USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 SER OG : rot -52:sc= 1.25 USER MOD Set 1.2: A 134 HIS : no HD1:sc=-0.00838 X(o=1.2,f=1.1) USER MOD Set 2.1: A 121 GLN : amide:sc= 0.766 K(o=1.4,f=-0.18) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.6 K(o=1.4,f=-1.4!) USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0.511 USER MOD Set 3.2: A 104 SER OG : rot 95:sc= 0.56 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.482 USER MOD Set 4.2: A 100 THR OG1 : rot -68:sc= 0.524 USER MOD Set 5.1: A 21 THR OG1 : rot 86:sc= 2.07 USER MOD Set 5.2: A 70 TYR OH : rot -9:sc= 0.401 USER MOD Set 6.1: A 37 HIS : no HE2:sc= -0.788 K(o=-0.75,f=-2.9!) USER MOD Set 6.2: A 39 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.489 (180deg=-0.497) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00167 (180deg=-0.145) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 130:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.2) USER MOD Single : A 30 ASN : amide:sc= -0.375 K(o=-0.38,f=-1.6) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00171 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -165:sc= 0 (180deg=-0.355) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0.942 (180deg=0.912) USER MOD Single : A 61 SER OG : rot -81:sc= 0.986 USER MOD Single : A 62 MET CE :methyl 168:sc= 0 (180deg=-0.0912) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 163:sc= 0.72 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00842 X(o=-0.0084,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.17) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.16) USER MOD Single : A 116 GLN : amide:sc= -0.611 K(o=-0.61,f=-1.3!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 126 ASN : amide:sc= 0.769 K(o=0.77,f=-1.1) USER MOD Single : A 128 LYS NZ :NH3+ 179:sc= 0.931 (180deg=0.931) USER MOD Single : A 130 HIS : no HD1:sc= 0.843 K(o=0.84,f=-2.6!) USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.582 12.945 13.625 1.00 0.00 N ATOM 2 CA MET A 1 -0.918 13.392 12.406 1.00 0.00 C ATOM 3 C MET A 1 -1.232 12.459 11.241 1.00 0.00 C ATOM 4 O MET A 1 -1.026 11.250 11.329 1.00 0.00 O ATOM 5 CB MET A 1 0.592 13.476 12.626 1.00 0.00 C ATOM 6 CG MET A 1 1.021 14.508 13.659 1.00 0.00 C ATOM 7 SD MET A 1 0.575 16.191 13.188 1.00 0.00 S ATOM 8 CE MET A 1 1.676 16.457 11.802 1.00 0.00 C ATOM 0 H1 MET A 1 -1.510 13.686 14.351 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.584 12.754 13.424 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.126 12.076 13.970 1.00 0.00 H new ATOM 0 HA MET A 1 -1.294 14.385 12.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.957 12.497 12.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.073 13.709 11.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.561 14.269 14.618 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.100 14.448 13.800 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.545 17.470 11.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.708 16.322 12.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.447 15.741 11.013 1.00 0.00 H new ATOM 20 N ASN A 2 -1.735 13.029 10.150 1.00 0.00 N ATOM 21 CA ASN A 2 -1.966 12.268 8.927 1.00 0.00 C ATOM 22 C ASN A 2 -0.841 12.499 7.923 1.00 0.00 C ATOM 23 O ASN A 2 -0.513 13.639 7.592 1.00 0.00 O ATOM 24 CB ASN A 2 -3.306 12.610 8.305 1.00 0.00 C ATOM 25 CG ASN A 2 -4.485 12.236 9.160 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.728 11.055 9.436 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.263 13.226 9.515 1.00 0.00 N ATOM 0 H ASN A 2 -1.990 14.015 10.088 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.980 11.212 9.197 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.340 13.681 8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.390 12.102 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.115 13.041 10.044 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.018 14.183 9.262 1.00 0.00 H new ATOM 34 N ILE A 3 -0.253 11.409 7.443 1.00 0.00 N ATOM 35 CA ILE A 3 0.828 11.491 6.468 1.00 0.00 C ATOM 36 C ILE A 3 0.379 10.973 5.106 1.00 0.00 C ATOM 37 O ILE A 3 -0.185 9.883 4.999 1.00 0.00 O ATOM 38 CB ILE A 3 2.065 10.698 6.927 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.537 11.192 8.299 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.183 10.817 5.903 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.948 12.646 8.317 1.00 0.00 C ATOM 0 H ILE A 3 -0.507 10.459 7.713 1.00 0.00 H new ATOM 0 HA ILE A 3 1.096 12.544 6.383 1.00 0.00 H new ATOM 0 HB ILE A 3 1.790 9.647 7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.737 11.042 9.024 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.380 10.582 8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.050 10.251 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.843 10.421 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.458 11.865 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.269 12.921 9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.770 12.800 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.101 13.267 8.024 1.00 0.00 H new ATOM 53 N THR A 4 0.636 11.760 4.065 1.00 0.00 N ATOM 54 CA THR A 4 0.168 11.431 2.725 1.00 0.00 C ATOM 55 C THR A 4 1.332 11.319 1.749 1.00 0.00 C ATOM 56 O THR A 4 2.259 12.129 1.775 1.00 0.00 O ATOM 57 CB THR A 4 -0.830 12.481 2.202 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.933 12.590 3.111 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.348 12.087 0.828 1.00 0.00 C ATOM 0 H THR A 4 1.166 12.630 4.125 1.00 0.00 H new ATOM 0 HA THR A 4 -0.337 10.468 2.795 1.00 0.00 H new ATOM 0 HB THR A 4 -0.318 13.440 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.566 13.259 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.052 12.841 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.513 12.015 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.851 11.122 0.892 1.00 0.00 H new ATOM 67 N VAL A 5 1.280 10.310 0.884 1.00 0.00 N ATOM 68 CA VAL A 5 2.278 10.149 -0.166 1.00 0.00 C ATOM 69 C VAL A 5 1.617 9.897 -1.518 1.00 0.00 C ATOM 70 O VAL A 5 0.480 9.438 -1.586 1.00 0.00 O ATOM 71 CB VAL A 5 3.245 8.992 0.146 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.062 9.303 1.392 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.480 7.690 0.324 1.00 0.00 C ATOM 0 H VAL A 5 0.556 9.591 0.891 1.00 0.00 H new ATOM 0 HA VAL A 5 2.844 11.080 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 5 3.928 8.878 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.740 8.475 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.639 