.00 0.00 C ATOM 0 HA PRO A 104 -9.954 9.643 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.328 7.869 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.267 9.074 -3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.299 9.130 -3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.299 9.663 -2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.333 11.436 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.820 11.740 -3.024 1.00 0.00 H new ATOM 333 N ALA A 105 -10.896 8.056 -6.983 1.00 0.00 N ATOM 334 CA ALA A 105 -11.320 7.218 -8.095 1.00 0.00 C ATOM 335 C ALA A 105 -10.349 6.041 -8.217 1.00 0.00 C ATOM 336 O ALA A 105 -9.250 6.068 -7.661 1.00 0.00 O ATOM 337 CB ALA A 105 -11.311 8.056 -9.376 1.00 0.00 C ATOM 0 H ALA A 105 -9.892 7.995 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.327 6.835 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.627 7.439 -10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -11.996 8.897 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.304 8.430 -9.559 1.00 0.00 H new ATOM 343 N LYS A 106 -10.745 5.020 -8.977 1.00 0.00 N ATOM 344 CA LYS A 106 -9.960 3.818 -9.248 1.00 0.00 C ATOM 345 C LYS A 106 -9.354 3.986 -10.642 1.00 0.00 C ATOM 346 O LYS A 106 -10.080 4.333 -11.576 1.00 0.00 O ATOM 347 CB LYS A 106 -10.939 2.628 -9.144 1.00 0.00 C ATOM 348 CG LYS A 106 -10.321 1.241 -9.364 1.00 0.00 C ATOM 349 CD LYS A 106 -11.348 0.154 -8.994 1.00 0.00 C ATOM 350 CE LYS A 106 -10.782 -1.263 -9.189 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.761 -2.315 -8.794 1.00 0.00 N ATOM 0 H LYS A 106 -11.655 5.008 -9.437 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.140 3.646 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.403 2.647 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.736 2.771 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.016 1.128 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.424 1.131 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.654 0.283 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.241 0.275 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.503 -1.401 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.872 -1.374 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.339 -3.254 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.008 -2.200 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.619 -2.226 -9.374 1.00 0.00 H new ATOM 365 N VAL A 107 -8.052 3.769 -10.813 1.00 0.00 N ATOM 366 CA VAL A 107 -7.420 3.791 -12.134 1.00 0.00 C ATOM 367 C VAL A 107 -7.977 2.628 -12.946 1.00 0.00 C ATOM 368 O VAL A 107 -8.020 1.505 -12.439 1.00 0.00 O ATOM 369 CB VAL A 107 -5.893 3.636 -12.004 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.189 3.659 -13.367 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.237 4.737 -11.174 1.00 0.00 C ATOM 0 H VAL A 107 -7.407 3.574 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.630 4.741 -12.624 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.774 2.672 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.114 3.546 -13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.561 2.840 -13.982 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.391 4.607 -13.865 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.162 4.564 -11.125 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.428 5.705 -11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.652 4.729 -10.166 1.00 0.00 H new ATOM 381 N THR A 108 -8.282 2.857 -14.221 1.00 0.00 N ATOM 382 CA THR A 108 -8.617 1.794 -15.159 1.00 0.00 C ATOM 383 C THR A 108 -7.542 1.687 -16.258 1.00 0.00 C ATOM 384 O THR A 108 -7.278 0.579 -16.726 1.00 0.00 O ATOM 385 CB THR A 108 -10.053 2.003 -15.661 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.216 3.324 -16.134 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.068 1.818 -14.529 1.00 0.00 C ATOM 0 H THR A 108 -8.303 3.790 -14.632 1.00 0.00 H new ATOM 0 HA THR A 108 -8.608 0.818 -14.674 1.00 0.00 H new ATOM 0 HB THR A 108 -10.223 1.271 -16.450 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.134 3.446 -16.453 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.076 1.972 -14.915 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.984 0.809 -14.127 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.868 2.541 -13.739 1.00 0.00 H new ATOM 395 N ALA A 109 -6.880 2.792 -16.640 1.00 0.00 N ATOM 396 CA ALA A 109 -5.688 2.784 -17.491 1.00 0.00 C ATOM 397 C ALA A 109 -4.815 4.003 -17.201 1.00 0.00 C ATOM 398 O ALA A 109 -5.285 4.995 -16.643 1.00 0.00 O ATOM 399 CB ALA A 109 -6.061 2.716 -18.978 1.00 0.00 C ATOM 0 H ALA A 109 -7.167 3.730 -16.359 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.115 1.887 -17.257 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.153 2.712 -19.581 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.628 1.805 -19.170 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.667 3.583 -19.241 1.00 0.00 H new ATOM 405 N VAL A 110 -3.560 3.942 -17.644 1.00 0.00 N ATOM 406 CA VAL A 110 -2.583 5.022 -17.589 1.00 0.00 C ATOM 407 C VAL A 110 -1.853 4.968 -18.936 1.00 0.00 C ATOM 408 O VAL A 110 -1.587 3.867 -19.435 1.00 0.00 O ATOM 409 CB VAL A 110 -1.609 4.804 -16.406 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.652 5.993 -16.230 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.331 4.573 -15.073 1.00 0.00 C ATOM 0 H VAL A 110 -3.181 3.097 -18.071 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.045 5.996 -17.428 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.048 3.906 -16.664 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.015 5.802 -15.390 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.064 6.124 -17.138 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.228 6.898 -16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.596 4.426 -14.282 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.949 5.440 -14.839 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.963 3.688 -15.150 1.00 0.00 H new ATOM 421 N ASN A 111 -1.535 6.123 -19.529 1.00 0.00 N ATOM 422 CA ASN A 111 -1.036 6.213 -20.902 1.00 0.00 C ATOM 423 C ASN A 111 0.184 7.125 -20.898 1.00 0.00 C ATOM 424 O ASN A 111 0.079 8.289 -20.505 1.00 0.00 O ATOM 425 CB ASN A 111 -2.110 6.804 -21.835 1.00 0.00 C ATOM 426 CG ASN A 111 -3.436 6.045 -21.878 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.479 4.816 -21.840 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.550 6.762 -21.957 1.00 0.00 N ATOM 0 H ASN A 111 -1.618 7.028 -19.065 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.780 5.217 -21.264 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.309 7.830 -21.527 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.704 6.848 -22.846 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.456 6.295 -21.987 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.500 7.780 -21.988 1.00 0.00 H new ATOM 435 N LYS A 112 1.329 6.618 -21.371 1.00 0.00 N ATOM 436 CA LYS A 112 2.609 7.338 -21.373 1.00 0.00 C ATOM 437 C LYS A 112 2.539 8.656 -22.152 1.00 0.00 C ATOM 438 O LYS A 112 3.303 9.578 -21.861 1.00 0.00 O ATOM 439 CB LYS A 112 3.697 6.394 -21.923 1.00 0.00 C ATOM 440 CG LYS A 112 5.144 6.923 -21.886 1.00 0.00 C ATOM 441 CD LYS A 112 5.646 7.254 -20.470 1.00 0.00 C ATOM 442 CE LYS A 112 7.105 7.747 -20.452 1.00 0.00 C ATOM 443 NZ LYS A 112 8.090 6.684 -20.795 1.00 0.00 N ATOM 0 H LYS A 112 1.394 5.681 -21.769 1.00 0.00 H new ATOM 0 HA LYS A 112 2.859 7.625 -20.352 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.659 5.463 -21.358 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.448 6.151 -22.956 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.805 6.179 -22.331 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.210 7.819 -22.504 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.004 8.018 -20.032 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.560 6.367 -19.843 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.211 8.572 -21.156 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.336 8.141 -19.