USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 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 138 LYS NZ :NH3+ -179:sc= 1.72 (180deg=0) USER MOD Set 1.2: A 365 HIS : no HD1:sc= 1.53 K(o=4.7,f=-15!) USER MOD Set 1.3: A 366 SER OG : rot 60:sc= 0.569 USER MOD Set 1.4: A 368 HIS : no HD1:sc= 0.887 K(o=4.7,f=-8.2!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.694 X(o=1.2,f=1) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.518 USER MOD Set 3.1: A 92 GLN : amide:sc= 2 K(o=3.2,f=1.6) USER MOD Set 3.2: A 121 TYR OH : rot -1:sc= 1.23 USER MOD Single : A 84 SER OG : rot 26:sc= 0.0657 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.698 X(o=-0.7,f=-1) USER MOD Single : A 90 ASN : amide:sc= -0.115 K(o=-0.11,f=-2.8!) USER MOD Single : A 96 SER OG : rot 52:sc= 0.033 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 100 SER OG : rot -87:sc= 2 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00342 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 30:sc= -0.101 USER MOD Single : A 117 THR OG1 : rot 180:sc=-0.000767 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0.874 K(o=0.87,f=-0.4) 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= -0.193 X(o=-0.19,f=-0.0049) USER MOD Single : A 132 HIS : no HD1:sc= 0.735 K(o=0.74,f=-5.5!) USER MOD Single : A 134 LYS NZ :NH3+ 158:sc= 1.02 (180deg=0.7) USER MOD Single : A 137 SER OG : rot -150:sc= 0.00986 USER MOD Single : A 140 GLN : amide:sc= 2.21 K(o=2.2,f=-5.2!) USER MOD Single : A 141 ASN : amide:sc= 1.08 K(o=1.1,f=-12!) USER MOD Single : A 145 ASN : amide:sc= 0.876 K(o=0.88,f=-5.4!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.06) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 2.227 1.296 2.543 1.00 0.00 N ATOM 2 CA SER A 84 2.936 1.817 1.347 1.00 0.00 C ATOM 3 C SER A 84 2.189 1.424 0.063 1.00 0.00 C ATOM 4 O SER A 84 1.778 0.267 -0.089 1.00 0.00 O ATOM 5 CB SER A 84 4.402 1.341 1.320 1.00 0.00 C ATOM 6 OG SER A 84 5.092 1.734 2.505 1.00 0.00 O ATOM 0 HA SER A 84 2.951 2.905 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.433 0.256 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.906 1.756 0.447 1.00 0.00 H new ATOM 0 HG SER A 84 4.449 1.845 3.236 1.00 0.00 H new ATOM 12 N SER A 85 2.016 2.376 -0.861 1.00 0.00 N ATOM 13 CA SER A 85 1.227 2.216 -2.087 1.00 0.00 C ATOM 14 C SER A 85 1.924 2.950 -3.240 1.00 0.00 C ATOM 15 O SER A 85 2.643 3.927 -3.003 1.00 0.00 O ATOM 16 CB SER A 85 -0.187 2.790 -1.857 1.00 0.00 C ATOM 17 OG SER A 85 -0.796 2.225 -0.697 1.00 0.00 O ATOM 0 H SER A 85 2.432 3.303 -0.774 1.00 0.00 H new ATOM 0 HA SER A 85 1.143 1.160 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.128 3.873 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.809 2.591 -2.730 1.00 0.00 H new ATOM 0 HG SER A 85 -1.690 2.609 -0.577 1.00 0.00 H new ATOM 23 N GLU A 86 1.707 2.495 -4.480 1.00 0.00 N ATOM 24 CA GLU A 86 2.381 3.031 -5.673 1.00 0.00 C ATOM 25 C GLU A 86 1.383 3.437 -6.779 1.00 0.00 C ATOM 26 O GLU A 86 1.792 3.968 -7.813 1.00 0.00 O ATOM 27 CB GLU A 86 3.441 2.029 -6.160 1.00 0.00 C ATOM 28 CG GLU A 86 4.522 1.717 -5.115 1.00 0.00 C ATOM 29 CD GLU A 86 5.614 0.799 -5.695 1.00 0.00 C ATOM 30 OE1 GLU A 86 5.429 -0.443 -5.704 1.00 0.00 O ATOM 31 OE2 GLU A 86 6.671 1.309 -6.143 1.00 0.00 O ATOM 0 H GLU A 86 1.054 1.739 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 86 2.891 3.955 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.946 1.101 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.918 2.425 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.973 2.646 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.065 1.239 -4.248 1.00 0.00 H new ATOM 38 N PHE A 87 0.077 3.233 -6.538 1.00 0.00 N ATOM 39 CA PHE A 87 -1.045 3.746 -7.336 1.00 0.00 C ATOM 40 C PHE A 87 -1.026 3.348 -8.819 1.00 0.00 C ATOM 41 O PHE A 87 -1.079 4.202 -9.710 1.00 0.00 O ATOM 42 CB PHE A 87 -1.185 5.254 -7.071 1.00 0.00 C ATOM 43 CG PHE A 87 -1.081 5.609 -5.596 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.170 5.403 -4.729 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.119 6.138 -5.082 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.069 5.749 -3.370 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.215 6.495 -3.727 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.884 6.310 -2.871 1.00 0.00 C ATOM 0 H PHE A 87 -0.238 2.679 -5.742 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.957 3.250 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.412 5.788 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.146 5.597 -7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.087 4.977 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.970 6.270 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.906 5.582 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.134 6.912 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.817 6.599 -1.832 1.00 0.00 H new ATOM 58 N GLN A 88 -0.953 2.035 -9.085 1.00 0.00 N ATOM 59 CA GLN A 88 -1.062 1.498 -10.444 1.00 0.00 C ATOM 60 C GLN A 88 -2.529 1.338 -10.885 1.00 0.00 C ATOM 61 O GLN A 88 -3.459 1.751 -10.191 1.00 0.00 O ATOM 62 CB GLN A 88 -0.279 0.166 -10.595 1.00 0.00 C ATOM 63 CG GLN A 88 1.158 0.139 -10.059 1.00 0.00 C ATOM 64 CD GLN A 88 1.948 1.415 -10.346 1.00 0.00 C ATOM 65 OE1 GLN A 88 1.862 2.017 -11.414 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.727 1.852 -9.374 1.00 0.00 N ATOM 0 H GLN A 88 -0.818 1.323 -8.368 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.604 2.228 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.844 -0.618 -10.090 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.251 -0.092 -11.654 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.131 -0.026 -8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.684 -0.709 -10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.784 1.337 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.272 2.705 -9.502 1.00 0.00 H new ATOM 75 N ILE A 89 -2.743 0.734 -12.062 1.00 0.00 N ATOM 76 CA ILE A 89 -4.069 0.312 -12.521 1.00 0.00 C ATOM 77 C ILE A 89 -4.724 -0.534 -11.416 1.00 0.00 C ATOM 78 O ILE A 89 -4.051 -1.314 -10.735 1.00 0.00 O ATOM 79 CB ILE A 89 -3.973 -0.418 -13.886 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.375 0.522 -14.963 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.350 -0.941 -14.336 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.130 -0.132 -16.331 1.00 0.00 C ATOM 0 H ILE A 89 -1.996 0.524 -12.724 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.708 1.177 -12.700 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.311 -1.275 -13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.047 1.370 -15.097 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.430 0.920 -14.593 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.251 -1.448 -15.296 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.734 -1.641 -13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.042 -0.105 -14.437 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.711 0.605 -17.017 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.432 -0.961 -16.218 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.073 -0.504 -16.731 1.00 0.00 H new ATOM 94 N ASN A 90 -6.045 -0.384 -11.266 1.00 0.00 N ATOM 95 CA ASN A 90 -6.874 -1.016 -10.241 1.00 0.00 C ATOM 96 C ASN A 90 -6.488 -0.607 -8.809 1.00 0.00 C ATOM 97 O ASN A 90 -6.915 -1.267 -7.861 1.00 0.00 O ATOM 98 CB ASN A 90 -6.984 -2.547 -10.438 1.00 0.00 C ATOM 99 CG ASN A 90 -7.742 -2.937 -11.704 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.773 -2.355 -12.026 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.261 -3.922 -12.449 1.00 0.00 N ATOM 0 H ASN A 90 -6.589 0.212 -11.889 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.881 -0.623 -10.379 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.982 -2.975 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.485 -2.983 -9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.749 -4.203 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.403 -4.399 -12.172 1.00 0.00 H new ATOM 108 N GLU A 91 -5.749 0.492 -8.624 1.00 0.00 N ATOM 109 CA GLU A 91 -5.491 1.100 -7.319 1.00 0.00 C ATOM 110 C GLU A 91 -6.113 2.509 -7.307 1.00 0.00 C ATOM 111 O GLU A 91 -6.664 2.955 -8.318 1.00 0.00 O ATOM 112 CB GLU A 91 -3.974 1.063 -7.039 1.00 0.00 C ATOM 113 CG GLU A 91 -3.528 1.471 -5.626 1.00 0.00 C ATOM 114 CD GLU A 91 -4.248 0.662 -4.534 1.00 0.00 C ATOM 115 OE1 GLU A 91 -5.370 1.069 -4.151 1.00 0.00 O ATOM 116 OE2 GLU A 91 -3.702 -0.365 -4.065 1.00 0.00 O ATOM 0 H GLU A 91 -5.306 0.992 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.959 0.549 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.616 0.052 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.479 1.718 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.452 1.329 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.723 2.533 -5.478 1.00 0.00 H new ATOM 123 N GLN A 92 -6.099 3.187 -6.155 1.00 0.00 N ATOM 124 CA GLN A 92 -6.784 4.466 -5.975 1.00 0.00 C ATOM 125 C GLN A 92 -6.010 5.608 -6.633 1.00 0.00 C ATOM 126 O GLN A 92 -4.788 5.557 -6.763 1.00 0.00 O ATOM 127 CB GLN A 92 -6.979 4.849 -4.496 1.00 0.00 C ATOM 128 CG GLN A 92 -7.411 3.743 -3.536 1.00 0.00 C ATOM 129 CD GLN A 92 -8.475 2.793 -4.095 1.00 0.00 C ATOM 130 OE1 GLN A 92 -9.597 3.196 -4.387 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.146 1.520 -4.255 1.00 0.00 N ATOM 0 H GLN A 92 -5.611 2.862 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.759 4.327 -6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.041 5.266 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.722 5.645 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.534 3.160 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.794 