10.213 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.392 9.444 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.180 6.884 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.774 7.793 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.937 7.459 -0.592 1.00 0.00 H new ATOM 83 N GLU A 6 2.343 10.203 -2.590 1.00 0.00 N ATOM 84 CA GLU A 6 1.780 10.140 -3.934 1.00 0.00 C ATOM 85 C GLU A 6 2.848 9.751 -4.952 1.00 0.00 C ATOM 86 O GLU A 6 3.991 10.200 -4.874 1.00 0.00 O ATOM 87 CB GLU A 6 1.150 11.482 -4.316 1.00 0.00 C ATOM 88 CG GLU A 6 0.477 11.494 -5.680 1.00 0.00 C ATOM 89 CD GLU A 6 -0.160 12.827 -5.962 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.148 13.666 -5.094 1.00 0.00 O ATOM 91 OE2 GLU A 6 -0.560 13.046 -7.082 1.00 0.00 O ATOM 0 H GLU A 6 3.319 10.496 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 6 1.004 9.375 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.414 11.753 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.923 12.250 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.212 11.269 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.280 10.711 -5.722 1.00 0.00 H new ATOM 98 N THR A 7 2.465 8.909 -5.907 1.00 0.00 N ATOM 99 CA THR A 7 3.370 8.504 -6.976 1.00 0.00 C ATOM 100 C THR A 7 2.605 8.195 -8.258 1.00 0.00 C ATOM 101 O THR A 7 1.531 7.594 -8.223 1.00 0.00 O ATOM 102 CB THR A 7 4.202 7.271 -6.575 1.00 0.00 C ATOM 103 OG1 THR A 7 5.245 7.062 -7.536 1.00 0.00 O ATOM 104 CG2 THR A 7 3.321 6.033 -6.510 1.00 0.00 C ATOM 0 H THR A 7 1.535 8.494 -5.962 1.00 0.00 H new ATOM 0 HA THR A 7 4.043 9.343 -7.152 1.00 0.00 H new ATOM 0 HB THR A 7 4.636 7.448 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.101 6.957 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.925 5.171 -6.225 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.534 6.185 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.872 5.854 -7.487 1.00 0.00 H new ATOM 112 N THR A 8 3.166 8.610 -9.391 1.00 0.00 N ATOM 113 CA THR A 8 2.556 8.342 -10.688 1.00 0.00 C ATOM 114 C THR A 8 3.311 7.251 -11.437 1.00 0.00 C ATOM 115 O THR A 8 4.528 7.330 -11.607 1.00 0.00 O ATOM 116 CB THR A 8 2.506 9.610 -11.560 1.00 0.00 C ATOM 117 OG1 THR A 8 1.702 10.606 -10.915 1.00 0.00 O ATOM 118 CG2 THR A 8 1.916 9.295 -12.926 1.00 0.00 C ATOM 0 H THR A 8 4.041 9.132 -9.436 1.00 0.00 H new ATOM 0 HA THR A 8 1.538 8.006 -10.493 1.00 0.00 H new ATOM 0 HB THR A 8 3.522 9.982 -11.691 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.673 11.413 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.888 10.203 -13.529 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.532 8.547 -13.425 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.904 8.909 -12.805 1.00 0.00 H new ATOM 126 N VAL A 9 2.583 6.233 -11.883 1.00 0.00 N ATOM 127 CA VAL A 9 3.197 5.075 -12.520 1.00 0.00 C ATOM 128 C VAL A 9 2.709 4.914 -13.956 1.00 0.00 C ATOM 129 O VAL A 9 1.582 5.285 -14.284 1.00 0.00 O ATOM 130 CB VAL A 9 2.904 3.779 -11.740 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.506 3.850 -10.344 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.406 3.531 -11.661 1.00 0.00 C ATOM 0 H VAL A 9 1.566 6.187 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 9 4.273 5.251 -12.522 1.00 0.00 H new ATOM 0 HB VAL A 9 3.363 2.946 -12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.290 2.926 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.585 3.981 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.075 4.693 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.218 2.611 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.925 4.366 -11.152 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.999 3.437 -12.668 1.00 0.00 H new ATOM 142 N ALA A 10 3.565 4.358 -14.807 1.00 0.00 N ATOM 143 CA ALA A 10 3.209 4.122 -16.201 1.00 0.00 C ATOM 144 C ALA A 10 2.878 2.653 -16.442 1.00 0.00 C ATOM 145 O ALA A 10 3.724 1.880 -16.887 1.00 0.00 O ATOM 146 CB ALA A 10 4.341 4.566 -17.116 1.00 0.00 C ATOM 0 H ALA A 10 4.509 4.063 -14.556 1.00 0.00 H new ATOM 0 HA ALA A 10 2.320 4.710 -16.428 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.062 4.384 -18.154 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.529 5.630 -16.972 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.243 4.002 -16.879 1.00 0.00 H new ATOM 152 N ALA A 11 1.639 2.275 -16.140 1.00 0.00 N ATOM 153 CA ALA A 11 1.164 0.926 -16.420 1.00 0.00 C ATOM 154 C ALA A 11 -0.339 0.916 -16.677 1.00 0.00 C ATOM 155 O ALA A 11 -1.046 1.887 -16.410 1.00 0.00 O ATOM 156 CB ALA A 11 1.511 -0.005 -15.268 1.00 0.00 C ATOM 0 H ALA A 11 0.948 2.884 -15.702 1.00 0.00 H new ATOM 0 HA ALA A 11 1.663 0.571 -17.322 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.150 -1.009 -15.490 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.592 -0.029 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.039 0.356 -14.354 1.00 0.00 H new ATOM 162 N PRO A 12 -0.841 -0.209 -17.208 1.00 0.00 N ATOM 163 CA PRO A 12 -2.269 -0.379 -17.498 1.00 0.00 C ATOM 164 C PRO A 12 -3.142 -0.128 -16.274 1.00 0.00 C ATOM 165 O PRO A 12 -2.770 -0.474 -15.151 1.00 0.00 O ATOM 166 CB PRO A 12 -2.376 -1.827 -17.988 1.00 0.00 C ATOM 167 CG PRO A 12 -1.023 -2.138 -18.529 1.00 0.00 C ATOM 168 CD PRO A 12 -0.058 -1.413 -17.630 1.00 0.00 C ATOM 0 HA PRO A 12 -2.627 0.340 -18.235 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.644 -2.502 -17.175 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.144 -1.931 -18.755 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.835 -3.212 -18.523 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.926 -1.803 -19.562 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.237 -2.024 -16.777 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.856 -1.137 -18.156 1.00 0.00 H new ATOM 176 N VAL A 13 -4.307 0.473 -16.495 1.00 0.00 N ATOM 177 CA VAL A 13 -5.137 0.958 -15.399 1.00 0.00 C ATOM 178 C VAL A 13 -5.540 -0.182 -14.470 1.00 0.00 C ATOM 179 O VAL A 13 -5.459 -0.058 -13.249 1.00 0.00 O ATOM 180 CB VAL A 13 -6.406 1.659 -15.919 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.351 1.971 -14.768 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.044 2.930 -16.669 1.00 0.00 C ATOM 0 H VAL A 13 -4.697 0.636 -17.423 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.538 1.680 -14.844 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.913 0.985 -16.609 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.242 2.466 -15.153 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.637 1.044 -14.271 