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.052 7.079 -20.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.014 5.906 -20.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.893 6.324 -21.751 1.00 0.00 H new ATOM 457 N ASP A 113 1.613 8.764 -23.111 1.00 0.00 N ATOM 458 CA ASP A 113 1.365 9.991 -23.876 1.00 0.00 C ATOM 459 C ASP A 113 1.029 11.188 -22.974 1.00 0.00 C ATOM 460 O ASP A 113 1.334 12.329 -23.332 1.00 0.00 O ATOM 461 CB ASP A 113 0.222 9.755 -24.868 1.00 0.00 C ATOM 462 CG ASP A 113 -0.059 11.012 -25.712 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.775 11.352 -26.588 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.111 11.663 -25.509 1.00 0.00 O ATOM 0 H ASP A 113 1.006 7.990 -23.381 1.00 0.00 H new ATOM 0 HA ASP A 113 2.284 10.235 -24.409 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.475 8.923 -25.525 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.680 9.470 -24.325 1.00 0.00 H new ATOM 469 N GLY A 114 0.435 10.938 -21.800 1.00 0.00 N ATOM 470 CA GLY A 114 0.123 11.954 -20.798 1.00 0.00 C ATOM 471 C GLY A 114 -1.336 11.908 -20.347 1.00 0.00 C ATOM 472 O GLY A 114 -1.859 12.925 -19.884 1.00 0.00 O ATOM 0 H GLY A 114 0.153 9.999 -21.518 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.771 11.816 -19.933 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.342 12.941 -21.206 1.00 0.00 H new ATOM 476 N THR A 115 -2.017 10.768 -20.497 1.00 0.00 N ATOM 477 CA THR A 115 -3.447 10.648 -20.244 1.00 0.00 C ATOM 478 C THR A 115 -3.714 9.486 -19.285 1.00 0.00 C ATOM 479 O THR A 115 -2.831 8.684 -18.961 1.00 0.00 O ATOM 480 CB THR A 115 -4.233 10.605 -21.574 1.00 0.00 C ATOM 481 OG1 THR A 115 -3.767 9.558 -22.403 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.088 11.908 -22.366 1.00 0.00 C ATOM 0 H THR A 115 -1.582 9.897 -20.801 1.00 0.00 H new ATOM 0 HA THR A 115 -3.822 11.534 -19.732 1.00 0.00 H new ATOM 0 HB THR A 115 -5.277 10.450 -21.302 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.280 9.549 -23.238 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.656 11.835 -23.294 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.468 12.739 -21.772 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.036 12.078 -22.597 1.00 0.00 H new ATOM 490 N TYR A 116 -4.945 9.426 -18.795 1.00 0.00 N ATOM 491 CA TYR A 116 -5.396 8.575 -17.718 1.00 0.00 C ATOM 492 C TYR A 116 -6.807 8.130 -18.050 1.00 0.00 C ATOM 493 O TYR A 116 -7.551 8.880 -18.684 1.00 0.00 O ATOM 494 CB TYR A 116 -5.437 9.421 -16.431 1.00 0.00 C ATOM 495 CG TYR A 116 -4.304 9.140 -15.472 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.406 8.062 -14.573 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.155 9.951 -15.471 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.376 7.814 -13.649 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.119 9.705 -14.552 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.231 8.642 -13.631 1.00 0.00 C ATOM 501 OH TYR A 116 -1.234 8.421 -12.730 1.00 0.00 O ATOM 0 H TYR A 116 -5.696 10.008 -19.166 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.739 7.715 -17.587 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.416 10.477 -16.702 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.383 9.242 -15.921 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.277 7.424 -14.593 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.068 10.764 -16.177 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.460 6.992 -12.954 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.238 10.330 -14.551 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.466 7.653 -12.168 1.00 0.00 H new ATOM 511 N THR A 117 -7.209 6.983 -17.526 1.00 0.00 N ATOM 512 CA THR A 117 -8.582 6.526 -17.570 1.00 0.00 C ATOM 513 C THR A 117 -8.901 6.087 -16.150 1.00 0.00 C ATOM 514 O THR A 117 -8.078 5.438 -15.493 1.00 0.00 O ATOM 515 CB THR A 117 -8.760 5.406 -18.606 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.032 5.702 -19.790 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.233 5.218 -18.984 1.00 0.00 C ATOM 0 H THR A 117 -6.578 6.336 -17.052 1.00 0.00 H new ATOM 0 HA THR A 117 -9.273 7.305 -17.892 1.00 0.00 H new ATOM 0 HB THR A 117 -8.385 4.490 -18.150 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.155 4.978 -20.439 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.321 4.418 -19.719 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.807 4.958 -18.094 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.621 6.144 -19.408 1.00 0.00 H new ATOM 525 N VAL A 118 -10.062 6.490 -15.640 1.00 0.00 N ATOM 526 CA VAL A 118 -10.440 6.244 -14.259 1.00 0.00 C ATOM 527 C VAL A 118 -11.917 5.885 -14.201 1.00 0.00 C ATOM 528 O VAL A 118 -12.695 6.265 -15.080 1.00 0.00 O ATOM 529 CB VAL A 118 -10.121 7.473 -13.379 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.613 7.766 -13.295 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.831 8.751 -13.861 1.00 0.00 C ATOM 0 H VAL A 118 -10.766 6.997 -16.177 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.862 5.408 -13.866 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.494 7.204 -12.391 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.447 8.639 -12.664 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.099 6.906 -12.867 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.224 7.961 -14.294 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.570 9.582 -13.205 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.517 8.980 -14.879 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.910 8.598 -13.840 1.00 0.00 H new ATOM 541 N LYS A 119 -12.304 5.211 -13.116 1.00 0.00 N ATOM 542 CA LYS A 119 -13.677 4.887 -12.765 1.00 0.00 C ATOM 543 C LYS A 119 -13.940 5.490 -11.396 1.00 0.00 C ATOM 544 O LYS A 119 -13.159 5.266 -10.470 1.00 0.00 O ATOM 545 CB LYS A 119 -13.831 3.357 -12.773 1.00 0.00 C ATOM 546 CG LYS A 119 -15.198 2.875 -12.260 1.00 0.00 C ATOM 547 CD LYS A 119 -15.340 1.360 -12.487 1.00 0.00 C ATOM 548 CE LYS A 119 -16.727 0.886 -12.015 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.934 -0.572 -12.237 