4.201 -2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.209 1.200 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.829 0.859 -4.626 1.00 0.00 H new ATOM 140 N VAL A 93 -6.721 6.694 -6.912 1.00 0.00 N ATOM 141 CA VAL A 93 -6.214 7.969 -7.375 1.00 0.00 C ATOM 142 C VAL A 93 -7.175 9.063 -6.910 1.00 0.00 C ATOM 143 O VAL A 93 -8.231 8.784 -6.337 1.00 0.00 O ATOM 144 CB VAL A 93 -6.071 7.991 -8.916 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.705 7.453 -9.344 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.202 7.269 -9.661 1.00 0.00 C ATOM 0 H VAL A 93 -7.736 6.702 -6.812 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.221 8.138 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.151 9.039 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.628 7.478 -10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.919 8.071 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.593 6.426 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.027 7.330 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.228 6.223 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.155 7.741 -9.421 1.00 0.00 H new ATOM 156 N LEU A 94 -6.802 10.309 -7.168 1.00 0.00 N ATOM 157 CA LEU A 94 -7.621 11.490 -7.030 1.00 0.00 C ATOM 158 C LEU A 94 -7.754 12.001 -8.454 1.00 0.00 C ATOM 159 O LEU A 94 -6.743 12.224 -9.119 1.00 0.00 O ATOM 160 CB LEU A 94 -6.911 12.510 -6.130 1.00 0.00 C ATOM 161 CG LEU A 94 -6.987 12.143 -4.644 1.00 0.00 C ATOM 162 CD1 LEU A 94 -5.945 12.926 -3.843 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.376 12.412 -4.053 1.00 0.00 C ATOM 0 H LEU A 94 -5.862 10.528 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.591 11.301 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.865 12.585 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.357 13.493 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.785 11.074 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.014 12.652 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.948 12.690 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.129 13.995 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.382 12.137 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.615 13.471 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.119 11.820 -4.587 1.00 0.00 H new ATOM 175 N ALA A 95 -8.984 12.155 -8.934 1.00 0.00 N ATOM 176 CA ALA A 95 -9.289 12.482 -10.320 1.00 0.00 C ATOM 177 C ALA A 95 -10.335 13.589 -10.348 1.00 0.00 C ATOM 178 O ALA A 95 -11.251 13.583 -9.522 1.00 0.00 O ATOM 179 CB ALA A 95 -9.827 11.230 -11.021 1.00 0.00 C ATOM 0 H ALA A 95 -9.817 12.053 -8.354 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.391 12.823 -10.836 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.058 11.466 -12.060 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.075 10.442 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.731 10.891 -10.516 1.00 0.00 H new ATOM 185 N SER A 96 -10.198 14.535 -11.272 1.00 0.00 N ATOM 186 CA SER A 96 -11.111 15.660 -11.384 1.00 0.00 C ATOM 187 C SER A 96 -12.473 15.168 -11.877 1.00 0.00 C ATOM 188 O SER A 96 -12.583 14.617 -12.977 1.00 0.00 O ATOM 189 CB SER A 96 -10.483 16.732 -12.277 1.00 0.00 C ATOM 190 OG SER A 96 -9.433 17.351 -11.553 1.00 0.00 O ATOM 0 H SER A 96 -9.448 14.540 -11.964 1.00 0.00 H new ATOM 0 HA SER A 96 -11.285 16.123 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.100 16.286 -13.195 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.230 17.470 -12.569 1.00 0.00 H new ATOM 0 HG SER A 96 -8.828 16.664 -11.203 1.00 0.00 H new ATOM 196 N TRP A 97 -13.497 15.317 -11.034 1.00 0.00 N ATOM 197 CA TRP A 97 -14.877 15.008 -11.385 1.00 0.00 C ATOM 198 C TRP A 97 -15.478 16.183 -12.153 1.00 0.00 C ATOM 199 O TRP A 97 -15.012 17.322 -12.024 1.00 0.00 O ATOM 200 CB TRP A 97 -15.668 14.691 -10.119 1.00 0.00 C ATOM 201 CG TRP A 97 -17.022 14.066 -10.276 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.400 13.118 -11.166 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.214 14.342 -9.491 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.719 12.764 -10.947 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.254 13.446 -9.872 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.487 15.240 -8.448 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.478 13.394 -9.185 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.703 15.200 -7.746 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.690 14.265 -8.102 1.00 0.00 C ATOM 0 H TRP A 97 -13.386 15.659 -10.080 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.917 14.130 -12.029 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.062 14.026 -9.504 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.791 15.619 -9.560 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.765 12.700 -11.933 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.232 12.085 -11.509 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.746 15.978 -8.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.245 12.695 -9.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.880 15.888 -6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.613 14.216 -7.543 1.00 0.00 H new ATOM 220 N SER A 98 -16.545 15.910 -12.904 1.00 0.00 N ATOM 221 CA SER A 98 -17.259 16.882 -13.723 1.00 0.00 C ATOM 222 C SER A 98 -17.785 18.070 -12.906 1.00 0.00 C ATOM 223 O SER A 98 -18.048 19.132 -13.476 1.00 0.00 O ATOM 224 CB SER A 98 -18.419 16.170 -14.435 1.00 0.00 C ATOM 225 OG SER A 98 -17.990 14.935 -15.003 1.00 0.00 O ATOM 0 H SER A 98 -16.947 14.974 -12.959 1.00 0.00 H new ATOM 0 HA SER A 98 -16.558 17.293 -14.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.227 15.987 -13.727 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.820 16.814 -15.217 1.00 0.00 H new ATOM 0 HG SER A 98 -18.746 14.500 -15.449 1.00 0.00 H new ATOM 231 N ASP A 99 -17.931 17.906 -11.582 1.00 0.00 N ATOM 232 CA ASP A 99 -18.319 18.986 -10.682 1.00 0.00 C ATOM 233 C ASP A 99 -17.340 20.163 -10.752 1.00 0.00 C ATOM 234 O ASP A 99 -17.777 21.307 -10.915 1.00 0.00 O ATOM 235 CB ASP A 99 -18.410 18.498 -9.240 1.00 0.00 C ATOM 236 CG ASP A 99 -18.790 19.670 -8.318 1.00 0.00 C ATOM 237 OD1 ASP A 99 -20.007 19.907 -8.110 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.878 20.360 -7.800 1.00 0.00 O ATOM 0 H ASP A 99 -17.781 17.014 -11.111 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.301 19.326 -11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.153 17.705 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.456 18.073 -8.929 1.00 0.00 H new ATOM 243 N SER A 100 -16.028 19.894 -10.643 1.00 0.00 N ATOM 244 CA SER A 100 -15.002 20.935 -10.578 1.00 0.00 C ATOM 245 C SER A 100 -13.580 20.349 -10.606 1.00 0.00 C ATOM 246 O SER A 100 -12.828 20.602 -11.551 1.00 0.00 O ATOM 247 CB SER A 100 -15.195 21.798 -9.313 1.00 0.00 C ATOM 248 OG SER A 100 -15.383 21.013 -8.144 1.00 0.00 O ATOM 0 H SER A 100 -15.654 18.946 -10.598 1.00 0.00 H new ATOM 0 HA SER A 100 -15.117 21.559 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.325 22.441 -9.179 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.056 22.452 -9.451 1.00 0.00 H new ATOM 0 HG SER A 100 -16.335 20.803 -8.041 1.00 0.00 H new ATOM 254 N ARG A 101 -13.197 19.587 -9.568 1.00 0.00 N ATOM 255 CA ARG A 101 -11.824 19.120 -9.329 1.00 0.00 C ATOM 256 C ARG A 101 -11.824 17.771 -8.613 1.00 0.00 C ATOM 257 O ARG A 101 -12.795 17.029 -8.726 1.00 0.00 O ATOM 258 CB ARG A 101 -10.953 20.206 -8.650 1.00 0.00 C ATOM 259 CG ARG A 101 -11.151 20.502 -7.146 1.00 0.00 C ATOM 260 CD ARG A 101 -12.569 20.935 -6.771 1.00 0.00 C ATOM 261 NE ARG A 101 -12.661 21.378 -5.369 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.791 21.733 -4.739 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.960 21.699 -5.374 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.746 22.123 -3.465 1.00 0.00 N ATOM 0 H ARG A 101 -13.853 19.271 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.343 18.945 -10.291 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.909 19.927 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.111 21.139 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.893 19.610 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.454 21.285 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.886 21.745 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.256 20.105 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.794 21.418 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -15.003 21.401 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.813 21.971 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.854 22.151 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.604 22.393 -2.984 1.00 0.00 H new ATOM 278 N PHE A 102 -10.701 17.415 -7.991 1.00 0.00 N ATOM 279 CA PHE A 102 -10.405 16.103 -7.436 1.00 0.00 C ATOM 280 C PHE A 102 -11.450 15.527 -6.471 1.00 0.00 C ATOM 281 O PHE A 102 -11.928 16.220 -5.569 1.00 0.00 O ATOM 282 CB PHE A 102 -9.035 16.155 -6.740 1.00 0.00 C ATOM 283 CG PHE A 102 -7.914 16.580 -7.669 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.648 15.814 -8.818 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.144 17.731 -7.407 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.667 16.227 -9.726 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.141 18.128 -8.313 1.00 0.00 C ATOM 288 CZ PHE A 102 -5.907 17.376 -9.478 1.00 0.00 C ATOM 0 H PHE A 102 -9.934 18.073 -7.855 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.413 15.422 -8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.086 16.848 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.805 15.172 -6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.202 14.905 -9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.323 18.308 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.495 15.655 -10.626 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.551 19.010 -8.113 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.144 17.684 -10.178 1.00 0.00 H new ATOM 298 N TYR A 103 -11.682 14.221 -6.634 1.00 0.00 N ATOM 299 CA TYR A 103 -12.425 13.295 -5.781 1.00 0.00 C ATOM 300 C TYR A 103 -11.694 11.947 -5.917 1.00 0.00 C ATOM 301 O TYR A 103 -10.974 11.753 -6.904 1.00 0.00 O ATOM 302 CB TYR A 103 -13.881 13.134 -6.243 1.00 0.00 C ATOM 303 CG TYR A 103 -14.783 14.333 -6.020 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.770 15.370 -6.963 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.633 14.422 -4.900 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.586 16.497 -6.812 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.487 15.529 -4.751 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.460 16.582 -5.702 1.00 0.00 C ATOM 309 OH TYR A 103 -17.267 17.673 -5.561 1.00 0.00 O ATOM 0 H TYR A 103 -11.314 13.738 -7.454 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.462 13.661 -4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.880 12.897 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.313 12.277 -5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.119 15.298 -7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.629 13.640 -4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.549 17.296 -7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.165 15.578 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.807 17.578 -4.749 1.00 0.00 H new ATOM 319 N PRO A 104 -11.833 10.999 -4.973 1.00 0.00 N ATOM 320 CA PRO A 104 -11.176 9.702 -5.089 1.00 0.00 C ATOM 321 C PRO A 104 -11.812 8.869 -6.213 1.00 0.00 C ATOM 322 O PRO A 104 -13.013 8.979 -6.473 1.00 0.00 O ATOM 323 CB PRO A 104 -11.308 9.069 -3.702 1.00 0.00 C ATOM 324 CG PRO A 104 -12.594 9.687 -3.149 1.00 0.00 C ATOM 325 CD PRO A 104 -12.558 11.103 -3.715 1.00 0.00 C ATOM 0 HA PRO A 104 -10.125 9.775 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.378 7.983 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.449 9.299 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.479 9.142 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.607 9.687 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.565 11.489 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.059 11.787 -3.029 1.00 0.00 H new ATOM 333 N ALA A 105 -11.010 8.027 -6.870 1.00 0.00 N ATOM 334 CA ALA A 105 -11.403 7.170 -7.988 1.00 0.00 C ATOM 335 C ALA A 105 -10.432 5.987 -8.092 1.00 0.00 C ATOM 336 O ALA A 105 -9.368 6.008 -7.480 1.00 0.00 O ATOM 337 CB ALA A 105 -11.396 7.976 -9.298 1.00 0.00 C ATOM 0 H ALA A 105 -10.026 7.921 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.411 6.793 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.690 7.329 -10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.099 8.805 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.394 8.365 -9.480 1.00 0.00 H new ATOM 343 N LYS A 106 -10.774 4.971 -8.884 1.00 0.00 N ATOM 344 CA LYS A 106 -9.933 3.807 -9.182 1.00 0.00 C ATOM 345 C LYS A 106 -9.295 4.021 -10.560 1.00 0.00 C ATOM 346 O LYS A 106 -9.988 4.443 -11.485 1.00 0.00 O ATOM 347 CB LYS A 106 -10.865 2.582 -9.131 1.00 0.00 C ATOM 348 CG LYS A 106 -10.186 1.226 -9.375 1.00 0.00 C ATOM 349 CD LYS A 106 -11.173 0.089 -9.045 1.00 0.00 C ATOM 350 CE LYS A 106 -10.554 -1.301 -9.265 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.497 -2.399 -8.913 1.00 0.00 N ATOM 0 H LYS A 106 -11.678 4.933 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.118 3.660 -8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.350 2.556 -8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.652 2.714 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.863 1.151 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.293 1.138 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.496 0.181 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.063 0.191 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.254 -1.402 -10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.650 -1.394 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.037 -3.317 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.764 -2.319 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.349 -2.328 -9.505 1.00 0.00 H new ATOM 365 N VAL A 107 -8.001 3.749 -10.725 1.00 0.00 N ATOM 366 CA VAL A 107 -7.336 3.812 -12.029 1.00 0.00 C ATOM 367 C VAL A 107 -7.868 2.673 -12.889 1.00 0.00 C ATOM 368 O VAL A 107 -7.934 1.538 -12.412 1.00 0.00 O ATOM 369 CB VAL A 107 -5.807 3.645 -11.875 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.077 3.742 -13.224 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.184 4.672 -10.941 1.00 0.00 C ATOM 0 H VAL A 107 -7.383 3.479 -9.960 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.536 4.781 -12.487 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.684 2.650 -11.447 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.005 3.619 -13.067 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.439 2.959 -13.891 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.269 4.717 -13.672 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.110 4.500 -10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.369 5.674 -11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.627 4.578 -9.950 1.00 0.00 H new ATOM 381 N THR A 108 -8.119 2.932 -14.169 1.00 0.00 N ATOM 382 CA THR A 108 -8.433 1.889 -15.139 1.00 0.00 C ATOM 383 C THR A 108 -7.358 1.845 -16.239 1.00 0.00 C ATOM 384 O THR A 108 -7.043 0.753 -16.712 1.00 0.00 O ATOM 385 CB THR A 108 -9.872 2.073 -15.642 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.074 3.410 -16.053 1.00 0.00 O ATOM 387 CG2 THR A 108 -10.880 1.797 -14.528 1.00 0.00 C ATOM 0 H THR A 108 -8.110 3.873 -14.563 1.00 0.00 H new ATOM 0 HA THR A 108 -8.405 0.902 -14.677 1.00 0.00 H new ATOM 0 HB THR A 108 -10.017 1.377 -16.468 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.994 3.518 -16.374 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.891 1.934 -14.910 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.761 0.772 -14.176 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.708 2.487 -13.702 1.00 0.00 H new ATOM 395 N ALA A 109 -6.745 2.978 -16.622 1.00 0.00 N ATOM 396 CA ALA A 109 -5.559 3.012 -17.482 1.00 0.00 C ATOM 397 C ALA A 109 -4.734 4.265 -17.198 1.00 0.00 C ATOM 398 O ALA A 109 -5.246 5.245 -16.657 1.00 0.00 O ATOM 399 CB ALA A 109 -5.947 2.936 -18.968 1.00 0.00 C ATOM 0 H ALA A 109 -7.066 3.904 -16.338 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.949 2.137 -17.256 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.046 2.963 -19.581 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.486 2.008 -19.156 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.584 3.783 -19.221 1.00 0.00 H new ATOM 405 N VAL A 110 -3.473 4.246 -17.623 1.00 0.00 N ATOM 406 CA VAL A 110 -2.541 5.366 -17.567 1.00 0.00 C ATOM 407 C VAL A 110 -1.821 5.332 -18.918 1.00 0.00 C ATOM 408 O VAL A 110 -1.416 4.250 -19.357 1.00 0.00 O ATOM 409 CB VAL A 110 -1.576 5.184 -16.374 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.667 6.411 -16.210 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.305 4.944 -15.043 1.00 0.00 C ATOM 0 H VAL A 110 -3.056 3.411 -18.034 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.025 6.330 -17.409 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.985 4.298 -16.608 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.002 6.257 -15.364 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.079 6.552 -17.117 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.279 7.296 -16.033 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.573 4.824 -14.244 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.948 5.796 -14.821 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.912 4.042 -15.118 1.00 0.00 H new ATOM 421 N ASN A 111 -1.667 6.479 -19.591 1.00 0.00 N ATOM 422 CA ASN A 111 -1.198 6.532 -20.979 1.00 0.00 C ATOM 423 C ASN A 111 -0.050 7.536 -21.064 1.00 0.00 C ATOM 424 O ASN A 111 -0.257 8.735 -20.867 1.00 0.00 O ATOM 425 CB ASN A 111 -2.339 6.962 -21.928 1.00 0.00 C ATOM 426 CG ASN A 111 -3.630 6.146 -21.833 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.619 4.930 -21.647 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.779 6.797 -21.962 1.00 0.00 N ATOM 0 H ASN A 111 -1.864 7.395 -19.188 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.860 5.542 -21.284 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.577 8.007 -21.729 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.973 6.908 -22.953 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.662 6.289 -21.907 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.779 7.805 -22.116 1.00 0.00 H new ATOM 435 N LYS A 112 1.161 7.065 -21.391 1.00 0.00 N ATOM 436 CA LYS A 112 2.369 7.901 -21.469 1.00 0.00 C ATOM 437 C LYS A 112 2.231 9.038 -22.493 1.00 0.00 C ATOM 438 O LYS A 112 2.919 10.053 -22.377 1.00 0.00 O ATOM 439 CB LYS A 112 3.580 6.989 -21.763 1.00 0.00 C ATOM 440 CG LYS A 112 4.964 7.671 -21.725 1.00 0.00 C ATOM 441 CD LYS A 112 5.334 8.373 -20.404 1.00 0.00 C ATOM 442 CE LYS A 112 5.353 7.470 -19.154 1.00 0.00 C ATOM 443 NZ LYS A 112 6.432 6.441 -19.190 1.00 0.00 N ATOM 0 H LYS A 112 1.332 6.084 -21.611 1.00 0.00 H new ATOM 0 HA LYS A 112 2.520 8.400 -20.512 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.579 6.173 -21.041 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.443 6.543 -22.748 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.724 6.919 -21.939 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.007 8.406 -22.529 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.318 8.827 -20.518 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.626 9.184 -20.234 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.481 8.091 -18.267 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.388 6.972 -19.