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.851 2.626 -14.055 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.953 3.412 -17.029 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.514 3.609 -16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.405 2.683 -17.516 1.00 0.00 H new ATOM 192 N GLY A 14 -5.974 -1.292 -15.059 1.00 0.00 N ATOM 193 CA GLY A 14 -6.418 -2.425 -14.267 1.00 0.00 C ATOM 194 C GLY A 14 -5.296 -3.039 -13.453 1.00 0.00 C ATOM 195 O GLY A 14 -5.488 -3.406 -12.295 1.00 0.00 O ATOM 0 H GLY A 14 -6.026 -1.427 -16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.216 -2.105 -13.597 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.840 -3.183 -14.927 1.00 0.00 H new ATOM 199 N LYS A 15 -4.120 -3.153 -14.062 1.00 0.00 N ATOM 200 CA LYS A 15 -2.972 -3.760 -13.399 1.00 0.00 C ATOM 201 C LYS A 15 -2.539 -2.932 -12.193 1.00 0.00 C ATOM 202 O LYS A 15 -2.163 -3.477 -11.155 1.00 0.00 O ATOM 203 CB LYS A 15 -1.807 -3.916 -14.379 1.00 0.00 C ATOM 204 CG LYS A 15 -2.020 -4.983 -15.444 1.00 0.00 C ATOM 205 CD LYS A 15 -0.774 -5.168 -16.298 1.00 0.00 C ATOM 206 CE LYS A 15 -1.015 -6.169 -17.419 1.00 0.00 C ATOM 207 NZ LYS A 15 0.196 -6.359 -18.263 1.00 0.00 N ATOM 0 H LYS A 15 -3.937 -2.833 -15.013 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.269 -4.748 -13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.631 -2.959 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.905 -4.156 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.281 -5.928 -14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.861 -4.703 -16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.475 -4.209 -16.722 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.050 -5.511 -15.673 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.314 -7.126 -16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.841 -5.825 -18.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.009 -7.048 -19.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.467 -5.451 -18.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.978 -6.712 -17.674 1.00 0.00 H new ATOM 221 N VAL A 16 -2.598 -1.611 -12.336 1.00 0.00 N ATOM 222 CA VAL A 16 -2.196 -0.707 -11.265 1.00 0.00 C ATOM 223 C VAL A 16 -3.223 -0.698 -10.138 1.00 0.00 C ATOM 224 O VAL A 16 -2.870 -0.750 -8.960 1.00 0.00 O ATOM 225 CB VAL A 16 -2.001 0.730 -11.782 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.732 1.681 -10.624 1.00 0.00 C ATOM 227 CG2 VAL A 16 -0.861 0.785 -12.788 1.00 0.00 C ATOM 0 H VAL A 16 -2.920 -1.144 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.245 -1.076 -10.882 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.918 1.043 -12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.597 2.692 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.577 1.664 -9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.830 1.368 -10.099 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.738 1.808 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.061 0.453 -12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.089 0.134 -13.632 1.00 0.00 H new ATOM 237 N TRP A 17 -4.498 -0.630 -10.509 1.00 0.00 N ATOM 238 CA TRP A 17 -5.576 -0.571 -9.528 1.00 0.00 C ATOM 239 C TRP A 17 -5.636 -1.855 -8.708 1.00 0.00 C ATOM 240 O TRP A 17 -5.882 -1.821 -7.502 1.00 0.00 O ATOM 241 CB TRP A 17 -6.918 -0.328 -10.223 1.00 0.00 C ATOM 242 CG TRP A 17 -7.077 1.068 -10.743 1.00 0.00 C ATOM 243 CD1 TRP A 17 -6.094 2.002 -10.888 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.289 1.689 -11.189 1.00 0.00 C ATOM 245 NE1 TRP A 17 -6.618 3.166 -11.394 1.00 0.00 N ATOM 246 CE2 TRP A 17 -7.966 2.997 -11.589 1.00 0.00 C ATOM 247 CE3 TRP A 17 -9.619 1.262 -11.288 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -8.915 3.881 -12.077 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -10.570 2.148 -11.779 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.228 3.420 -12.162 1.00 0.00 C ATOM 0 H TRP A 17 -4.809 -0.614 -11.480 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.373 0.260 -8.852 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -7.022 -1.030 -11.051 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.725 -0.540 -9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.054 1.848 -10.641 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.092 4.017 -11.592 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.900 0.263 -10.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.649 4.883 -12.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.599 1.829 -11.861 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.995 4.081 -12.539 1.00 0.00 H new ATOM 261 N ARG A 18 -5.409 -2.985 -9.369 1.00 0.00 N ATOM 262 CA ARG A 18 -5.410 -4.278 -8.694 1.00 0.00 C ATOM 263 C ARG A 18 -4.268 -4.367 -7.687 1.00 0.00 C ATOM 264 O ARG A 18 -4.352 -5.101 -6.701 1.00 0.00 O ATOM 265 CB ARG A 18 -5.384 -5.439 -9.677 1.00 0.00 C ATOM 266 CG ARG A 18 -6.693 -5.688 -10.409 1.00 0.00 C ATOM 267 CD ARG A 18 -6.639 -6.794 -11.400 1.00 0.00 C ATOM 268 NE ARG A 18 -7.895 -7.051 -12.083 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.059 -7.953 -13.071 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.044 -8.658 -13.519 1.00 0.00 N ATOM 271 NH2 ARG A 18 -9.264 -8.094 -13.595 1.00 0.00 N ATOM 0 H ARG A 18 -5.222 -3.032 -10.371 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.348 -4.358 -8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.602 -5.255 -10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.108 -6.346 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.469 -5.910 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.990 -4.772 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.876 -6.562 -12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.323 -7.705 -10.892 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.711 -6.511 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.115 -8.526 -13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.185 -9.337 -14.267 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.039 -7.528 -13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.419 -8.769 -14.344 1.00 0.00 H new ATOM 285 N ALA A 19 -3.202 -3.617 -7.941 1.00 0.00 N ATOM 286 CA ALA A 19 -1.990 -3.712 -7.136 1.00 0.00 C ATOM 287 C ALA A 19 -2.173 -3.020 -5.787 1.00 0.00 C ATOM 288 O ALA A 19 -1.282 -3.049 -4.939 1.00 0.00 O ATOM 289 CB ALA A 19 -0.810 -3.111 -7.884 1.00 0.00 C ATOM 0 H ALA A 19 -3.152 -2.936 -8.699 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.788 -4.767 