1.00 0.00 N ATOM 0 H LYS A 119 -11.634 4.863 -12.431 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.401 5.292 -13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.683 2.990 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.046 2.918 -12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.299 3.103 -11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.998 3.405 -12.777 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.207 1.128 -13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.560 0.827 -11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.843 1.109 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.499 1.445 -12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.881 -0.843 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.850 -0.784 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.215 -1.109 -11.711 1.00 0.00 H new ATOM 563 N PHE A 120 -15.025 6.245 -11.263 1.00 0.00 N ATOM 564 CA PHE A 120 -15.516 6.715 -9.975 1.00 0.00 C ATOM 565 C PHE A 120 -16.447 5.644 -9.413 1.00 0.00 C ATOM 566 O PHE A 120 -17.111 4.933 -10.168 1.00 0.00 O ATOM 567 CB PHE A 120 -16.261 8.045 -10.162 1.00 0.00 C ATOM 568 CG PHE A 120 -15.370 9.179 -10.621 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.563 9.866 -9.695 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.342 9.546 -11.978 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.743 10.925 -10.122 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.526 10.607 -12.400 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.723 11.295 -11.475 1.00 0.00 C ATOM 0 H PHE A 120 -15.593 6.550 -12.054 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.693 6.887 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.060 7.905 -10.890 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.733 8.323 -9.220 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.574 9.579 -8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -15.948 9.012 -12.695 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.128 11.454 -9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.515 10.896 -13.441 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.092 12.107 -11.805 1.00 0.00 H new ATOM 583 N TYR A 121 -16.542 5.564 -8.085 1.00 0.00 N ATOM 584 CA TYR A 121 -17.306 4.524 -7.388 1.00 0.00 C ATOM 585 C TYR A 121 -18.806 4.558 -7.717 1.00 0.00 C ATOM 586 O TYR A 121 -19.479 3.527 -7.645 1.00 0.00 O ATOM 587 CB TYR A 121 -17.079 4.655 -5.877 1.00 0.00 C ATOM 588 CG TYR A 121 -15.616 4.755 -5.497 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.805 3.605 -5.480 1.00 0.00 C ATOM 590 CD2 TYR A 121 -15.059 6.005 -5.168 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.439 3.702 -5.152 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.699 6.107 -4.840 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.878 4.960 -4.835 1.00 0.00 C ATOM 594 OH TYR A 121 -11.553 5.080 -4.526 1.00 0.00 O ATOM 0 H TYR A 121 -16.087 6.225 -7.455 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.942 3.558 -7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.603 5.539 -5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.520 3.794 -5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -15.233 2.643 -5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.681 6.888 -5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.821 2.816 -5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.278 7.070 -4.590 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.043 4.389 -4.998 1.00 0.00 H new ATOM 604 N ASP A 122 -19.329 5.730 -8.101 1.00 0.00 N ATOM 605 CA ASP A 122 -20.716 5.895 -8.541 1.00 0.00 C ATOM 606 C ASP A 122 -21.019 5.105 -9.827 1.00 0.00 C ATOM 607 O ASP A 122 -22.162 4.693 -10.036 1.00 0.00 O ATOM 608 CB ASP A 122 -21.015 7.382 -8.756 1.00 0.00 C ATOM 609 CG ASP A 122 -22.465 7.602 -9.230 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.398 7.460 -8.402 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.673 7.920 -10.425 1.00 0.00 O ATOM 0 H ASP A 122 -18.793 6.598 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.360 5.495 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.848 7.926 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.324 7.791 -9.493 1.00 0.00 H new ATOM 616 N GLY A 123 -20.001 4.864 -10.664 1.00 0.00 N ATOM 617 CA GLY A 123 -20.087 4.060 -11.881 1.00 0.00 C ATOM 618 C GLY A 123 -19.588 4.798 -13.128 1.00 0.00 C ATOM 619 O GLY A 123 -19.370 4.159 -14.159 1.00 0.00 O ATOM 0 H GLY A 123 -19.066 5.238 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.504 3.148 -11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.122 3.757 -12.036 1.00 0.00 H new ATOM 623 N VAL A 124 -19.419 6.125 -13.061 1.00 0.00 N ATOM 624 CA VAL A 124 -18.915 6.939 -14.168 1.00 0.00 C ATOM 625 C VAL A 124 -17.475 6.510 -14.493 1.00 0.00 C ATOM 626 O VAL A 124 -16.686 6.216 -13.590 1.00 0.00 O ATOM 627 CB VAL A 124 -19.029 8.439 -13.798 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.494 9.372 -14.897 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.487 8.839 -13.516 1.00 0.00 C ATOM 0 H VAL A 124 -19.632 6.668 -12.224 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.511 6.786 -15.068 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.417 8.557 -12.903 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.602 10.409 -14.578 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.441 9.155 -15.078 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.060 9.214 -15.815 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.531 9.898 -13.260 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.093 8.655 -14.403 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.872 8.248 -12.685 1.00 0.00 H new ATOM 639 N VAL A 125 -17.118 6.531 -15.777 1.00 0.00 N ATOM 640 CA VAL A 125 -15.782 6.238 -16.290 1.00 0.00 C ATOM 641 C VAL A 125 -15.449 7.353 -17.290 1.00 0.00 C ATOM 642 O VAL A 125 -16.343 7.821 -18.005 1.00 0.00 O ATOM 643 CB VAL A 125 -15.766 4.836 -16.949 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.377 4.443 -17.474 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.207 3.731 -15.976 1.00 0.00 C ATOM 0 H VAL A 125 -17.780 6.762 -16.518 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.033 6.214 -15.499 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.469 4.917 -17.778 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.426 3.452 -17.925 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.053 5.167 -18.222 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.666 4.431 -16.648 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.179 2.767 -16.484 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.533 3.710 -15.120 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.222 3.932 -15.633 1.00 0.00 H new ATOM 655 N GLN A 126 -14.184 7.787 -17.350 1.00 0.00 N ATOM 656 CA GLN A 126 -13.737 8.837 -18.269 1.00 0.00 C ATOM 657 C GLN A 126 -12.267 8.649 -18.637 1.00 0.00 C ATOM 658 O GLN A 126 -11.505 8.089 -17.844 1.00 0.00 O ATOM 659 CB GLN A 126 -13.971 10.230 -17.635 1.00 0.00 