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.393 5.866 -18.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.299 5.827 -20.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.358 6.911 -19.252 1.00 0.00 H new ATOM 457 N ASP A 113 1.313 8.898 -23.456 1.00 0.00 N ATOM 458 CA ASP A 113 0.943 9.955 -24.404 1.00 0.00 C ATOM 459 C ASP A 113 0.544 11.264 -23.707 1.00 0.00 C ATOM 460 O ASP A 113 0.773 12.348 -24.250 1.00 0.00 O ATOM 461 CB ASP A 113 -0.207 9.474 -25.291 1.00 0.00 C ATOM 462 CG ASP A 113 -0.600 10.545 -26.329 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.184 10.779 -27.281 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.693 11.147 -26.198 1.00 0.00 O ATOM 0 H ASP A 113 0.797 8.030 -23.601 1.00 0.00 H new ATOM 0 HA ASP A 113 1.825 10.167 -25.008 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.085 8.558 -25.804 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.070 9.231 -24.671 1.00 0.00 H new ATOM 469 N GLY A 114 -0.011 11.172 -22.490 1.00 0.00 N ATOM 470 CA GLY A 114 -0.356 12.309 -21.644 1.00 0.00 C ATOM 471 C GLY A 114 -1.773 12.217 -21.079 1.00 0.00 C ATOM 472 O GLY A 114 -2.315 13.234 -20.640 1.00 0.00 O ATOM 0 H GLY A 114 -0.236 10.275 -22.060 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.355 12.373 -20.821 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.259 13.229 -22.221 1.00 0.00 H new ATOM 476 N THR A 115 -2.399 11.037 -21.097 1.00 0.00 N ATOM 477 CA THR A 115 -3.806 10.867 -20.752 1.00 0.00 C ATOM 478 C THR A 115 -3.946 9.781 -19.683 1.00 0.00 C ATOM 479 O THR A 115 -2.990 9.082 -19.337 1.00 0.00 O ATOM 480 CB THR A 115 -4.652 10.664 -22.026 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.204 9.544 -22.766 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.577 11.888 -22.949 1.00 0.00 C ATOM 0 H THR A 115 -1.935 10.166 -21.355 1.00 0.00 H new ATOM 0 HA THR A 115 -4.211 11.771 -20.298 1.00 0.00 H new ATOM 0 HB THR A 115 -5.678 10.510 -21.691 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.759 9.438 -23.567 1.00 0.00 H new ATOM 0 HG21 THR A 115 -5.184 11.712 -23.837 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.952 12.765 -22.421 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.542 12.058 -23.245 1.00 0.00 H new ATOM 490 N TYR A 116 -5.140 9.676 -19.111 1.00 0.00 N ATOM 491 CA TYR A 116 -5.424 8.882 -17.932 1.00 0.00 C ATOM 492 C TYR A 116 -6.863 8.391 -18.049 1.00 0.00 C ATOM 493 O TYR A 116 -7.702 9.121 -18.582 1.00 0.00 O ATOM 494 CB TYR A 116 -5.265 9.828 -16.721 1.00 0.00 C ATOM 495 CG TYR A 116 -4.638 9.175 -15.505 1.00 0.00 C ATOM 496 CD1 TYR A 116 -5.346 8.191 -14.791 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.346 9.547 -15.082 1.00 0.00 C ATOM 498 CE1 TYR A 116 -4.767 7.577 -13.673 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.766 8.941 -13.951 1.00 0.00 C ATOM 500 CZ TYR A 116 -3.468 7.929 -13.258 1.00 0.00 C ATOM 501 OH TYR A 116 -2.918 7.276 -12.196 1.00 0.00 O ATOM 0 H TYR A 116 -5.962 10.160 -19.472 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.763 8.022 -17.823 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.655 10.681 -17.017 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.245 10.217 -16.446 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.340 7.908 -15.106 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.798 10.301 -15.628 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.321 6.829 -13.125 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.787 9.249 -13.614 1.00 0.00 H new ATOM 0 HH TYR A 116 -3.274 6.364 -12.153 1.00 0.00 H new ATOM 511 N THR A 117 -7.180 7.224 -17.499 1.00 0.00 N ATOM 512 CA THR A 117 -8.539 6.695 -17.477 1.00 0.00 C ATOM 513 C THR A 117 -8.823 6.228 -16.056 1.00 0.00 C ATOM 514 O THR A 117 -7.969 5.604 -15.412 1.00 0.00 O ATOM 515 CB THR A 117 -8.705 5.563 -18.510 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.003 5.861 -19.714 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.177 5.327 -18.862 1.00 0.00 C ATOM 0 H THR A 117 -6.496 6.614 -17.052 1.00 0.00 H new ATOM 0 HA THR A 117 -9.260 7.463 -17.758 1.00 0.00 H new ATOM 0 HB THR A 117 -8.294 4.664 -18.050 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.122 5.127 -20.352 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.252 4.522 -19.593 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.727 5.052 -17.962 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.601 6.239 -19.282 1.00 0.00 H new ATOM 525 N VAL A 118 -10.012 6.550 -15.548 1.00 0.00 N ATOM 526 CA VAL A 118 -10.406 6.211 -14.190 1.00 0.00 C ATOM 527 C VAL A 118 -11.865 5.768 -14.177 1.00 0.00 C ATOM 528 O VAL A 118 -12.641 6.114 -15.072 1.00 0.00 O ATOM 529 CB VAL A 118 -10.174 7.405 -13.232 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.699 7.810 -13.141 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.989 8.652 -13.624 1.00 0.00 C ATOM 0 H VAL A 118 -10.728 7.054 -16.071 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.787 5.387 -13.836 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.513 7.044 -12.261 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.594 8.651 -12.456 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.112 6.968 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.339 8.099 -14.129 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.786 9.456 -12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.706 8.971 -14.627 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.052 8.412 -13.605 1.00 0.00 H new ATOM 541 N LYS A 119 -12.247 5.080 -13.104 1.00 0.00 N ATOM 542 CA LYS A 119 -13.612 4.723 -12.769 1.00 0.00 C ATOM 543 C LYS A 119 -13.884 5.310 -11.396 1.00 0.00 C ATOM 544 O LYS A 119 -13.128 5.050 -10.461 1.00 0.00 O ATOM 545 CB LYS A 119 -13.738 3.194 -12.808 1.00 0.00 C ATOM 546 CG LYS A 119 -15.084 2.671 -12.295 1.00 0.00 C ATOM 547 CD LYS A 119 -15.178 1.158 -12.533 1.00 0.00 C ATOM 548 CE LYS A 119 -16.549 0.633 -12.071 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.717 -0.825 -12.319 1.00 0.00 N ATOM 0 H LYS A 119 -11.576 4.742 -12.414 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.348 5.116 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.593 2.853 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.938 2.757 -12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.188 2.888 -11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.901 3.180 -12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.034 0.939 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.383 0.647 -11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.671 0.833 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.337 1.179 -12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.656 -1.127 -11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.629 -1.016 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.983 -1.352 -11.803 1.00 0.00 H new ATOM 563 N PHE A 120 -14.930 6.115 -11.268 1.00 0.00 N ATOM 564 CA PHE A 120 -15.414 6.557 -9.971 1.00 0.00 C ATOM 565 C PHE A 120 -16.271 5.433 -9.393 1.00 0.00 C ATOM 566 O PHE A 120 -16.931 4.705 -10.137 1.00 0.00 O ATOM 567 CB PHE A 120 -16.243 7.837 -10.135 1.00 0.00 C ATOM 568 CG PHE A 120 -15.444 9.076 -10.483 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.669 9.714 -9.495 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.474 9.600 -11.788 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.957 10.884 -9.802 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.748 10.763 -12.098 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.985 11.405 -11.105 1.00 0.00 C ATOM 0 H PHE A 120 -15.464 6.478 -12.058 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.584 6.779 -9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.988 7.672 -10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.786 8.022 -9.208 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.622 9.302 -8.498 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.056 9.108 -12.553 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.386 11.385 -9.034 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.776 11.165 -13.100 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.423 12.296 -11.345 1.00 0.00 H new ATOM 583 N TYR A 121 -16.320 5.327 -8.063 1.00 0.00 N ATOM 584 CA TYR A 121 -16.970 4.201 -7.384 1.00 0.00 C ATOM 585 C TYR A 121 -18.480 4.138 -7.637 1.00 0.00 C ATOM 586 O TYR A 121 -19.075 3.061 -7.561 1.00 0.00 O ATOM 587 CB TYR A 121 -16.678 4.258 -5.878 1.00 0.00 C ATOM 588 CG TYR A 121 -15.227 4.539 -5.540 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.258 3.523 -5.630 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.848 5.831 -5.134 1.00 0.00 C ATOM 591 CE1 TYR A 121 -12.912 3.798 -5.319 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.508 6.108 -4.824 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.527 5.095 -4.914 1.00 0.00 C ATOM 594 OH TYR A 121 -11.234 5.381 -4.609 1.00 0.00 O ATOM 0 H TYR A 121 -15.913 6.014 -7.429 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.549 3.288 -7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.301 5.030 -5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -16.968 3.309 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.547 2.529 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.590 6.612 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.172 3.015 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.224 7.103 