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.088 -3.189 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.659 -3.651 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.012 -2.062 -8.099 1.00 0.00 H new ATOM 295 N TYR A 20 -3.331 -2.398 -5.600 1.00 0.00 N ATOM 296 CA TYR A 20 -3.602 -1.638 -4.385 1.00 0.00 C ATOM 297 C TYR A 20 -3.308 -2.474 -3.142 1.00 0.00 C ATOM 298 O TYR A 20 -2.894 -1.947 -2.110 1.00 0.00 O ATOM 299 CB TYR A 20 -5.055 -1.158 -4.365 1.00 0.00 C ATOM 300 CG TYR A 20 -6.038 -2.199 -3.878 1.00 0.00 C ATOM 301 CD1 TYR A 20 -6.525 -3.174 -4.736 1.00 0.00 C ATOM 302 CD2 TYR A 20 -6.478 -2.202 -2.563 1.00 0.00 C ATOM 303 CE1 TYR A 20 -7.423 -4.126 -4.296 1.00 0.00 C ATOM 304 CE2 TYR A 20 -7.377 -3.149 -2.112 1.00 0.00 C ATOM 305 CZ TYR A 20 -7.847 -4.112 -2.982 1.00 0.00 C ATOM 306 OH TYR A 20 -8.742 -5.058 -2.540 1.00 0.00 O ATOM 0 H TYR A 20 -4.097 -2.405 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.945 -0.769 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.128 -0.277 -3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.338 -0.847 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.196 -3.189 -5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.111 -1.451 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.792 -4.879 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.710 -3.136 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.935 -4.907 -1.591 1.00 0.00 H new ATOM 316 N THR A 21 -3.524 -3.780 -3.252 1.00 0.00 N ATOM 317 CA THR A 21 -3.076 -4.717 -2.229 1.00 0.00 C ATOM 318 C THR A 21 -2.756 -6.080 -2.834 1.00 0.00 C ATOM 319 O THR A 21 -3.520 -7.033 -2.683 1.00 0.00 O ATOM 320 CB THR A 21 -4.133 -4.893 -1.123 1.00 0.00 C ATOM 321 OG1 THR A 21 -4.507 -3.609 -0.607 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.584 -5.750 0.009 1.00 0.00 C ATOM 0 H THR A 21 -4.006 -4.214 -4.039 1.00 0.00 H new ATOM 0 HA THR A 21 -2.172 -4.296 -1.790 1.00 0.00 H new ATOM 0 HB THR A 21 -5.005 -5.389 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.220 -3.229 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.345 -5.863 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.310 -6.732 -0.378 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.703 -5.269 0.435 1.00 0.00 H new ATOM 330 N THR A 22 -1.618 -6.164 -3.517 1.00 0.00 N ATOM 331 CA THR A 22 -1.087 -7.448 -3.959 1.00 0.00 C ATOM 332 C THR A 22 0.072 -7.896 -3.076 1.00 0.00 C ATOM 333 O THR A 22 1.047 -7.171 -2.876 1.00 0.00 O ATOM 334 CB THR A 22 -0.613 -7.390 -5.423 1.00 0.00 C ATOM 335 OG1 THR A 22 -1.720 -7.071 -6.275 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.021 -8.726 -5.845 1.00 0.00 C ATOM 0 H THR A 22 -1.047 -5.359 -3.776 1.00 0.00 H new ATOM 0 HA THR A 22 -1.900 -8.169 -3.880 1.00 0.00 H new ATOM 0 HB THR A 22 0.154 -6.620 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.416 -7.033 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.309 -8.667 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.830 -8.965 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.777 -9.506 -5.749 1.00 0.00 H new ATOM 344 N PRO A 23 -0.032 -9.119 -2.536 1.00 0.00 N ATOM 345 CA PRO A 23 0.942 -9.646 -1.577 1.00 0.00 C ATOM 346 C PRO A 23 2.303 -9.901 -2.215 1.00 0.00 C ATOM 347 O PRO A 23 3.339 -9.757 -1.566 1.00 0.00 O ATOM 348 CB PRO A 23 0.311 -10.964 -1.118 1.00 0.00 C ATOM 349 CG PRO A 23 -0.666 -11.308 -2.189 1.00 0.00 C ATOM 350 CD PRO A 23 -1.197 -9.998 -2.701 1.00 0.00 C ATOM 0 HA PRO A 23 1.135 -8.945 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.063 -11.744 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.183 -10.852 -0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.186 -11.874 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.471 -11.929 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.516 -10.064 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.056 -9.652 -2.126 1.00 0.00 H new ATOM 358 N GLU A 24 2.293 -10.281 -3.489 1.00 0.00 N ATOM 359 CA GLU A 24 3.530 -10.490 -4.232 1.00 0.00 C ATOM 360 C GLU A 24 4.259 -9.168 -4.459 1.00 0.00 C ATOM 361 O GLU A 24 5.488 -9.109 -4.417 1.00 0.00 O ATOM 362 CB GLU A 24 3.242 -11.172 -5.572 1.00 0.00 C ATOM 363 CG GLU A 24 2.795 -12.621 -5.456 1.00 0.00 C ATOM 364 CD GLU A 24 2.437 -13.192 -6.800 1.00 0.00 C ATOM 365 OE1 GLU A 24 2.480 -12.465 -7.764 1.00 0.00 O ATOM 366 OE2 GLU A 24 2.232 -14.380 -6.884 1.00 0.00 O ATOM 0 H GLU A 24 1.443 -10.450 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 24 4.174 -11.140 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.470 -10.607 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.140 -11.130 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.591 -13.215 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.935 -12.686 -4.790 1.00 0.00 H new ATOM 373 N ASP A 25 3.492 -8.111 -4.699 1.00 0.00 N ATOM 374 CA ASP A 25 4.064 -6.812 -5.038 1.00 0.00 C ATOM 375 C ASP A 25 4.709 -6.167 -3.816 1.00 0.00 C ATOM 376 O ASP A 25 5.801 -5.602 -3.904 1.00 0.00 O ATOM 377 CB ASP A 25 2.993 -5.887 -5.620 1.00 0.00 C ATOM 378 CG ASP A 25 2.549 -6.249 -7.031 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.196 -7.064 -7.646 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.487 -5.828 -7.425 1.00 0.00 O ATOM 0 H ASP A 25 2.473 -8.127 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 25 4.836 -6.970 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.123 -5.900 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.374 -4.866 -5.623 1.00 0.00 H new ATOM 385 N ILE A 26 4.029 -6.253 -2.679 1.00 0.00 N ATOM 386 CA ILE A 26 4.484 -5.589 -1.464 1.00 0.00 C ATOM 387 C ILE A 26 5.751 -6.243 -0.923 1.00 0.00 C ATOM 388 O ILE A 26 6.392 -5.719 -0.012 1.00 0.00 O ATOM 389 CB ILE A 26 3.400 -5.606 -0.371 1.00 0.00 C ATOM 390 CG1 ILE A 26 3.061 -7.046 0.023 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.156 -4.872 -0.845 1.00 0.00 C ATOM 392 CD1 ILE A 26 2.158 -7.152 1.231 1.00 0.00 C ATOM 0 H ILE A 26 3.160 -6.776 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 26 4.698 -4.554 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 26 3.786 -5.092 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.582 -7.541 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.987 -7.585 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.400 -4.894 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.410 -3.837 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.765 -5.358 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.963 -8.202 