C ATOM 660 CG GLN A 126 -13.232 10.470 -16.300 1.00 0.00 C ATOM 661 CD GLN A 126 -13.423 11.882 -15.730 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.268 12.658 -16.164 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.627 12.244 -14.731 1.00 0.00 N ATOM 0 H GLN A 126 -13.440 7.417 -16.759 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.321 8.768 -19.187 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.661 10.994 -18.348 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.040 10.363 -17.471 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.580 9.742 -15.567 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.167 10.289 -16.447 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -11.927 11.593 -14.375 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.716 13.173 -14.319 1.00 0.00 H new ATOM 672 N THR A 127 -11.864 9.182 -19.796 1.00 0.00 N ATOM 673 CA THR A 127 -10.465 9.303 -20.207 1.00 0.00 C ATOM 674 C THR A 127 -10.155 10.800 -20.112 1.00 0.00 C ATOM 675 O THR A 127 -10.929 11.629 -20.603 1.00 0.00 O ATOM 676 CB THR A 127 -10.235 8.750 -21.628 1.00 0.00 C ATOM 677 OG1 THR A 127 -10.898 7.507 -21.818 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.742 8.561 -21.917 1.00 0.00 C ATOM 0 H THR A 127 -12.518 9.549 -20.488 1.00 0.00 H new ATOM 0 HA THR A 127 -9.802 8.715 -19.572 1.00 0.00 H new ATOM 0 HB THR A 127 -10.648 9.486 -22.318 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.734 7.185 -22.729 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.613 8.170 -22.926 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.231 9.520 -21.831 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.319 7.859 -21.199 1.00 0.00 H new ATOM 686 N VAL A 128 -9.056 11.150 -19.452 1.00 0.00 N ATOM 687 CA VAL A 128 -8.703 12.510 -19.059 1.00 0.00 C ATOM 688 C VAL A 128 -7.171 12.663 -19.059 1.00 0.00 C ATOM 689 O VAL A 128 -6.451 11.723 -19.399 1.00 0.00 O ATOM 690 CB VAL A 128 -9.353 12.815 -17.681 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.842 13.173 -17.797 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.203 11.664 -16.665 1.00 0.00 C ATOM 0 H VAL A 128 -8.357 10.465 -19.164 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.088 13.242 -19.769 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.800 13.679 -17.311 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.246 13.377 -16.805 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.956 14.058 -18.424 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.383 12.339 -18.245 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.679 11.944 -15.725 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.679 10.766 -17.060 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.145 11.468 -16.491 1.00 0.00 H new ATOM 702 N LYS A 129 -6.650 13.842 -18.709 1.00 0.00 N ATOM 703 CA LYS A 129 -5.230 14.185 -18.858 1.00 0.00 C ATOM 704 C LYS A 129 -4.513 14.121 -17.511 1.00 0.00 C ATOM 705 O LYS A 129 -5.155 14.093 -16.464 1.00 0.00 O ATOM 706 CB LYS A 129 -5.134 15.588 -19.494 1.00 0.00 C ATOM 707 CG LYS A 129 -5.769 15.605 -20.892 1.00 0.00 C ATOM 708 CD LYS A 129 -5.600 16.969 -21.577 1.00 0.00 C ATOM 709 CE LYS A 129 -6.208 16.938 -22.987 1.00 0.00 C ATOM 710 NZ LYS A 129 -6.037 18.229 -23.705 1.00 0.00 N ATOM 0 H LYS A 129 -7.208 14.596 -18.309 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.735 13.464 -19.508 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.634 16.316 -18.855 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.089 15.889 -19.562 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.313 14.830 -21.508 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.830 15.367 -20.813 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.083 17.744 -20.982 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.542 17.225 -21.636 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.741 16.140 -23.564 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.270 16.702 -22.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.463 18.159 -24.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.505 18.988 -23.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.024 18.444 -23.797 1.00 0.00 H new ATOM 724 N HIS A 130 -3.179 14.194 -17.518 1.00 0.00 N ATOM 725 CA HIS A 130 -2.379 14.362 -16.295 1.00 0.00 C ATOM 726 C HIS A 130 -2.826 15.600 -15.503 1.00 0.00 C ATOM 727 O HIS A 130 -2.931 15.545 -14.282 1.00 0.00 O ATOM 728 CB HIS A 130 -0.889 14.434 -16.661 1.00 0.00 C ATOM 729 CG HIS A 130 0.035 14.794 -15.517 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.156 15.622 -15.635 1.00 0.00 N ATOM 731 CD2 HIS A 130 -0.081 14.383 -14.218 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.689 15.693 -14.402 1.00 0.00 C ATOM 733 NE2 HIS A 130 0.964 14.965 -13.534 1.00 0.00 N ATOM 0 H HIS A 130 -2.621 14.139 -18.370 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.537 13.499 -15.648 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.583 13.469 -17.065 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.761 15.168 -17.456 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.840 13.732 -13.810 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.574 16.255 -14.145 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.155 14.861 -12.538 1.00 0.00 H new ATOM 741 N ILE A 131 -3.195 16.694 -16.178 1.00 0.00 N ATOM 742 CA ILE A 131 -3.727 17.886 -15.503 1.00 0.00 C ATOM 743 C ILE A 131 -5.074 17.643 -14.795 1.00 0.00 C ATOM 744 O ILE A 131 -5.556 18.533 -14.094 1.00 0.00 O ATOM 745 CB ILE A 131 -3.803 19.094 -16.466 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.651 18.817 -17.726 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.374 19.525 -16.821 1.00 0.00 C ATOM 748 CD1 ILE A 131 -5.019 20.085 -18.507 1.00 0.00 C ATOM 0 H ILE A 131 -3.135 16.780 -17.193 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.015 18.124 -14.713 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.320 19.908 -15.957 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.102 18.142 -18.383 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.566 18.302 -17.433 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.409 20.377 -17.500 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.843 19.807 -15.912 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.854 18.698 -17.303 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.614 19.815 -19.379 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.595 20.752 -17.866 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.109 20.590 -18.831 1.00 0.00 H new ATOM 760 N HIS A 132 -5.680 16.457 -14.941 1.00 0.00 N ATOM 761 CA HIS A 132 -6.964 16.111 -14.346 1.00 0.00 C ATOM 762 C HIS A 132 -6.854 14.934 -13.369 1.00 0.00 C ATOM 763 O HIS A 132 -7.844 14.634 -12.699 1.00 0.00 O ATOM 764 CB HIS A 132 -7.969 15.724 -15.444 1.00 0.00 C ATOM 765 CG HIS A 132 -8.138 16.682 -16.598 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.283 16.291 -17.935 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.181 18.044 -16.528 