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.689 4.572 -4.704 1.00 0.00 H new ATOM 604 N ASP A 122 -19.102 5.281 -7.956 1.00 0.00 N ATOM 605 CA ASP A 122 -20.530 5.353 -8.282 1.00 0.00 C ATOM 606 C ASP A 122 -20.863 4.614 -9.590 1.00 0.00 C ATOM 607 O ASP A 122 -21.998 4.168 -9.772 1.00 0.00 O ATOM 608 CB ASP A 122 -20.959 6.822 -8.368 1.00 0.00 C ATOM 609 CG ASP A 122 -22.489 6.961 -8.413 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.125 6.815 -7.340 1.00 0.00 O ATOM 611 OD2 ASP A 122 -23.051 7.221 -9.504 1.00 0.00 O ATOM 0 H ASP A 122 -18.627 6.183 -7.995 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.085 4.854 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.568 7.367 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.525 7.277 -9.258 1.00 0.00 H new ATOM 616 N GLY A 123 -19.872 4.444 -10.483 1.00 0.00 N ATOM 617 CA GLY A 123 -19.968 3.653 -11.710 1.00 0.00 C ATOM 618 C GLY A 123 -19.510 4.415 -12.959 1.00 0.00 C ATOM 619 O GLY A 123 -19.294 3.792 -14.000 1.00 0.00 O ATOM 0 H GLY A 123 -18.954 4.870 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.365 2.752 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.000 3.331 -11.847 1.00 0.00 H new ATOM 623 N VAL A 124 -19.380 5.745 -12.883 1.00 0.00 N ATOM 624 CA VAL A 124 -18.945 6.591 -14.000 1.00 0.00 C ATOM 625 C VAL A 124 -17.494 6.239 -14.368 1.00 0.00 C ATOM 626 O VAL A 124 -16.678 5.958 -13.489 1.00 0.00 O ATOM 627 CB VAL A 124 -19.120 8.083 -13.614 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.714 9.046 -14.742 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.579 8.396 -13.234 1.00 0.00 C ATOM 0 H VAL A 124 -19.577 6.271 -12.031 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.557 6.412 -14.884 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.459 8.236 -12.761 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.859 10.075 -14.412 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.665 8.890 -14.994 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.330 8.857 -15.621 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.668 9.449 -12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.230 8.179 -14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.873 7.782 -12.383 1.00 0.00 H new ATOM 639 N VAL A 125 -17.153 6.313 -15.655 1.00 0.00 N ATOM 640 CA VAL A 125 -15.811 6.083 -16.188 1.00 0.00 C ATOM 641 C VAL A 125 -15.508 7.263 -17.117 1.00 0.00 C ATOM 642 O VAL A 125 -16.417 7.759 -17.788 1.00 0.00 O ATOM 643 CB VAL A 125 -15.770 4.720 -16.924 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.383 4.407 -17.507 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.163 3.551 -16.008 1.00 0.00 C ATOM 0 H VAL A 125 -17.830 6.544 -16.382 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.054 6.031 -15.406 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.495 4.819 -17.732 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.410 3.441 -18.012 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.105 5.182 -18.221 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.649 4.375 -16.702 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.119 2.618 -16.570 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.473 3.501 -15.166 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.177 3.704 -15.638 1.00 0.00 H new ATOM 655 N GLN A 126 -14.253 7.725 -17.163 1.00 0.00 N ATOM 656 CA GLN A 126 -13.839 8.814 -18.047 1.00 0.00 C ATOM 657 C GLN A 126 -12.376 8.658 -18.461 1.00 0.00 C ATOM 658 O GLN A 126 -11.581 8.083 -17.710 1.00 0.00 O ATOM 659 CB GLN A 126 -14.072 10.183 -17.362 1.00 0.00 C ATOM 660 CG GLN A 126 -13.255 10.411 -16.071 1.00 0.00 C ATOM 661 CD GLN A 126 -13.425 11.817 -15.479 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.288 12.600 -15.871 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.592 12.173 -14.508 1.00 0.00 N ATOM 0 H GLN A 126 -13.498 7.353 -16.587 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.448 8.770 -18.950 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.831 10.974 -18.072 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.132 10.279 -17.126 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.554 9.673 -15.326 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.200 10.240 -16.283 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -11.877 11.521 -14.185 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.667 13.098 -14.085 1.00 0.00 H new ATOM 672 N THR A 127 -12.020 9.259 -19.596 1.00 0.00 N ATOM 673 CA THR A 127 -10.644 9.418 -20.052 1.00 0.00 C ATOM 674 C THR A 127 -10.382 10.926 -20.030 1.00 0.00 C ATOM 675 O THR A 127 -11.202 11.712 -20.518 1.00 0.00 O ATOM 676 CB THR A 127 -10.435 8.818 -21.458 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.075 7.554 -21.569 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.942 8.674 -21.782 1.00 0.00 C ATOM 0 H THR A 127 -12.702 9.659 -20.240 1.00 0.00 H new ATOM 0 HA THR A 127 -9.944 8.883 -19.410 1.00 0.00 H new ATOM 0 HB THR A 127 -10.882 9.505 -22.177 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.931 7.192 -22.468 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.825 8.249 -22.779 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.466 9.654 -21.748 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.473 8.017 -21.050 1.00 0.00 H new ATOM 686 N VAL A 128 -9.268 11.332 -19.427 1.00 0.00 N ATOM 687 CA VAL A 128 -8.921 12.714 -19.105 1.00 0.00 C ATOM 688 C VAL A 128 -7.401 12.882 -19.268 1.00 0.00 C ATOM 689 O VAL A 128 -6.706 11.930 -19.633 1.00 0.00 O ATOM 690 CB VAL A 128 -9.449 13.056 -17.683 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.971 13.261 -17.665 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.087 12.000 -16.622 1.00 0.00 C ATOM 0 H VAL A 128 -8.546 10.673 -19.135 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.395 13.425 -19.782 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.946 13.988 -17.425 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.294 13.498 -16.651 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -11.235 14.082 -18.331 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.465 12.349 -18.000 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.487 12.304 -15.655 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.514 11.038 -16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.003 11.910 -16.554 1.00 0.00 H new ATOM 702 N LYS A 129 -6.856 14.079 -19.043 1.00 0.00 N ATOM 703 CA LYS A 129 -5.419 14.336 -19.195 1.00 0.00 C ATOM 704 C LYS A 129 -4.685 13.978 -17.908 1.00 0.00 C ATOM 705 O LYS A 129 -5.293 13.889 -16.841 1.00 0.00 O ATOM 706 CB LYS A 129 -5.183 15.807 -19.579 1.00 0.00 C ATOM 707 CG LYS A 129 -5.795 16.096 -20.955 1.00 0.00 C ATOM 708 CD LYS A 129 -5.529 17.545 -21.389 1.00 0.00 C ATOM 709 CE LYS A 129 -6.217 17.917 -22.717 1.00 0.00 C ATOM 710 NZ LYS A 129 -5.589 17.280 -23.910 1.00 0.00 N ATOM 0 H LYS A 129 -7.394 14.895 -18.752 1.00 0.00 H new ATOM 0 HA LYS A 129 -5.025 13.710 -19.995 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.627 16.462 -18.830 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.114 16.020 -19.596 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.378 15.410 -21.693 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.869 15.915 -20.923 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -5.874 18.221 -20.607 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.454 17.696 -21.489 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.266 17.624 -22.668 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.194 19.000 -22.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.099 17.572 -24.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.595 17.578 -23.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.634 16.245 -23.815 1.00 0.00 H new ATOM 724 N HIS A 130 -3.359 13.857 -17.987 1.00 0.00 N ATOM 725 CA HIS A 130 -2.485 13.698 -16.820 1.00 0.00 C ATOM 726 C HIS A 130 -2.715 14.830 -15.807 1.00 0.00 C ATOM 727 O HIS A 130 -2.824 14.558 -14.617 1.00 0.00 O ATOM 728 CB HIS A 130 -1.023 13.625 -17.297 1.00 0.00 C ATOM 729 CG HIS A 130 0.051 13.613 -16.227 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.367 14.037 -16.445 1.00 0.00 N ATOM 731 CD2 HIS A 130 -0.067 13.206 -14.922 1.00 0.00 C ATOM 732 CE1 HIS A 130 2.006 13.884 -15.273 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.171 13.388 -14.344 1.00 0.00 N ATOM 0 H HIS A 130 -2.854 13.867 -18.873 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.722 12.770 -16.301 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.909 12.725 -17.902 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.838 14.476 -17.953 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.954 12.820 -14.443 1.00 0.00 H new ATOM 0 HE1 HIS A 130 3.045 14.126 -15.102 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.413 13.181 -13.375 1.00 0.00 H new ATOM 741 N ILE A 131 -2.895 16.081 -16.255 1.00 0.00 N ATOM 742 CA ILE A 131 -3.174 17.205 -15.348 1.00 0.00 C ATOM 743 C ILE A 131 -4.468 17.035 -14.527 1.00 0.00 C ATOM 744 O ILE A 131 -4.643 17.732 -13.524 1.00 0.00 O ATOM 745 CB ILE A 131 -3.162 18.554 -16.105 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.188 18.611 -17.258 1.00 0.00 C ATOM 747 CG2 ILE A 131 -1.738 18.847 -16.608 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.416 20.021 -17.812 1.00 0.00 C ATOM 0 H ILE A 131 -2.852 16.340 -17.241 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.361 17.208 -14.622 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.467 19.329 -15.402 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.849 17.963 -18.066 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.139 18.211 -16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -1.729 