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.643 -6.688 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.216 -6.643 1.027 1.00 0.00 H new ATOM 404 N LYS A 27 6.107 -7.390 -1.490 1.00 0.00 N ATOM 405 CA LYS A 27 7.374 -8.040 -1.174 1.00 0.00 C ATOM 406 C LYS A 27 8.547 -7.107 -1.454 1.00 0.00 C ATOM 407 O LYS A 27 9.629 -7.272 -0.893 1.00 0.00 O ATOM 408 CB LYS A 27 7.526 -9.336 -1.973 1.00 0.00 C ATOM 409 CG LYS A 27 6.582 -10.452 -1.548 1.00 0.00 C ATOM 410 CD LYS A 27 6.769 -11.693 -2.407 1.00 0.00 C ATOM 411 CE LYS A 27 5.850 -12.820 -1.960 1.00 0.00 C ATOM 412 NZ LYS A 27 6.011 -14.036 -2.802 1.00 0.00 N ATOM 0 H LYS A 27 5.536 -7.890 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 27 7.374 -8.283 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.361 -9.119 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.553 -9.689 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.759 -10.702 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.551 -10.107 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.568 -11.449 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.806 -12.023 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.060 -13.069 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.814 -12.483 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.367 -14.780 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.786 -13.806 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.993 -14.374 -2.740 1.00 0.00 H new ATOM 426 N GLN A 28 8.324 -6.127 -2.323 1.00 0.00 N ATOM 427 CA GLN A 28 9.328 -5.105 -2.597 1.00 0.00 C ATOM 428 C GLN A 28 9.441 -4.126 -1.434 1.00 0.00 C ATOM 429 O GLN A 28 10.418 -3.385 -1.327 1.00 0.00 O ATOM 430 CB GLN A 28 8.986 -4.347 -3.883 1.00 0.00 C ATOM 431 CG GLN A 28 8.984 -5.210 -5.133 1.00 0.00 C ATOM 432 CD GLN A 28 10.338 -5.838 -5.405 1.00 0.00 C ATOM 433 OE1 GLN A 28 11.370 -5.163 -5.361 1.00 0.00 O ATOM 434 NE2 GLN A 28 10.341 -7.135 -5.694 1.00 0.00 N ATOM 0 H GLN A 28 7.457 -6.019 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 28 10.288 -5.605 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.004 -3.888 -3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.703 -3.537 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.237 -5.996 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.689 -4.603 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.463 -7.654 -5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.221 -7.612 -5.891 1.00 0.00 H new ATOM 443 N TRP A 29 8.436 -4.129 -0.566 1.00 0.00 N ATOM 444 CA TRP A 29 8.404 -3.214 0.569 1.00 0.00 C ATOM 445 C TRP A 29 9.072 -3.838 1.790 1.00 0.00 C ATOM 446 O TRP A 29 8.748 -3.498 2.927 1.00 0.00 O ATOM 447 CB TRP A 29 6.963 -2.821 0.899 1.00 0.00 C ATOM 448 CG TRP A 29 6.256 -2.135 -0.229 1.00 0.00 C ATOM 449 CD1 TRP A 29 6.779 -1.819 -1.447 1.00 0.00 C ATOM 450 CD2 TRP A 29 4.897 -1.682 -0.246 1.00 0.00 C ATOM 451 NE1 TRP A 29 5.832 -1.196 -2.222 1.00 0.00 N ATOM 452 CE2 TRP A 29 4.665 -1.101 -1.506 1.00 0.00 C ATOM 453 CE3 TRP A 29 3.851 -1.712 0.685 1.00 0.00 C ATOM 454 CZ2 TRP A 29 3.441 -0.556 -1.860 1.00 0.00 C ATOM 455 CZ3 TRP A 29 2.624 -1.167 0.329 1.00 0.00 C ATOM 456 CH2 TRP A 29 2.425 -0.606 -0.907 1.00 0.00 C ATOM 0 H TRP A 29 7.633 -4.755 -0.626 1.00 0.00 H new ATOM 0 HA TRP A 29 8.959 -2.317 0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.405 -3.716 1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.964 -2.164 1.769 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.792 -2.028 -1.758 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.973 -0.859 -3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.996 -2.151 1.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.281 -0.112 -2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.811 -1.185 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.457 -0.193 -1.148 1.00 0.00 H new ATOM 467 N ASN A 30 10.005 -4.753 1.546 1.00 0.00 N ATOM 468 CA ASN A 30 10.655 -5.487 2.625 1.00 0.00 C ATOM 469 C ASN A 30 11.279 -4.530 3.637 1.00 0.00 C ATOM 470 O ASN A 30 11.592 -3.386 3.312 1.00 0.00 O ATOM 471 CB ASN A 30 11.701 -6.448 2.091 1.00 0.00 C ATOM 472 CG ASN A 30 12.891 -5.766 1.475 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.680 -5.108 2.163 1.00 0.00 O ATOM 474 ND2 ASN A 30 12.978 -5.850 0.172 1.00 0.00 N ATOM 0 H ASN A 30 10.327 -5.003 0.611 1.00 0.00 H new ATOM 0 HA ASN A 30 9.887 -6.073 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.042 -7.089 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.239 -7.096 1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.723 -5.359 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.301 -6.407 -0.349 1.00 0.00 H new ATOM 481 N ALA A 31 11.458 -5.009 4.863 1.00 0.00 N ATOM 482 CA ALA A 31 11.891 -4.154 5.962 1.00 0.00 C ATOM 483 C ALA A 31 13.413 -4.118 6.062 1.00 0.00 C ATOM 484 O ALA A 31 14.004 -3.065 6.301 1.00 0.00 O ATOM 485 CB ALA A 31 11.284 -4.631 7.273 1.00 0.00 C ATOM 0 H ALA A 31 11.310 -5.985 5.121 1.00 0.00 H new ATOM 0 HA ALA A 31 11.542 -3.141 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.616 -3.983 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.197 -4.598 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.604 -5.654 7.471 1.00 0.00 H new ATOM 491 N ALA A 32 14.040 -5.274 5.880 1.00 0.00 N ATOM 492 CA ALA A 32 15.490 -5.382 5.987 1.00 0.00 C ATOM 493 C ALA A 32 16.143 -5.384 4.610 1.00 0.00 C ATOM 494 O ALA A 32 16.637 -4.356 4.144 1.00 0.00 O ATOM 495 CB ALA A 32 15.871 -6.638 6.756 1.00 0.00 C ATOM 0 H ALA A 32 13.567 -6.150 5.658 1.00 0.00 H new ATOM 0 HA ALA A 32 15.855 -4.511 6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.957 -6.705 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.443 -6.595 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.487 -7.515 6.234 1.00 0.00 H new ATOM 501 N SER A 33 16.145 -6.544 3.961 1.00 0.00 N ATOM 502 CA SER A 33 16.752 -6.682 2.643 1.00 0.00 C ATOM 503 C SER A 33 16.038 -7.755 1.826 1.00 0.00 C ATOM 504 O SER A 33 15.428 -8.669 2.381 1.00 0.00 O ATOM 505 CB SER A 33 18.227 -7.010 2.777 1.00 0.00 C ATOM 506 OG SER A 33 18.831 -7.239 1.533 1.00 0.00 O ATOM 0 H SER A 33 15.733 -7.402 4.327 1.00 0.00 H new ATOM 0 HA SER A 33 16.651 -5.733 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.736 -6.189 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.346 -7.893 3.405 1.00 0.00 H new ATOM 0 HG SER A 33 19.780 -7.445 1.663 1.00 0.00 H new ATOM 512 N ASP A 34 16.122 -7.637 0.506 1.00 0.00 N ATOM 513 CA ASP A 34 15.443 -8.567 -0.389 1.00 0.00 C ATOM 