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.428 17.430 -18.634 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.373 18.494 -17.815 1.00 0.00 N ATOM 0 H HIS A 132 -5.276 15.698 -15.490 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.302 16.992 -13.799 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.670 14.757 -15.849 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.943 15.585 -14.975 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -8.084 18.649 -15.639 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.569 17.483 -19.703 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.459 19.470 -18.099 1.00 0.00 H new ATOM 777 N VAL A 133 -5.719 14.223 -13.304 1.00 0.00 N ATOM 778 CA VAL A 133 -5.545 13.039 -12.450 1.00 0.00 C ATOM 779 C VAL A 133 -4.133 12.977 -11.866 1.00 0.00 C ATOM 780 O VAL A 133 -3.150 13.224 -12.566 1.00 0.00 O ATOM 781 CB VAL A 133 -5.851 11.741 -13.232 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.820 10.506 -12.318 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.229 11.791 -13.907 1.00 0.00 C ATOM 0 H VAL A 133 -4.888 14.456 -13.848 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.254 13.126 -11.627 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.072 11.662 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.040 9.614 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.831 10.411 -11.869 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.567 10.616 -11.532 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.404 10.860 -14.446 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.001 11.923 -13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.261 12.626 -14.606 1.00 0.00 H new ATOM 793 N LYS A 134 -4.023 12.551 -10.605 1.00 0.00 N ATOM 794 CA LYS A 134 -2.750 12.278 -9.947 1.00 0.00 C ATOM 795 C LYS A 134 -2.936 11.141 -8.943 1.00 0.00 C ATOM 796 O LYS A 134 -4.039 10.618 -8.793 1.00 0.00 O ATOM 797 CB LYS A 134 -2.187 13.578 -9.333 1.00 0.00 C ATOM 798 CG LYS A 134 -3.131 14.287 -8.342 1.00 0.00 C ATOM 799 CD LYS A 134 -2.456 15.568 -7.836 1.00 0.00 C ATOM 800 CE LYS A 134 -3.422 16.417 -6.995 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.786 17.690 -6.547 1.00 0.00 N ATOM 0 H LYS A 134 -4.831 12.384 -10.006 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.002 11.939 -10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.253 13.346 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.945 14.269 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.076 14.527 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.362 13.628 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.582 15.309 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.100 16.153 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.314 16.641 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.747 15.846 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.502 18.297 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.033 17.479 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.378 18.182 -7.368 1.00 0.00 H new ATOM 815 N ALA A 135 -1.855 10.755 -8.265 1.00 0.00 N ATOM 816 CA ALA A 135 -1.851 9.736 -7.217 1.00 0.00 C ATOM 817 C ALA A 135 -2.852 10.085 -6.107 1.00 0.00 C ATOM 818 O ALA A 135 -3.306 11.229 -6.009 1.00 0.00 O ATOM 819 CB ALA A 135 -0.427 9.663 -6.647 1.00 0.00 C ATOM 0 H ALA A 135 -0.932 11.154 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.150 8.773 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.388 8.910 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.269 9.394 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.150 10.633 -6.235 1.00 0.00 H new ATOM 825 N PHE A 136 -3.182 9.123 -5.233 1.00 0.00 N ATOM 826 CA PHE A 136 -3.952 9.483 -4.039 1.00 0.00 C ATOM 827 C PHE A 136 -3.132 10.451 -3.170 1.00 0.00 C ATOM 828 O PHE A 136 -3.695 11.333 -2.517 1.00 0.00 O ATOM 829 CB PHE A 136 -4.446 8.262 -3.251 1.00 0.00 C ATOM 830 CG PHE A 136 -5.430 8.634 -2.153 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.595 9.362 -2.463 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.184 8.264 -0.817 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.466 9.776 -1.442 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.079 8.644 0.200 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.218 9.410 -0.111 1.00 0.00 C ATOM 0 H PHE A 136 -2.941 8.136 -5.323 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.860 9.990 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.920 7.560 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.592 7.749 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.820 9.603 -3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.305 7.686 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.330 10.378 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.892 8.347 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 136 -7.898 9.714 0.671 1.00 0.00 H new ATOM 845 N SER A 137 -1.800 10.338 -3.222 1.00 0.00 N ATOM 846 CA SER A 137 -0.904 11.319 -2.647 1.00 0.00 C ATOM 847 C SER A 137 -1.089 12.639 -3.399 1.00 0.00 C ATOM 848 O SER A 137 -0.813 12.723 -4.597 1.00 0.00 O ATOM 849 CB SER A 137 0.533 10.834 -2.783 1.00 0.00 C ATOM 850 OG SER A 137 0.678 9.585 -2.123 1.00 0.00 O ATOM 0 H SER A 137 -1.322 9.556 -3.669 1.00 0.00 H new ATOM 0 HA SER A 137 -1.125 11.464 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.795 10.733 -3.836 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.217 11.566 -2.353 1.00 0.00 H new ATOM 0 HG SER A 137 0.165 8.901 -2.602 1.00 0.00 H new ATOM 856 N LYS A 138 -1.567 13.672 -2.697 1.00 0.00 N ATOM 857 CA LYS A 138 -1.900 14.952 -3.319 1.00 0.00 C ATOM 858 C LYS A 138 -0.695 15.674 -3.934 1.00 0.00 C ATOM 859 O LYS A 138 -0.899 16.523 -4.801 1.00 0.00 O ATOM 860 CB LYS A 138 -2.655 15.847 -2.318 1.00 0.00 C ATOM 861 CG LYS A 138 -1.842 16.309 -1.097 1.00 0.00 C ATOM 862 CD LYS A 138 -2.669 17.263 -0.222 1.00 0.00 C ATOM 863 CE LYS A 138 -1.900 17.616 1.063 1.00 0.00 C ATOM 864 NZ LYS A 138 -2.644 18.572 1.923 1.00 0.00 N ATOM 0 H LYS A 138 -1.732 13.643 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.555 14.732 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.016 16.729 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -3.533 15.306 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.535 15.443 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -0.932 16.809 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -2.896 18.172 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.622 16.799 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.701 16.704 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.934 18.045 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -2.086 18.779 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -2.812 19.453 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -3.555 18.154 2.199 1.00 0.00 H new ATOM 878 N ASP A 139 0.527 15.385 -3.477 1.00 0.00 N ATOM 879 CA ASP A 139 1.719 16.156 -3.835 1.00 0.00 C ATOM 880 C ASP A 139 2.082 16.015 -5.318 1.00 0.00 C ATOM 881 