19.797 -17.142 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.056 18.901 -15.759 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.418 18.051 -17.280 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.149 19.981 -18.618 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.786 20.669 -17.017 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.476 20.418 -18.195 1.00 0.00 H new ATOM 760 N HIS A 132 -5.374 16.127 -14.915 1.00 0.00 N ATOM 761 CA HIS A 132 -6.661 15.940 -14.252 1.00 0.00 C ATOM 762 C HIS A 132 -6.645 14.786 -13.247 1.00 0.00 C ATOM 763 O HIS A 132 -7.661 14.554 -12.591 1.00 0.00 O ATOM 764 CB HIS A 132 -7.749 15.674 -15.303 1.00 0.00 C ATOM 765 CG HIS A 132 -7.888 16.732 -16.365 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.095 16.473 -17.721 1.00 0.00 N ATOM 767 CD2 HIS A 132 -7.837 18.084 -16.173 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.164 17.676 -18.310 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.018 18.660 -17.408 1.00 0.00 N ATOM 0 H HIS A 132 -5.228 15.499 -15.705 1.00 0.00 H new ATOM 0 HA HIS A 132 -6.872 16.856 -13.700 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.538 14.721 -15.788 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.706 15.567 -14.792 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.685 18.599 -15.236 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.317 17.832 -19.368 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.038 19.661 -17.605 1.00 0.00 H new ATOM 777 N VAL A 133 -5.553 14.024 -13.129 1.00 0.00 N ATOM 778 CA VAL A 133 -5.474 12.870 -12.223 1.00 0.00 C ATOM 779 C VAL A 133 -4.105 12.776 -11.556 1.00 0.00 C ATOM 780 O VAL A 133 -3.071 13.068 -12.155 1.00 0.00 O ATOM 781 CB VAL A 133 -5.821 11.551 -12.959 1.00 0.00 C ATOM 782 CG1 VAL A 133 -6.004 10.386 -11.972 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.110 11.660 -13.785 1.00 0.00 C ATOM 0 H VAL A 133 -4.697 14.189 -13.659 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.216 13.022 -11.439 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.977 11.362 -13.623 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.246 9.477 -12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.081 10.236 -11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.814 10.618 -11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.307 10.709 -14.280 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.944 11.906 -13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -6.996 12.442 -14.535 1.00 0.00 H new ATOM 793 N LYS A 134 -4.079 12.291 -10.315 1.00 0.00 N ATOM 794 CA LYS A 134 -2.861 11.961 -9.586 1.00 0.00 C ATOM 795 C LYS A 134 -3.171 10.852 -8.599 1.00 0.00 C ATOM 796 O LYS A 134 -4.322 10.467 -8.446 1.00 0.00 O ATOM 797 CB LYS A 134 -2.289 13.232 -8.926 1.00 0.00 C ATOM 798 CG LYS A 134 -3.329 14.008 -8.100 1.00 0.00 C ATOM 799 CD LYS A 134 -2.686 15.176 -7.335 1.00 0.00 C ATOM 800 CE LYS A 134 -3.754 15.943 -6.537 1.00 0.00 C ATOM 801 NZ LYS A 134 -3.186 17.098 -5.783 1.00 0.00 N ATOM 0 H LYS A 134 -4.928 12.113 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.085 11.591 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.456 12.954 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -1.888 13.886 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.108 14.389 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.812 13.332 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.919 14.799 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.191 15.850 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.524 16.303 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -4.240 15.261 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.941 17.783 -5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.772 16.760 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.448 17.557 -6.355 1.00 0.00 H new ATOM 815 N ALA A 135 -2.140 10.330 -7.941 1.00 0.00 N ATOM 816 CA ALA A 135 -2.247 9.362 -6.858 1.00 0.00 C ATOM 817 C ALA A 135 -3.152 9.889 -5.740 1.00 0.00 C ATOM 818 O ALA A 135 -3.470 11.074 -5.705 1.00 0.00 O ATOM 819 CB ALA A 135 -0.832 9.121 -6.324 1.00 0.00 C ATOM 0 H ALA A 135 -1.174 10.579 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.690 8.435 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.869 8.399 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.202 8.732 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.416 10.060 -5.959 1.00 0.00 H new ATOM 825 N PHE A 136 -3.517 9.023 -4.788 1.00 0.00 N ATOM 826 CA PHE A 136 -4.182 9.481 -3.566 1.00 0.00 C ATOM 827 C PHE A 136 -3.213 10.298 -2.677 1.00 0.00 C ATOM 828 O PHE A 136 -3.591 10.747 -1.598 1.00 0.00 O ATOM 829 CB PHE A 136 -4.859 8.309 -2.830 1.00 0.00 C ATOM 830 CG PHE A 136 -5.816 8.770 -1.741 1.00 0.00 C ATOM 831 CD1 PHE A 136 -7.062 9.336 -2.082 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.460 8.643 -0.383 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.913 9.833 -1.076 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.318 9.126 0.620 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.536 9.733 0.275 1.00 0.00 C ATOM 0 H PHE A 136 -3.365 8.016 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.985 10.165 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -5.403 7.699 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.093 7.672 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -7.364 9.388 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.526 8.173 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.854 10.291 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.040 9.030 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.183 10.123 1.047 1.00 0.00 H new ATOM 845 N SER A 137 -1.971 10.523 -3.115 1.00 0.00 N ATOM 846 CA SER A 137 -1.038 11.439 -2.491 1.00 0.00 C ATOM 847 C SER A 137 -1.586 12.872 -2.565 1.00 0.00 C ATOM 848 O SER A 137 -2.187 13.261 -3.566 1.00 0.00 O ATOM 849 CB SER A 137 0.295 11.346 -3.239 1.00 0.00 C ATOM 850 OG SER A 137 0.650 9.988 -3.443 1.00 0.00 O ATOM 0 H SER A 137 -1.586 10.056 -3.936 1.00 0.00 H new ATOM 0 HA SER A 137 -0.897 11.179 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.218 11.857 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.075 11.852 -2.670 1.00 0.00 H new ATOM 0 HG SER A 137 1.626 9.905 -3.463 1.00 0.00 H new ATOM 856 N LYS A 138 -1.369 13.660 -1.508 1.00 0.00 N ATOM 857 CA LYS A 138 -1.901 15.021 -1.409 1.00 0.00 C ATOM 858 C LYS A 138 -1.256 15.929 -2.455 1.00 0.00 C ATOM 859 O LYS A 138 -1.954 16.549 -3.256 1.00 0.00 O ATOM 860 CB LYS A 138 -1.652 15.546 0.024 1.00 0.00 C ATOM 861 CG LYS A 138 -2.234 16.953 0.254 1.00 0.00 C ATOM 862 CD LYS A 138 -1.939 17.494 1.665 1.00 0.00 C ATOM 863 CE LYS A 138 -2.569 16.696 2.824 1.00 0.00 C ATOM 864 NZ LYS A 138 -4.046 16.868 2.918 1.00 0.00 N ATOM 0 H LYS A 138 -0.820 13.372 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.973 15.016 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.093 14.854 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.580 15.565 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.822 17.638 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -3.312 16.926 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.859 17.518 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -2.291 18.524 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -2.340 15.638 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -2.112 17.009 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -4.408 16.322 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -4.270 17.875 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -4.492 16.528 2.042 1.00 0.00 H new ATOM 878 N ASP A 139 0.077 15.997 -2.447 1.00 0.00 N ATOM 879 CA ASP A 139 0.810 16.999 -3.219 1.00 0.00 C ATOM 880 C ASP A 139 0.781 16.747 -4.728 1.00 0.00 C ATOM 881 O ASP A 139 0.158 17.514 -5.463 1.00 0.00 O ATOM 882 CB ASP A 139 2.250 17.104 -2.701 1.00 0.00 C ATOM 883 CG ASP A 139 3.044 18.181 -3.463 1.00 0.00 C ATOM 884 OD1 ASP A 139 2.605 19.356 -3.491 1.00 0.00 O ATOM 885 OD2 ASP A 139 4.111 17.853 -4.031 1.00 0.00 O ATOM 0 H ASP A 139 0.672 15.366 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 139 0.300 17.951 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.239 17.342 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 139 2.748 16.140 -2.807 1.00 0.00 H new ATOM 890 N GLN A 140 1.417 15.666 -5.197 1.00 0.00 N ATOM 891 CA GLN A 140 1.669 15.415 -6.621 1.00 0.00 C ATOM 892 C GLN A 140 1.619 13.912 -6.938 1.00 0.00 C ATOM 893 O GLN A 140 1.330 13.088 -6.075 1.00 0.00 O ATOM 894 CB GLN A 140 3.035 16.035 -7.011 1.00 0.00 C ATOM 895 CG GLN A 140 2.976 17.562 -7.198 1.00 0.00 C ATOM 896 CD GLN A 140 4.347 18.134 -7.548 1.00 0.00 C ATOM 897 OE1 GLN A 140 4.700 18.264 -8.717 1.00 0.00 O ATOM 898 NE2 GLN A 140 5.145 18.479 -6.553 1.00 0.00 N ATOM 0 H GLN A 140 1.776 14.930 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 140 0.885 15.886 -7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.768 15.798 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.385 15.575 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.266 17.806 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 140 2.608 18.028 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.836 18.364 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 140 6.070 18.860 -6.750 1.00 0.00 H new ATOM 907 N ASN A 141 1.858 13.572 -8.209 1.00 0.00 N ATOM 908 CA ASN A 141 1.668 12.238 -8.781 1.00 0.00 C ATOM 909 C ASN A 141 2.748 11.260 -8.309 1.00 0.00 C ATOM 910 O ASN A 141 3.753 11.668 -7.726 1.00 0.00 O ATOM 911 CB ASN A 141 1.701 12.373 -10.321 1.00 0.00 C ATOM 912 CG ASN A 141 0.886 11.335 -11.068 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.193 