514 C ASP A 34 16.148 -9.920 -0.403 1.00 0.00 C ATOM 515 O ASP A 34 15.730 -10.842 -1.103 1.00 0.00 O ATOM 516 CB ASP A 34 15.371 -7.994 -1.807 1.00 0.00 C ATOM 517 CG ASP A 34 16.726 -7.781 -2.469 1.00 0.00 C ATOM 518 OD1 ASP A 34 17.722 -8.066 -1.845 1.00 0.00 O ATOM 519 OD2 ASP A 34 16.753 -7.486 -3.640 1.00 0.00 O ATOM 0 H ASP A 34 16.653 -6.907 0.032 1.00 0.00 H new ATOM 0 HA ASP A 34 14.428 -8.711 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.779 -8.666 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.842 -7.041 -1.774 1.00 0.00 H new ATOM 524 N ASP A 35 17.218 -10.031 0.376 1.00 0.00 N ATOM 525 CA ASP A 35 17.937 -11.293 0.511 1.00 0.00 C ATOM 526 C ASP A 35 17.775 -11.861 1.918 1.00 0.00 C ATOM 527 O ASP A 35 17.718 -13.078 2.103 1.00 0.00 O ATOM 528 CB ASP A 35 19.421 -11.104 0.186 1.00 0.00 C ATOM 529 CG ASP A 35 19.701 -10.662 -1.243 1.00 0.00 C ATOM 530 OD1 ASP A 35 19.260 -11.330 -2.148 1.00 0.00 O ATOM 531 OD2 ASP A 35 20.214 -9.583 -1.420 1.00 0.00 O ATOM 0 H ASP A 35 17.607 -9.263 0.923 1.00 0.00 H new ATOM 0 HA ASP A 35 17.511 -12.002 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.839 -10.366 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.943 -12.042 0.372 1.00 0.00 H new ATOM 536 N TRP A 36 17.702 -10.976 2.903 1.00 0.00 N ATOM 537 CA TRP A 36 17.751 -11.384 4.303 1.00 0.00 C ATOM 538 C TRP A 36 16.375 -11.277 4.951 1.00 0.00 C ATOM 539 O TRP A 36 16.195 -11.634 6.115 1.00 0.00 O ATOM 540 CB TRP A 36 18.763 -10.534 5.075 1.00 0.00 C ATOM 541 CG TRP A 36 20.169 -10.678 4.576 1.00 0.00 C ATOM 542 CD1 TRP A 36 20.838 -9.814 3.763 1.00 0.00 C ATOM 543 CD2 TRP A 36 21.077 -11.750 4.858 1.00 0.00 C ATOM 544 NE1 TRP A 36 22.107 -10.279 3.519 1.00 0.00 N ATOM 545 CE2 TRP A 36 22.278 -11.468 4.184 1.00 0.00 C ATOM 546 CE3 TRP A 36 20.990 -12.923 5.619 1.00 0.00 C ATOM 547 CZ2 TRP A 36 23.378 -12.308 4.241 1.00 0.00 C ATOM 548 CZ3 TRP A 36 22.093 -13.765 5.677 1.00 0.00 C ATOM 549 CH2 TRP A 36 23.254 -13.466 5.009 1.00 0.00 C ATOM 0 H TRP A 36 17.609 -9.970 2.760 1.00 0.00 H new ATOM 0 HA TRP A 36 18.068 -12.426 4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.469 -9.486 5.012 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.730 -10.811 6.129 1.00 0.00 H new ATOM 0 HD1 TRP A 36 20.430 -8.896 3.367 1.00 0.00 H new ATOM 0 HE1 TRP A 36 22.807 -9.817 2.939 1.00 0.00 H new ATOM 0 HE3 TRP A 36 20.082 -13.168 6.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 24.292 -12.077 3.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 22.036 -14.673 6.259 1.00 0.00 H new ATOM 0 HH2 TRP A 36 24.092 -14.144 5.080 1.00 0.00 H new ATOM 560 N HIS A 37 15.404 -10.784 4.187 1.00 0.00 N ATOM 561 CA HIS A 37 14.054 -10.583 4.701 1.00 0.00 C ATOM 562 C HIS A 37 13.063 -11.509 4.002 1.00 0.00 C ATOM 563 O HIS A 37 13.122 -11.693 2.786 1.00 0.00 O ATOM 564 CB HIS A 37 13.621 -9.123 4.533 1.00 0.00 C ATOM 565 CG HIS A 37 12.378 -8.772 5.289 1.00 0.00 C ATOM 566 ND1 HIS A 37 11.119 -8.858 4.733 1.00 0.00 N ATOM 567 CD2 HIS A 37 12.199 -8.336 6.558 1.00 0.00 C ATOM 568 CE1 HIS A 37 10.220 -8.489 5.628 1.00 0.00 C ATOM 569 NE2 HIS A 37 10.849 -8.167 6.743 1.00 0.00 N ATOM 0 H HIS A 37 15.528 -10.517 3.210 1.00 0.00 H new ATOM 0 HA HIS A 37 14.061 -10.824 5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.432 -8.473 4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.461 -8.921 3.474 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.914 -9.159 3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.974 -8.155 7.289 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.152 -8.456 5.474 1.00 0.00 H new ATOM 576 N THR A 38 12.153 -12.087 4.778 1.00 0.00 N ATOM 577 CA THR A 38 11.055 -12.865 4.219 1.00 0.00 C ATOM 578 C THR A 38 9.729 -12.127 4.364 1.00 0.00 C ATOM 579 O THR A 38 9.335 -11.747 5.466 1.00 0.00 O ATOM 580 CB THR A 38 10.939 -14.247 4.891 1.00 0.00 C ATOM 581 OG1 THR A 38 12.145 -14.989 4.671 1.00 0.00 O ATOM 582 CG2 THR A 38 9.760 -15.020 4.321 1.00 0.00 C ATOM 0 H THR A 38 12.154 -12.031 5.796 1.00 0.00 H new ATOM 0 HA THR A 38 11.277 -13.005 3.161 1.00 0.00 H new ATOM 0 HB THR A 38 10.782 -14.104 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.072 -15.867 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.694 -15.993 4.807 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.840 -14.463 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.900 -15.159 3.249 1.00 0.00 H new ATOM 590 N THR A 39 9.041 -11.930 3.243 1.00 0.00 N ATOM 591 CA THR A 39 7.760 -11.235 3.244 1.00 0.00 C ATOM 592 C THR A 39 6.640 -12.145 2.753 1.00 0.00 C ATOM 593 O THR A 39 6.714 -12.698 1.656 1.00 0.00 O ATOM 594 CB THR A 39 7.802 -9.969 2.367 1.00 0.00 C ATOM 595 OG1 THR A 39 8.816 -9.081 2.855 1.00 0.00 O ATOM 596 CG2 THR A 39 6.457 -9.259 2.389 1.00 0.00 C ATOM 0 H THR A 39 9.350 -12.242 2.323 1.00 0.00 H new ATOM 0 HA THR A 39 7.562 -10.943 4.275 1.00 0.00 H new ATOM 0 HB THR A 39 8.028 -10.262 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.843 -8.277 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.506 -8.367 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.686 -9.928 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.214 -8.972 3.412 1.00 0.00 H new ATOM 604 N ALA A 40 5.604 -12.294 3.571 1.00 0.00 N ATOM 605 CA ALA A 40 4.430 -13.066 3.183 1.00 0.00 C ATOM 606 C ALA A 40 3.145 -12.329 3.541 1.00 0.00 C ATOM 607 O ALA A 40 3.070 -11.653 4.567 1.00 0.00 O ATOM 608 CB ALA A 40 4.456 -14.437 3.846 1.00 0.00 C ATOM 0 H ALA A 40 5.554 -11.890 4.506 1.00 0.00 H new ATOM 0 HA ALA A 40 4.454 -13.197 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.573 -15.002 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.353 -14.974 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.461 -14.317 4.929 1.00 0.00 H new ATOM 614 N ALA A 41 2.134 -12.461 2.688 1.00 0.00 N ATOM 615 CA ALA A 41 0.863 -11.779 2.896 1.00 0.00 C ATOM 616 C ALA A 41 -0.302 -12.626 2.398 1.00 0.00 C ATOM 617 O ALA A 41 -0.183 -13.345 1.404 1.00 0.00 O ATOM 618 CB ALA A 41 0.869 -10.427 2.201 1.00 0.00 C ATOM 0 H ALA A 41 2.171 -13.035 1.846 1.00 0.00 H new ATOM 0 HA ALA A 41 0.734 -11.624 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.087 -9.929 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.673 -9.813 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.026 -10.568 1.132 1.00 0.00 H new ATOM 624 N THR A 42 -1.432 -12.540 3.094 1.00 0.00 N ATOM 625 CA THR A 42 -2.680 -13.108 2.601 1.00 0.00 C ATOM 626 C THR A 42 -3.774 -12.049 2.530 1.00 0.00 C ATOM 627 