O ASP A 139 2.030 17.002 -6.054 1.00 0.00 O ATOM 882 CB ASP A 139 2.897 15.738 -2.947 1.00 0.00 C ATOM 883 CG ASP A 139 4.189 16.465 -3.359 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.228 17.716 -3.293 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.163 15.782 -3.750 1.00 0.00 O ATOM 0 H ASP A 139 0.717 14.606 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 139 1.494 17.209 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.668 15.961 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.045 14.660 -3.017 1.00 0.00 H new ATOM 890 N GLN A 140 2.431 14.800 -5.764 1.00 0.00 N ATOM 891 CA GLN A 140 2.993 14.519 -7.089 1.00 0.00 C ATOM 892 C GLN A 140 2.659 13.074 -7.487 1.00 0.00 C ATOM 893 O GLN A 140 2.274 12.259 -6.646 1.00 0.00 O ATOM 894 CB GLN A 140 4.525 14.727 -7.076 1.00 0.00 C ATOM 895 CG GLN A 140 4.982 16.191 -7.119 1.00 0.00 C ATOM 896 CD GLN A 140 6.501 16.307 -7.005 1.00 0.00 C ATOM 897 OE1 GLN A 140 7.209 16.516 -7.989 1.00 0.00 O ATOM 898 NE2 GLN A 140 7.036 16.169 -5.801 1.00 0.00 N ATOM 0 H GLN A 140 2.326 13.961 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 140 2.558 15.204 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.932 14.261 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.955 14.203 -7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.650 16.650 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.512 16.744 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.437 15.996 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.047 16.236 -5.681 1.00 0.00 H new ATOM 907 N ASN A 141 2.811 12.762 -8.781 1.00 0.00 N ATOM 908 CA ASN A 141 2.469 11.459 -9.366 1.00 0.00 C ATOM 909 C ASN A 141 3.523 10.403 -8.997 1.00 0.00 C ATOM 910 O ASN A 141 4.662 10.759 -8.680 1.00 0.00 O ATOM 911 CB ASN A 141 2.327 11.636 -10.891 1.00 0.00 C ATOM 912 CG ASN A 141 1.508 10.528 -11.525 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.921 9.382 -11.518 1.00 0.00 O ATOM 914 ND2 ASN A 141 0.348 10.806 -12.081 1.00 0.00 N ATOM 0 H ASN A 141 3.183 13.422 -9.464 1.00 0.00 H new ATOM 0 HA ASN A 141 1.522 11.098 -8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.858 12.597 -11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 141 3.317 11.659 -11.346 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.205 10.062 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 141 0.002 11.766 -12.087 1.00 0.00 H new ATOM 921 N ILE A 142 3.164 9.112 -9.040 1.00 0.00 N ATOM 922 CA ILE A 142 4.071 7.998 -8.733 1.00 0.00 C ATOM 923 C ILE A 142 3.890 6.817 -9.729 1.00 0.00 C ATOM 924 O ILE A 142 4.232 5.676 -9.407 1.00 0.00 O ATOM 925 CB ILE A 142 3.978 7.572 -7.235 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.497 8.679 -6.263 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.363 7.065 -6.778 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.439 8.256 -4.791 1.00 0.00 C ATOM 0 H ILE A 142 2.223 8.809 -9.292 1.00 0.00 H new ATOM 0 HA ILE A 142 5.092 8.351 -8.876 1.00 0.00 H new ATOM 0 HB ILE A 142 3.215 6.794 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 142 4.162 9.538 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.505 9.009 -6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.313 6.763 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 142 5.657 6.211 -7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 142 6.098 7.862 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.092 9.093 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 142 2.751 7.418 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.433 7.955 -4.459 1.00 0.00 H new ATOM 940 N VAL A 143 3.346 7.051 -10.933 1.00 0.00 N ATOM 941 CA VAL A 143 3.229 6.037 -11.993 1.00 0.00 C ATOM 942 C VAL A 143 3.292 6.665 -13.395 1.00 0.00 C ATOM 943 O VAL A 143 4.084 6.211 -14.221 1.00 0.00 O ATOM 944 CB VAL A 143 1.973 5.162 -11.763 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.641 5.932 -11.785 1.00 0.00 C ATOM 946 CG2 VAL A 143 1.884 3.997 -12.762 1.00 0.00 C ATOM 0 H VAL A 143 2.970 7.961 -11.201 1.00 0.00 H new ATOM 0 HA VAL A 143 4.091 5.373 -11.939 1.00 0.00 H new ATOM 0 HB VAL A 143 2.112 4.779 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.183 5.239 -11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.645 6.689 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.516 6.414 -12.754 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.986 3.412 -12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.840 4.391 -13.777 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.763 3.360 -12.658 1.00 0.00 H new ATOM 956 N GLY A 144 2.529 7.734 -13.664 1.00 0.00 N ATOM 957 CA GLY A 144 2.660 8.516 -14.899 1.00 0.00 C ATOM 958 C GLY A 144 4.020 9.216 -14.941 1.00 0.00 C ATOM 959 O GLY A 144 4.637 9.344 -16.000 1.00 0.00 O ATOM 0 H GLY A 144 1.806 8.079 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.553 7.862 -15.765 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.861 9.255 -14.956 1.00 0.00 H new ATOM 963 N ASN A 145 4.499 9.620 -13.763 1.00 0.00 N ATOM 964 CA ASN A 145 5.845 10.110 -13.476 1.00 0.00 C ATOM 965 C ASN A 145 6.144 9.623 -12.054 1.00 0.00 C ATOM 966 O ASN A 145 5.206 9.299 -11.327 1.00 0.00 O ATOM 967 CB ASN A 145 5.898 11.644 -13.614 1.00 0.00 C ATOM 968 CG ASN A 145 7.319 12.214 -13.655 1.00 0.00 C ATOM 969 OD1 ASN A 145 8.311 11.509 -13.484 1.00 0.00 O ATOM 970 ND2 ASN A 145 7.453 13.511 -13.888 1.00 0.00 N ATOM 0 H ASN A 145 3.914 9.612 -12.927 1.00 0.00 H new ATOM 0 HA ASN A 145 6.596 9.738 -14.173 1.00 0.00 H new ATOM 0 HB2 ASN A 145 5.374 11.936 -14.524 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.361 12.093 -12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 145 8.383 13.929 -13.926 1.00 0.00 H new ATOM 0 HD22 ASN A 145 6.627 14.092 -14.029 1.00 0.00 H new ATOM 977 N ALA A 146 7.404 9.564 -11.625 1.00 0.00 N ATOM 978 CA ALA A 146 7.810 8.915 -10.377 1.00 0.00 C ATOM 979 C ALA A 146 8.477 9.926 -9.443 1.00 0.00 C ATOM 980 O ALA A 146 9.691 9.873 -9.234 1.00 0.00 O ATOM 981 CB ALA A 146 8.688 7.699 -10.704 1.00 0.00 C ATOM 0 H ALA A 146 8.184 9.971 -12.141 1.00 0.00 H new ATOM 0 HA ALA A 146 6.940 8.543 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 146 8.994 7.211 -9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 146 8.122 6.996 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.572 8.025 -11.251 1.00 0.00 H new ATOM 987 N ARG A 147 7.702 10.896 -8.928 1.00 0.00 N ATOM 988 CA ARG A 147 8.248 11.996 -8.116 1.00 0.00 C ATOM 989 C ARG A 147 7.613 12.109 -6.725 1.00 0.00 C ATOM 990 O ARG A 147 8.231 12.705 -5.842 1.00 0.00 O ATOM 991 CB ARG A 147 8.116 13.345 -8.853 1.00 0.00 C ATOM 992 CG ARG A 147 8.630 13.418 -10.303 1.00 0.00 C ATOM 993 CD ARG A 147 10.075 12.959 -10.549 1.00 0.00 C ATOM 994 NE ARG A 147 11.045 13.607 -9.642 1.00 0.00 N ATOM 995 CZ ARG A 147 11.897 13.003 -8.799 1.00 0.00 C ATOM 996 NH1 ARG A 147 11.898 11.680 -8.639 1.00 0.00 N ATOM 997 NH2 ARG A 147 12.763 13.739 -8.104 1.00 0.00 N ATOM 0 H ARG A 147 6.692 10.940 -9.061 1.00 0.00 H new ATOM 0 HA ARG A 