10.156 -11.011 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.155 11.716 -11.777 1.00 0.00 N ATOM 0 H ASN A 141 2.202 14.246 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 141 0.711 11.836 -8.449 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.338 13.364 -10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.737 12.311 -10.655 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.709 11.024 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.408 12.703 -11.822 1.00 0.00 H new ATOM 921 N ILE A 142 2.578 9.971 -8.620 1.00 0.00 N ATOM 922 CA ILE A 142 3.497 8.888 -8.277 1.00 0.00 C ATOM 923 C ILE A 142 3.796 7.997 -9.509 1.00 0.00 C ATOM 924 O ILE A 142 4.826 7.326 -9.536 1.00 0.00 O ATOM 925 CB ILE A 142 2.910 8.091 -7.084 1.00 0.00 C ATOM 926 CG1 ILE A 142 2.683 8.948 -5.812 1.00 0.00 C ATOM 927 CG2 ILE A 142 3.775 6.876 -6.716 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.948 9.471 -5.118 1.00 0.00 C ATOM 0 H ILE A 142 1.763 9.644 -9.138 1.00 0.00 H new ATOM 0 HA ILE A 142 4.459 9.299 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 142 1.936 7.753 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.060 9.802 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.118 8.354 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.324 6.349 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 142 3.841 6.204 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.775 7.211 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.667 10.056 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 142 4.568 8.629 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.509 10.100 -5.810 1.00 0.00 H new ATOM 940 N VAL A 143 2.960 8.014 -10.557 1.00 0.00 N ATOM 941 CA VAL A 143 3.042 7.064 -11.680 1.00 0.00 C ATOM 942 C VAL A 143 3.310 7.774 -13.016 1.00 0.00 C ATOM 943 O VAL A 143 4.103 7.266 -13.810 1.00 0.00 O ATOM 944 CB VAL A 143 1.792 6.151 -11.682 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.461 6.912 -11.821 1.00 0.00 C ATOM 946 CG2 VAL A 143 1.852 5.077 -12.780 1.00 0.00 C ATOM 0 H VAL A 143 2.203 8.691 -10.652 1.00 0.00 H new ATOM 0 HA VAL A 143 3.907 6.415 -11.544 1.00 0.00 H new ATOM 0 HB VAL A 143 1.814 5.680 -10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.366 6.202 -11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.350 7.607 -10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.455 7.467 -12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.952 4.463 -12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.919 5.558 -13.756 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.728 4.447 -12.625 1.00 0.00 H new ATOM 956 N GLY A 144 2.722 8.955 -13.259 1.00 0.00 N ATOM 957 CA GLY A 144 2.994 9.717 -14.482 1.00 0.00 C ATOM 958 C GLY A 144 4.427 10.249 -14.449 1.00 0.00 C ATOM 959 O GLY A 144 5.198 10.045 -15.388 1.00 0.00 O ATOM 0 H GLY A 144 2.058 9.400 -12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.851 9.082 -15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 144 2.290 10.545 -14.570 1.00 0.00 H new ATOM 963 N ASN A 145 4.797 10.876 -13.327 1.00 0.00 N ATOM 964 CA ASN A 145 6.157 11.276 -12.976 1.00 0.00 C ATOM 965 C ASN A 145 6.135 11.499 -11.463 1.00 0.00 C ATOM 966 O ASN A 145 5.343 12.313 -10.989 1.00 0.00 O ATOM 967 CB ASN A 145 6.558 12.567 -13.712 1.00 0.00 C ATOM 968 CG ASN A 145 7.946 13.040 -13.290 1.00 0.00 C ATOM 969 OD1 ASN A 145 8.083 14.054 -12.615 1.00 0.00 O ATOM 970 ND2 ASN A 145 8.997 12.330 -13.670 1.00 0.00 N ATOM 0 H ASN A 145 4.121 11.129 -12.607 1.00 0.00 H new ATOM 0 HA ASN A 145 6.887 10.519 -13.264 1.00 0.00 H new ATOM 0 HB2 ASN A 145 6.542 12.394 -14.788 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.827 13.348 -13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.936 12.625 -13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.868 11.488 -14.232 1.00 0.00 H new ATOM 977 N ALA A 146 6.899 10.722 -10.695 1.00 0.00 N ATOM 978 CA ALA A 146 6.776 10.706 -9.238 1.00 0.00 C ATOM 979 C ALA A 146 7.284 12.002 -8.594 1.00 0.00 C ATOM 980 O ALA A 146 8.430 12.394 -8.828 1.00 0.00 O ATOM 981 CB ALA A 146 7.533 9.499 -8.668 1.00 0.00 C ATOM 0 H ALA A 146 7.613 10.092 -11.061 1.00 0.00 H new ATOM 0 HA ALA A 146 5.716 10.625 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 146 7.439 9.490 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 146 7.112 8.580 -9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 146 8.586 9.568 -8.941 1.00 0.00 H new ATOM 987 N ARG A 147 6.457 12.620 -7.739 1.00 0.00 N ATOM 988 CA ARG A 147 6.833 13.739 -6.864 1.00 0.00 C ATOM 989 C ARG A 147 6.084 13.735 -5.523 1.00 0.00 C ATOM 990 O ARG A 147 6.555 14.391 -4.591 1.00 0.00 O ATOM 991 CB ARG A 147 6.606 15.094 -7.568 1.00 0.00 C ATOM 992 CG ARG A 147 7.758 15.548 -8.487 1.00 0.00 C ATOM 993 CD ARG A 147 7.385 15.542 -9.971 1.00 0.00 C ATOM 994 NE ARG A 147 6.412 16.606 -10.287 1.00 0.00 N ATOM 995 CZ ARG A 147 6.019 16.997 -11.502 1.00 0.00 C ATOM 996 NH1 ARG A 147 6.508 16.418 -12.593 1.00 0.00 N ATOM 997 NH2 ARG A 147 5.128 17.977 -11.602 1.00 0.00 N ATOM 0 H ARG A 147 5.480 12.347 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 147 7.893 13.604 -6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 147 5.692 15.032 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 147 6.443 15.859 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 147 8.067 16.553 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 147 8.616 14.894 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.283 15.678 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 147 6.965 14.572 -10.238 1.00 0.00 H new ATOM 0 HE ARG A 147 5.996 17.094 -9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 147 7.192 15.666 -12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 147 6.200 16.726 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 147 4.757 18.417 -10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 147 4.815 18.290 -12.521 1.00 0.00 H new ATOM 1011 N GLY A 200 4.940 13.046 -5.402 1.00 0.00 N ATOM 1012 CA GLY A 200 4.171 13.028 -4.154 1.00 0.00 C ATOM 1013 C GLY A 200 4.915 12.341 -3.012 1.00 0.00 C ATOM 1014 O GLY A 200 5.898 11.625 -3.237 1.00 0.00 O ATOM 0 H GLY A 200 4.529 12.494 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 200 3.934 14.052 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 200 3.223 12.517 -4.324 1.00 0.00 H new ATOM 1018 N SER A 201 4.414 12.549 -1.787 1.00 0.00 N ATOM 1019 CA SER A 201 5.147 12.167 -0.580 1.00 0.00 C ATOM 1020 C SER A 201 4.286 11.720 0.619 1.00 0.00 C ATOM 1021 O SER A 201 4.819 11.079 1.531 1.00 0.00 O ATOM 1022 CB SER A 201 6.000 13.395 -0.229 1.00 0.00 C ATOM 1023 OG SER A 201 5.184 14.549 -0.037 1.00 0.00 O ATOM 0 H SER A 201 3.506 12.979 -1.609 1.00 0.00 H new ATOM 0 HA SER A 201 5.732 11.272 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.573 13.197 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 201 6.719 13.583 -1.027 1.00 0.00 H new ATOM 0 HG SER A 201 5.751 15.317 0.187 1.00 0.00 H new ATOM 1029 N ARG A 363 2.977 12.022 0.651 1.00 0.00 N ATOM 1030 CA ARG A 363 2.089 11.699 1.778 1.00 0.00 C ATOM 1031 C ARG A 363 0.668 11.540 1.250 1.00 0.00 C ATOM 1032 O ARG A 363 0.302 12.232 0.298 1.00 0.00 O ATOM 1033 CB ARG A 363 2.189 12.836 2.817 1.00 0.00 C ATOM 1034 CG ARG A 363 1.484 12.516 4.145 1.00 0.00 C ATOM 1035 CD ARG A 363 1.685 13.650 5.162 1.00 0.00 C ATOM 1036 NE ARG A 363 1.002 13.359 6.438 1.00 0.00 N ATOM 1037 CZ ARG A 363 1.515 12.705 7.493 1.00 0.00 C ATOM 1038 NH1 ARG A 363 2.762 12.228 7.467 1.00 0.00 N ATOM 1039 NH2 ARG A 363 0.772 12.530 8.581 1.00 0.00 N ATOM 0 H ARG A 363 2.502 12.502 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 363 2.378 10.765 2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 363 3.240 13.046 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.757 13.743 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 363 0.419 12.366 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 363 1.874 11.584 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 363 2.750 13.794 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 363 1.303 14.583 4.748 1.00 0.00 H new ATOM 0 HE ARG A 363 0.041 13.689 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 363 3.341 12.358 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 363 3.136 11.734 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 363 -0.181 12.891 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 363 1.155 12.034 9.386 1.00 0.00 H new ATOM 1053 N ALA A 364 -0.127 10.647 1.843 1.00 0.00 N ATOM 1054 CA ALA A 364 -1.531 10.441 1.483 1.00 0.00 C ATOM 1055 C ALA A 364 -2.362 11.705 1.745 1.00 0.00 C ATOM 1056 O ALA A 364 -2.042 12.501 2.631 1.00 0.00 O ATOM 1057 CB ALA A 364 -2.093 9.254 2.278 1.00 0.00 C ATOM 0 H ALA A 364 0.191 10.038 2.597 1.00 0.00 H new ATOM 0 HA ALA A 364 -1.590 10.223 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 364 -3.138 9.100 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 364 -1.522 8.356 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 364 -2.018 9.463 3.345 1.00 0.00 H new ATOM 1063 N HIS A 365 -3.444 11.874 0.984 1.00 0.00 N ATOM 1064 CA HIS A 365 -4.420 12.939 1.187 1.00 0.00 C ATOM 1065 C HIS A 365 -5.366 12.598 2.350 1.00 0.00 C ATOM 1066 O HIS A 365 -5.330 11.489 2.895 1.00 0.00 O ATOM 1067 CB HIS A 365 -5.197 13.194 -0.115 1.00 0.00 C ATOM 1068 CG HIS A 365 -5.913 14.517 -0.147 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -5.594 15.630 0.644 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -6.970 14.827 -0.948 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -6.445 16.596 0.256 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -7.281 16.140 -0.686 1.00 0.00 