O THR A 42 -3.990 -11.300 3.482 1.00 0.00 O ATOM 628 CB THR A 42 -3.162 -14.271 3.487 1.00 0.00 C ATOM 629 OG1 THR A 42 -2.169 -15.306 3.503 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.470 -14.838 2.958 1.00 0.00 C ATOM 0 H THR A 42 -1.508 -12.082 4.002 1.00 0.00 H new ATOM 0 HA THR A 42 -2.479 -13.488 1.599 1.00 0.00 H new ATOM 0 HB THR A 42 -3.323 -13.896 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.476 -16.045 4.069 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.795 -15.659 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.230 -14.057 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.323 -15.205 1.942 1.00 0.00 H new ATOM 638 N VAL A 43 -4.466 -11.993 1.396 1.00 0.00 N ATOM 639 CA VAL A 43 -5.400 -10.908 1.123 1.00 0.00 C ATOM 640 C VAL A 43 -6.734 -11.446 0.619 1.00 0.00 C ATOM 641 O VAL A 43 -6.777 -12.296 -0.270 1.00 0.00 O ATOM 642 CB VAL A 43 -4.831 -9.919 0.088 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.600 -10.615 -1.244 1.00 0.00 C ATOM 644 CG2 VAL A 43 -5.768 -8.733 -0.087 1.00 0.00 C ATOM 0 H VAL A 43 -4.397 -12.687 0.652 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.556 -10.382 2.065 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.873 -9.551 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.198 -9.901 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.892 -11.432 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.545 -11.011 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.350 -8.045 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.740 -9.085 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.886 -8.218 0.867 1.00 0.00 H new ATOM 654 N ASP A 44 -7.824 -10.944 1.193 1.00 0.00 N ATOM 655 CA ASP A 44 -9.145 -11.109 0.600 1.00 0.00 C ATOM 656 C ASP A 44 -9.585 -9.835 -0.112 1.00 0.00 C ATOM 657 O ASP A 44 -9.931 -8.841 0.527 1.00 0.00 O ATOM 658 CB ASP A 44 -10.169 -11.497 1.670 1.00 0.00 C ATOM 659 CG ASP A 44 -11.561 -11.794 1.129 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.758 -11.662 -0.056 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.370 -12.299 1.872 1.00 0.00 O ATOM 0 H ASP A 44 -7.817 -10.420 2.068 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.086 -11.911 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.805 -12.375 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.240 -10.689 2.398 1.00 0.00 H new ATOM 666 N LEU A 45 -9.567 -9.870 -1.441 1.00 0.00 N ATOM 667 CA LEU A 45 -9.772 -8.667 -2.240 1.00 0.00 C ATOM 668 C LEU A 45 -11.256 -8.330 -2.346 1.00 0.00 C ATOM 669 O LEU A 45 -11.912 -8.671 -3.330 1.00 0.00 O ATOM 670 CB LEU A 45 -9.162 -8.846 -3.636 1.00 0.00 C ATOM 671 CG LEU A 45 -7.636 -9.000 -3.668 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.171 -9.303 -5.085 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.986 -7.727 -3.148 1.00 0.00 C ATOM 0 H LEU A 45 -9.413 -10.718 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.271 -7.837 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.609 -9.725 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.437 -7.987 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.341 -9.831 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.086 -9.410 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.631 -10.229 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.462 -8.486 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.902 -7.837 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.279 -6.886 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.311 -7.545 -2.124 1.00 0.00 H new ATOM 685 N ARG A 46 -11.778 -7.656 -1.326 1.00 0.00 N ATOM 686 CA ARG A 46 -13.175 -7.240 -1.319 1.00 0.00 C ATOM 687 C ARG A 46 -13.425 -6.188 -0.243 1.00 0.00 C ATOM 688 O ARG A 46 -12.648 -6.058 0.702 1.00 0.00 O ATOM 689 CB ARG A 46 -14.126 -8.420 -1.181 1.00 0.00 C ATOM 690 CG ARG A 46 -14.064 -9.138 0.158 1.00 0.00 C ATOM 691 CD ARG A 46 -14.994 -10.290 0.280 1.00 0.00 C ATOM 692 NE ARG A 46 -14.835 -11.068 1.498 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.436 -10.785 2.670 1.00 0.00 C ATOM 694 NH1 ARG A 46 -16.206 -9.727 2.800 1.00 0.00 N ATOM 695 NH2 ARG A 46 -15.212 -11.588 3.696 1.00 0.00 N ATOM 0 H ARG A 46 -11.254 -7.386 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.383 -6.786 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.145 -8.068 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.909 -9.138 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.045 -9.490 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.285 -8.423 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.018 -9.920 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.852 -10.948 -0.577 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.226 -11.885 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.356 -9.105 2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.653 -9.528 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.598 -12.396 3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.653 -11.400 4.596 1.00 0.00 H new ATOM 709 N GLU A 47 -14.514 -5.441 -0.394 1.00 0.00 N ATOM 710 CA GLU A 47 -15.002 -4.580 0.676 1.00 0.00 C ATOM 711 C GLU A 47 -15.414 -5.403 1.894 1.00 0.00 C ATOM 712 O GLU A 47 -16.239 -6.309 1.792 1.00 0.00 O ATOM 713 CB GLU A 47 -16.180 -3.733 0.189 1.00 0.00 C ATOM 714 CG GLU A 47 -16.671 -2.700 1.193 1.00 0.00 C ATOM 715 CD GLU A 47 -17.778 -1.862 0.619 1.00 0.00 C ATOM 716 OE1 GLU A 47 -18.105 -2.048 -0.530 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.374 -1.113 1.356 1.00 0.00 O ATOM 0 H GLU A 47 -15.074 -5.415 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.189 -3.915 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.888 -3.220 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.007 -4.396 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.023 -3.204 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.843 -2.057 1.491 1.00 0.00 H new ATOM 724 N GLY A 48 -14.830 -5.081 3.043 1.00 0.00 N ATOM 725 CA GLY A 48 -15.082 -5.854 4.245 1.00 0.00 C ATOM 726 C GLY A 48 -14.115 -7.011 4.402 1.00 0.00 C ATOM 727 O GLY A 48 -14.113 -7.692 5.428 1.00 0.00 O ATOM 0 H GLY A 48 -14.187 -4.299 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.008 -5.202 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.102 -6.237 4.220 1.00 0.00 H new ATOM 731 N GLY A 49 -13.291 -7.236 3.383 1.00 0.00 N ATOM 732 CA GLY A 49 -12.382 -8.367 3.400 1.00 0.00 C ATOM 733 C GLY A 49 -11.224 -8.165 4.357 1.00 0.00 C ATOM 734 O GLY A 49 -10.894 -7.034 4.712 1.00 0.00 