147 9.300 11.753 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 147 7.063 13.625 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.645 14.099 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 147 7.971 12.815 -10.928 1.00 0.00 H new ATOM 0 HG3 ARG A 147 8.538 14.449 -10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 147 10.134 11.878 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 147 10.349 13.176 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 147 11.070 14.627 -9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 147 11.241 11.102 -9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 147 12.556 11.245 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 147 12.775 14.753 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 147 13.414 13.289 -7.461 1.00 0.00 H new ATOM 1011 N GLY A 200 6.404 11.580 -6.516 1.00 0.00 N ATOM 1012 CA GLY A 200 5.674 11.740 -5.263 1.00 0.00 C ATOM 1013 C GLY A 200 6.064 10.728 -4.195 1.00 0.00 C ATOM 1014 O GLY A 200 6.915 9.855 -4.394 1.00 0.00 O ATOM 0 H GLY A 200 5.906 11.028 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 200 5.846 12.745 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 200 4.606 11.653 -5.461 1.00 0.00 H new ATOM 1018 N SER A 201 5.391 10.883 -3.056 1.00 0.00 N ATOM 1019 CA SER A 201 5.634 10.243 -1.771 1.00 0.00 C ATOM 1020 C SER A 201 4.277 10.143 -1.055 1.00 0.00 C ATOM 1021 O SER A 201 3.314 10.775 -1.491 1.00 0.00 O ATOM 1022 CB SER A 201 6.607 11.146 -0.997 1.00 0.00 C ATOM 1023 OG SER A 201 7.914 11.114 -1.563 1.00 0.00 O ATOM 0 H SER A 201 4.592 11.516 -3.008 1.00 0.00 H new ATOM 0 HA SER A 201 6.065 9.246 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.234 12.170 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 201 6.652 10.825 0.044 1.00 0.00 H new ATOM 0 HG SER A 201 8.508 11.700 -1.049 1.00 0.00 H new ATOM 1029 N ARG A 363 4.167 9.349 0.018 1.00 0.00 N ATOM 1030 CA ARG A 363 2.885 9.106 0.697 1.00 0.00 C ATOM 1031 C ARG A 363 2.221 10.419 1.147 1.00 0.00 C ATOM 1032 O ARG A 363 2.859 11.230 1.824 1.00 0.00 O ATOM 1033 CB ARG A 363 3.070 8.104 1.860 1.00 0.00 C ATOM 1034 CG ARG A 363 3.973 8.572 3.017 1.00 0.00 C ATOM 1035 CD ARG A 363 4.182 7.445 4.037 1.00 0.00 C ATOM 1036 NE ARG A 363 5.026 7.886 5.164 1.00 0.00 N ATOM 1037 CZ ARG A 363 5.391 7.139 6.217 1.00 0.00 C ATOM 1038 NH1 ARG A 363 4.987 5.873 6.326 1.00 0.00 N ATOM 1039 NH2 ARG A 363 6.165 7.670 7.161 1.00 0.00 N ATOM 0 H ARG A 363 4.957 8.860 0.438 1.00 0.00 H new ATOM 0 HA ARG A 363 2.199 8.652 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 363 2.087 7.864 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.482 7.180 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 363 4.937 8.896 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 363 3.523 9.435 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 363 3.216 7.110 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 363 4.646 6.590 3.546 1.00 0.00 H new ATOM 0 HE ARG A 363 5.363 8.848 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 363 4.394 5.463 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 363 5.271 5.315 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 363 6.476 8.638 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 363 6.447 7.109 7.965 1.00 0.00 H new ATOM 1053 N ALA A 364 0.945 10.613 0.797 1.00 0.00 N ATOM 1054 CA ALA A 364 0.075 11.688 1.276 1.00 0.00 C ATOM 1055 C ALA A 364 -1.392 11.280 1.029 1.00 0.00 C ATOM 1056 O ALA A 364 -1.660 10.183 0.531 1.00 0.00 O ATOM 1057 CB ALA A 364 0.421 13.006 0.556 1.00 0.00 C ATOM 0 H ALA A 364 0.470 9.994 0.140 1.00 0.00 H new ATOM 0 HA ALA A 364 0.223 11.849 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 364 -0.231 13.801 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 364 1.460 13.269 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 364 0.280 12.882 -0.518 1.00 0.00 H new ATOM 1063 N HIS A 365 -2.344 12.167 1.335 1.00 0.00 N ATOM 1064 CA HIS A 365 -3.782 12.000 1.083 1.00 0.00 C ATOM 1065 C HIS A 365 -4.448 13.384 0.995 1.00 0.00 C ATOM 1066 O HIS A 365 -3.775 14.398 1.212 1.00 0.00 O ATOM 1067 CB HIS A 365 -4.422 11.163 2.209 1.00 0.00 C ATOM 1068 CG HIS A 365 -4.509 11.867 3.547 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -3.426 12.190 4.374 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -5.661 12.295 4.140 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.959 12.809 5.445 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -5.297 12.885 5.330 1.00 0.00 N ATOM 0 H HIS A 365 -2.127 13.057 1.783 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.928 11.474 0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -5.426 10.871 1.901 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -3.847 10.245 2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -6.663 12.191 3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -3.391 13.191 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -5.932 13.307 6.007 1.00 0.00 H new ATOM 1080 N SER A 366 -5.762 13.427 0.750 1.00 0.00 N ATOM 1081 CA SER A 366 -6.585 14.634 0.835 1.00 0.00 C ATOM 1082 C SER A 366 -7.824 14.355 1.685 1.00 0.00 C ATOM 1083 O SER A 366 -8.301 13.218 1.758 1.00 0.00 O ATOM 1084 CB SER A 366 -7.018 15.098 -0.561 1.00 0.00 C ATOM 1085 OG SER A 366 -5.905 15.520 -1.326 1.00 0.00 O ATOM 0 H SER A 366 -6.295 12.600 0.480 1.00 0.00 H new ATOM 0 HA SER A 366 -5.991 15.423 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 366 -7.529 14.284 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 366 -7.732 15.916 -0.470 1.00 0.00 H new ATOM 0 HG SER A 366 -6.208 15.809 -2.212 1.00 0.00 H new ATOM 1091 N SER A 367 -8.350 15.406 2.323 1.00 0.00 N ATOM 1092 CA SER A 367 -9.540 15.352 3.161 1.00 0.00 C ATOM 1093 C SER A 367 -10.831 15.328 2.327 1.00 0.00 C ATOM 1094 O SER A 367 -11.822 14.734 2.759 1.00 0.00 O ATOM 1095 CB SER A 367 -9.513 16.559 4.115 1.00 0.00 C ATOM 1096 OG SER A 367 -9.053 17.737 3.455 1.00 0.00 O ATOM 0 H SER A 367 -7.945 16.340 2.265 1.00 0.00 H new ATOM 0 HA SER A 367 -9.534 14.425 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 367 -10.513 16.731 4.514 1.00 0.00 H new ATOM 0 HB3 SER A 367 -8.865 16.339 4.963 1.00 0.00 H new ATOM 0 HG SER A 367 -9.049 18.486 4.087 1.00 0.00 H new ATOM 1102 N HIS A 368 -10.844 15.968 1.145 1.00 0.00 N ATOM 1103 CA HIS A 368 -12.023 15.988 0.280 1.00 0.00 C ATOM 1104 C HIS A 368 -12.289 14.575 -0.248 1.00 0.00 C ATOM 1105 O HIS A 368 -11.449 14.010 -0.955 1.00 0.00 O ATOM 1106 CB HIS A 368 -11.867 16.978 -0.883 1.00 0.00 C ATOM 1107 CG HIS A 368 -13.093 16.952 -1.771 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -14.234 17.750 -1.622 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -13.259 16.129 -2.847 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -15.061 17.379 -2.620 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -14.497 16.414 -3.368 1.00 0.00 N ATOM 0 H HIS A 368 -10.044 16.479 0.771 1.00 0.00 H new ATOM 0 HA HIS A 368 -12.874 16.326 0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -11.715 