N ATOM 0 H HIS A 365 -3.668 11.264 0.198 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.894 13.855 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.505 13.146 -0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -5.924 12.394 -0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -7.465 14.172 -1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -6.453 17.602 0.650 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -8.024 16.677 -1.134 1.00 0.00 H new ATOM 1080 N SER A 366 -6.212 13.559 2.729 1.00 0.00 N ATOM 1081 CA SER A 366 -7.064 13.491 3.909 1.00 0.00 C ATOM 1082 C SER A 366 -8.380 14.274 3.731 1.00 0.00 C ATOM 1083 O SER A 366 -9.146 14.407 4.691 1.00 0.00 O ATOM 1084 CB SER A 366 -6.246 13.963 5.126 1.00 0.00 C ATOM 1085 OG SER A 366 -5.427 15.104 4.852 1.00 0.00 O ATOM 0 H SER A 366 -6.323 14.428 2.206 1.00 0.00 H new ATOM 0 HA SER A 366 -7.378 12.460 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.928 14.202 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 366 -5.613 13.144 5.469 1.00 0.00 H new ATOM 0 HG SER A 366 -5.993 15.852 4.568 1.00 0.00 H new ATOM 1091 N SER A 367 -8.676 14.766 2.518 1.00 0.00 N ATOM 1092 CA SER A 367 -9.819 15.638 2.243 1.00 0.00 C ATOM 1093 C SER A 367 -10.455 15.277 0.890 1.00 0.00 C ATOM 1094 O SER A 367 -9.994 14.362 0.203 1.00 0.00 O ATOM 1095 CB SER A 367 -9.365 17.116 2.272 1.00 0.00 C ATOM 1096 OG SER A 367 -8.526 17.407 3.386 1.00 0.00 O ATOM 0 H SER A 367 -8.116 14.563 1.690 1.00 0.00 H new ATOM 0 HA SER A 367 -10.576 15.494 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.832 17.347 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 367 -10.243 17.762 2.304 1.00 0.00 H new ATOM 0 HG SER A 367 -8.264 18.351 3.360 1.00 0.00 H new ATOM 1102 N HIS A 368 -11.503 16.021 0.500 1.00 0.00 N ATOM 1103 CA HIS A 368 -12.162 15.949 -0.812 1.00 0.00 C ATOM 1104 C HIS A 368 -12.726 14.558 -1.139 1.00 0.00 C ATOM 1105 O HIS A 368 -12.820 14.180 -2.310 1.00 0.00 O ATOM 1106 CB HIS A 368 -11.246 16.512 -1.918 1.00 0.00 C ATOM 1107 CG HIS A 368 -10.668 17.872 -1.608 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -9.305 18.160 -1.485 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -11.384 19.018 -1.400 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -9.234 19.472 -1.202 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -10.466 20.009 -1.138 1.00 0.00 N ATOM 0 H HIS A 368 -11.930 16.715 1.114 1.00 0.00 H new ATOM 0 HA HIS A 368 -13.042 16.590 -0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -10.428 15.812 -2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.812 16.573 -2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -12.458 19.124 -1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -8.316 20.019 -1.047 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -10.682 20.984 -0.931 1.00 0.00 H new ATOM 1119 N LEU A 369 -13.094 13.778 -0.112 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.844 12.538 -0.302 1.00 0.00 C ATOM 1121 C LEU A 369 -15.275 12.912 -0.724 1.00 0.00 C ATOM 1122 O LEU A 369 -15.745 14.019 -0.449 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.851 11.684 0.983 1.00 0.00 C ATOM 1124 CG LEU A 369 -12.463 11.330 1.564 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -12.638 10.476 2.825 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.577 10.573 0.569 1.00 0.00 C ATOM 0 H LEU A 369 -12.880 13.990 0.863 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.370 11.934 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -14.419 12.216 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -14.385 10.756 0.777 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.966 12.272 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -11.659 10.227 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -13.210 11.034 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -13.170 9.559 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.616 10.352 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -12.065 9.641 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.419 11.187 -0.318 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.987 11.977 -1.364 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.312 12.235 -1.945 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.596 11.208 -3.048 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.399 11.040 -3.994 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.413 9.732 -4.800 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.625 9.560 -5.738 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.559 10.373 -6.997 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.529 11.860 -6.838 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -18.604 9.963 -7.991 1.00 0.00 C HETATM 1147 C M2L A 370 -18.445 12.174 -0.905 1.00 0.00 C HETATM 1148 O M2L A 370 -19.606 12.369 -1.260 1.00 0.00 O HETATM 0 HM2B M2L A 370 -18.462 8.915 -8.257 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -19.594 10.096 -7.554 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -18.431 12.189 -6.322 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -16.653 12.146 -6.256 1.00 0.00 H new HETATM 0 HN M2L A 370 -15.419 11.205 -1.713 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -18.517 10.579 -8.886 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.481 12.330 -7.820 1.00 0.00 H new HETATM 0 HEA M2L A 370 -17.715 8.507 -6.005 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.530 9.829 -5.194 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.501 9.679 -5.395 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.389 8.893 -4.104 1.00 0.00 H new HETATM 0 HBA M2L A 370 -17.839 10.247 -2.595 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.470 11.521 -3.620 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.289 13.248 -2.348 1.00 0.00 H new ATOM 1164 N SER A 371 -18.108 11.842 0.350 1.00 0.00 N ATOM 1165 CA SER A 371 -18.993 11.553 1.490 1.00 0.00 C ATOM 1166 C SER A 371 -19.725 10.203 1.377 1.00 0.00 C ATOM 1167 O SER A 371 -19.957 9.548 2.395 1.00 0.00 O ATOM 1168 CB SER A 371 -19.948 12.722 1.794 1.00 0.00 C ATOM 1169 OG SER A 371 -19.237 13.949 1.946 1.00 0.00 O ATOM 0 H SER A 371 -17.127 11.762 0.617 1.00 0.00 H new ATOM 0 HA SER A 371 -18.337 11.448 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 371 -20.675 12.819 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 371 -20.508 12.509 2.705 1.00 0.00 H new ATOM 0 HG SER A 371 -19.870 14.672 2.136 1.00 0.00 H new ATOM 1175 N LYS A 372 -19.988 9.705 0.159 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.486 8.341 -0.067 1.00 0.00 C ATOM 1177 C LYS A 372 -19.489 7.284 0.438 1.00 0.00 C ATOM 1178 O LYS A 372 -19.888 6.163 0.762 1.00 0.00 O ATOM 1179 CB LYS A 372 -20.840 8.168 -1.561 1.00 0.00 C ATOM 1180 CG LYS A 372 -21.591 6.851 -1.843 1.00 0.00 C ATOM 1181 CD LYS A 372 -22.145 6.711 -3.273 1.00 0.00 C ATOM 1182 CE LYS A 372 -23.260 7.726 -3.585 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.084 7.332 -4.762 1.00 0.00 N ATOM 0 H LYS A 372 -19.860 10.240 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.395 8.186 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -21.454 9.009 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -19.925 8.194 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -20.917 6.017 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -22.418 6.764 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -21.332 6.841 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -22.531 5.701 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -23.906 7.829 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -22.814 8.704 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -24.786 8.074 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -23.468 7.209 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.574 6.437 -4.559 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.197 7.630 0.533 1.00 0.00 N ATOM 1198 CA LYS A 373 -17.165 6.756 1.098 1.00 0.00 C ATOM 1199 C LYS A 373 -17.358 6.500 2.604 1.00 0.00 C ATOM 1200 O LYS A 373 -16.730 5.575 3.130 1.00 0.00 O ATOM 1201 CB LYS A 373 -15.765 7.354 0.852 1.00 0.00 C ATOM 1202 CG LYS A 373 -15.381 7.536 -0.632 1.00 0.00 C ATOM 1203 CD LYS A 373 -15.473 6.270 -1.506 1.00 0.00 C ATOM 1204 CE LYS A 373 -14.567 5.128 -1.006 1.00 0.00 C ATOM 1205 NZ LYS A 373 -14.661 3.911 -1.865 1.00 0.00 N ATOM 0 H LYS A 373 -17.839 8.531 0.217 1.00 0.00 H new ATOM 0 HA LYS A 373 -17.257 5.796 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.709 8.324 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -15.024 6.711 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -16.026 8.301 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -14.360 7.915 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -16.506 5.924 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -15.200 6.522 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -13.533 5.473 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -14.843 4.870 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -14.034 3.171 -1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -15.642 3.564 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -14.373 4.148 -2.836 1.00 0.00 H new ATOM 1219 N GLY A 374 -18.149 7.320 3.307 1.00 0.00 N ATOM 1220 CA GLY A 374 -18.403 7.182 4.737 1.00 0.00 C ATOM 1221 C GLY A 374 -18.993 5.810 5.047 1.00 0.00 C ATOM 1222 O GLY A 374 -19.974 5.417 4.377 1.00 0.00 O ATOM 1223 OXT GLY A 374 -18.490 5.133 5.972 1.00 0.00 O ATOM 0 H GLY A 374 -18.637 8.111 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -17.475 7.318 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -19.089 7.962 5.067 1.00 0.00 H new TER 1227 GLY A 374