17.984 -0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -10.982 16.725 -1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -12.555 15.398 -3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -16.041 17.799 -2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -14.918 15.969 -4.184 1.00 0.00 H new ATOM 1119 N LEU A 369 -13.462 14.028 0.075 1.00 0.00 N ATOM 1120 CA LEU A 369 -14.017 12.796 -0.475 1.00 0.00 C ATOM 1121 C LEU A 369 -15.527 12.790 -0.211 1.00 0.00 C ATOM 1122 O LEU A 369 -16.076 13.744 0.341 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.278 11.542 0.043 1.00 0.00 C ATOM 1124 CG LEU A 369 -13.177 11.352 1.572 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -14.439 10.718 2.174 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.969 10.450 1.866 1.00 0.00 C ATOM 0 H LEU A 369 -14.081 14.457 0.763 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.863 12.761 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.774 10.665 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -12.266 11.558 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 369 -13.064 12.336 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -14.313 10.608 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -15.299 11.357 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -14.603 9.738 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -11.879 10.302 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -12.108 9.485 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.062 10.921 1.487 1.00 0.00 H new HETATM 1138 N M2L A 370 -16.192 11.705 -0.611 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.648 11.574 -0.668 1.00 0.00 C HETATM 1140 CB M2L A 370 -18.061 11.613 -2.155 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.973 11.036 -3.084 1.00 0.00 S HETATM 1142 CD M2L A 370 -17.076 9.558 -3.474 1.00 0.00 C HETATM 1143 CE M2L A 370 -18.067 9.415 -4.635 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.832 10.449 -5.690 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -18.991 10.617 -6.615 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -16.540 10.348 -6.438 1.00 0.00 C HETATM 1147 C M2L A 370 -18.126 10.291 0.030 1.00 0.00 C HETATM 1148 O M2L A 370 -17.340 9.382 0.285 1.00 0.00 O HETATM 0 HM2B M2L A 370 -15.708 10.437 -5.740 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -16.487 9.384 -6.945 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -19.194 9.672 -7.119 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -19.870 10.921 -6.046 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -16.483 11.149 -7.175 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -18.757 11.381 -7.356 1.00 0.00 H new HETATM 0 HEA M2L A 370 -17.975 8.421 -5.072 1.00 0.00 H new HETATM 0 HE M2L A 370 -19.086 9.504 -4.258 1.00 0.00 H new HETATM 0 HDA M2L A 370 -16.097 9.177 -3.765 1.00 0.00 H new HETATM 0 HD M2L A 370 -17.408 8.966 -2.621 1.00 0.00 H new HETATM 0 HBA M2L A 370 -18.984 11.049 -2.288 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.272 12.643 -2.443 1.00 0.00 H new HETATM 0 HA M2L A 370 -18.123 12.395 -0.132 1.00 0.00 H new ATOM 1164 N SER A 371 -19.428 10.232 0.342 1.00 0.00 N ATOM 1165 CA SER A 371 -20.040 9.163 1.136 1.00 0.00 C ATOM 1166 C SER A 371 -20.189 7.838 0.367 1.00 0.00 C ATOM 1167 O SER A 371 -20.167 6.764 0.970 1.00 0.00 O ATOM 1168 CB SER A 371 -21.423 9.637 1.618 1.00 0.00 C ATOM 1169 OG SER A 371 -21.352 10.943 2.190 1.00 0.00 O ATOM 0 H SER A 371 -20.097 10.941 0.042 1.00 0.00 H new ATOM 0 HA SER A 371 -19.375 8.960 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 371 -22.121 9.642 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 371 -21.814 8.935 2.355 1.00 0.00 H new ATOM 0 HG SER A 371 -22.244 11.219 2.486 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.298 7.899 -0.969 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.483 6.721 -1.833 1.00 0.00 C ATOM 1177 C LYS A 372 -19.135 6.089 -2.228 1.00 0.00 C ATOM 1178 O LYS A 372 -19.053 5.329 -3.192 1.00 0.00 O ATOM 1179 CB LYS A 372 -21.345 7.131 -3.050 1.00 0.00 C ATOM 1180 CG LYS A 372 -22.137 5.953 -3.650 1.00 0.00 C ATOM 1181 CD LYS A 372 -22.900 6.329 -4.934 1.00 0.00 C ATOM 1182 CE LYS A 372 -24.007 7.386 -4.759 1.00 0.00 C ATOM 1183 NZ LYS A 372 -25.168 6.893 -3.966 1.00 0.00 N ATOM 0 H LYS A 372 -20.260 8.777 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.012 5.939 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -22.041 7.914 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -20.700 7.557 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -21.450 5.135 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -22.846 5.584 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -22.183 6.697 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -23.346 5.425 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -23.587 8.265 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -24.355 7.704 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -25.878 7.649 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -25.591 6.071 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.847 6.614 -3.017 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.045 6.465 -1.548 1.00 0.00 N ATOM 1198 CA LYS A 373 -16.701 5.965 -1.838 1.00 0.00 C ATOM 1199 C LYS A 373 -16.660 4.444 -1.626 1.00 0.00 C ATOM 1200 O LYS A 373 -17.389 3.920 -0.774 1.00 0.00 O ATOM 1201 CB LYS A 373 -15.707 6.665 -0.904 1.00 0.00 C ATOM 1202 CG LYS A 373 -14.253 6.535 -1.366 1.00 0.00 C ATOM 1203 CD LYS A 373 -13.300 7.215 -0.377 1.00 0.00 C ATOM 1204 CE LYS A 373 -13.209 6.514 0.997 1.00 0.00 C ATOM 1205 NZ LYS A 373 -12.676 5.123 0.925 1.00 0.00 N ATOM 0 H LYS A 373 -18.074 7.130 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 373 -16.434 6.175 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.966 7.721 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -15.802 6.246 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -13.991 5.481 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -14.140 6.984 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -12.304 7.256 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -13.624 8.245 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -12.571 7.105 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -14.200 6.491 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -12.467 4.781 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -13.384 4.502 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -11.805 5.114 0.357 1.00 0.00 H new ATOM 1219 N GLY A 374 -15.793 3.755 -2.369 1.00 0.00 N ATOM 1220 CA GLY A 374 -15.480 2.356 -2.122 1.00 0.00 C ATOM 1221 C GLY A 374 -14.936 2.198 -0.701 1.00 0.00 C ATOM 1222 O GLY A 374 -15.291 1.200 -0.037 1.00 0.00 O ATOM 1223 OXT GLY A 374 -14.153 3.072 -0.254 1.00 0.00 O ATOM 0 H GLY A 374 -15.289 4.157 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -16.373 1.744 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -14.745 2.004 -2.846 1.00 0.00 H new TER 1227 GLY A 374