O ATOM 0 H GLY A 49 -13.237 -6.655 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.930 -9.266 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.994 -8.533 2.395 1.00 0.00 H new ATOM 738 N ALA A 50 -10.605 -9.264 4.776 1.00 0.00 N ATOM 739 CA ALA A 50 -9.493 -9.204 5.715 1.00 0.00 C ATOM 740 C ALA A 50 -8.155 -9.277 4.986 1.00 0.00 C ATOM 741 O ALA A 50 -8.036 -9.934 3.952 1.00 0.00 O ATOM 742 CB ALA A 50 -9.603 -10.327 6.735 1.00 0.00 C ATOM 0 H ALA A 50 -10.856 -10.207 4.479 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.541 -8.248 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.766 -10.270 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.539 -10.229 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.583 -11.288 6.221 1.00 0.00 H new ATOM 748 N PHE A 51 -7.152 -8.599 5.532 1.00 0.00 N ATOM 749 CA PHE A 51 -5.790 -8.705 5.022 1.00 0.00 C ATOM 750 C PHE A 51 -4.797 -8.909 6.163 1.00 0.00 C ATOM 751 O PHE A 51 -4.953 -8.344 7.245 1.00 0.00 O ATOM 752 CB PHE A 51 -5.422 -7.458 4.216 1.00 0.00 C ATOM 753 CG PHE A 51 -3.978 -7.410 3.801 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.492 -8.266 2.825 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.102 -6.509 4.388 1.00 0.00 C ATOM 756 CE1 PHE A 51 -2.166 -8.223 2.443 1.00 0.00 C ATOM 757 CE2 PHE A 51 -1.776 -6.462 4.008 1.00 0.00 C ATOM 758 CZ PHE A 51 -1.307 -7.321 3.034 1.00 0.00 C ATOM 0 H PHE A 51 -7.256 -7.970 6.328 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.741 -9.573 4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.048 -7.414 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.650 -6.573 4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.159 -8.975 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.462 -5.836 5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.802 -8.896 1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.106 -5.754 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.270 -7.286 2.736 1.00 0.00 H new ATOM 768 N SER A 52 -3.775 -9.720 5.912 1.00 0.00 N ATOM 769 CA SER A 52 -2.750 -9.992 6.914 1.00 0.00 C ATOM 770 C SER A 52 -1.363 -10.024 6.278 1.00 0.00 C ATOM 771 O SER A 52 -1.145 -10.700 5.273 1.00 0.00 O ATOM 772 CB SER A 52 -3.041 -11.302 7.619 1.00 0.00 C ATOM 773 OG SER A 52 -2.068 -11.611 8.578 1.00 0.00 O ATOM 0 H SER A 52 -3.634 -10.201 5.023 1.00 0.00 H new ATOM 0 HA SER A 52 -2.766 -9.187 7.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.018 -11.246 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.093 -12.105 6.884 1.00 0.00 H new ATOM 0 HG SER A 52 -2.293 -12.461 9.010 1.00 0.00 H new ATOM 779 N SER A 53 -0.430 -9.286 6.872 1.00 0.00 N ATOM 780 CA SER A 53 0.938 -9.237 6.370 1.00 0.00 C ATOM 781 C SER A 53 1.929 -9.661 7.450 1.00 0.00 C ATOM 782 O SER A 53 1.985 -9.064 8.526 1.00 0.00 O ATOM 783 CB SER A 53 1.262 -7.843 5.870 1.00 0.00 C ATOM 784 OG SER A 53 2.589 -7.736 5.433 1.00 0.00 O ATOM 0 H SER A 53 -0.597 -8.715 7.700 1.00 0.00 H new ATOM 0 HA SER A 53 1.024 -9.937 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.589 -7.586 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.084 -7.122 6.667 1.00 0.00 H new ATOM 0 HG SER A 53 2.757 -6.824 5.117 1.00 0.00 H new ATOM 790 N ARG A 54 2.707 -10.697 7.156 1.00 0.00 N ATOM 791 CA ARG A 54 3.691 -11.206 8.104 1.00 0.00 C ATOM 792 C ARG A 54 5.109 -10.991 7.584 1.00 0.00 C ATOM 793 O ARG A 54 5.467 -11.473 6.509 1.00 0.00 O ATOM 794 CB ARG A 54 3.442 -12.663 8.466 1.00 0.00 C ATOM 795 CG ARG A 54 4.370 -13.226 9.531 1.00 0.00 C ATOM 796 CD ARG A 54 4.143 -14.659 9.845 1.00 0.00 C ATOM 797 NE ARG A 54 5.158 -15.257 10.699 1.00 0.00 N ATOM 798 CZ ARG A 54 5.138 -15.228 12.045 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.182 -14.603 12.696 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.120 -15.826 12.697 1.00 0.00 N ATOM 0 H ARG A 54 2.675 -11.200 6.269 1.00 0.00 H new ATOM 0 HA ARG A 54 3.580 -10.634 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.413 -12.766 8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.538 -13.268 7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.401 -13.097 9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.251 -12.643 10.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.172 -14.763 10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.095 -15.220 8.911 1.00 0.00 H new ATOM 0 HE ARG A 54 5.939 -15.731 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.439 -14.130 12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.183 -14.591 13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.865 -16.292 12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.132 -15.821 13.717 1.00 0.00 H new ATOM 814 N MET A 55 5.912 -10.265 8.355 1.00 0.00 N ATOM 815 CA MET A 55 7.307 -10.031 7.997 1.00 0.00 C ATOM 816 C MET A 55 8.245 -10.770 8.948 1.00 0.00 C ATOM 817 O MET A 55 8.058 -10.739 10.163 1.00 0.00 O ATOM 818 CB MET A 55 7.611 -8.534 8.007 1.00 0.00 C ATOM 819 CG MET A 55 6.859 -7.731 6.955 1.00 0.00 C ATOM 820 SD MET A 55 7.457 -6.035 6.816 1.00 0.00 S ATOM 821 CE MET A 55 6.877 -5.344 8.362 1.00 0.00 C ATOM 0 H MET A 55 5.622 -9.829 9.230 1.00 0.00 H new ATOM 0 HA MET A 55 7.471 -10.417 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.371 -8.134 8.992 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.681 -8.392 7.858 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.955 -8.226 5.989 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.798 -7.719 7.203 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.928 -4.256 8.316 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.846 -5.652 8.534 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.504 -5.702 9.179 1.00 0.00 H new ATOM 831 N GLU A 56 9.249 -11.432 8.385 1.00 0.00 N ATOM 832 CA GLU A 56 10.239 -12.141 9.186 1.00 0.00 C ATOM 833 C GLU A 56 11.656 -11.798 8.730 1.00 0.00 C ATOM 834 O GLU A 56 11.895 -11.549 7.549 1.00 0.00 O ATOM 835 CB GLU A 56 10.011 -13.653 9.108 1.00 0.00 C ATOM 836 CG GLU A 56 8.757 -14.137 9.822 1.00 0.00 C ATOM 837 CD GLU A 56 8.644 -15.634 9.774 1.00 0.00 C ATOM 838 OE1 GLU A 56 9.440 -16.251 9.107 1.00 0.00 O ATOM 839 OE2 GLU A 56 7.834 -16.173 10.491 1.00 0.00 O ATOM 0 H GLU A 56 9.399 -11.492 7.378 1.00 0.00 H new ATOM 0 HA GLU A 56 10.124 -11.822 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.954 -13.946 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.876 -14.161 9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.776 -13.805 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.877 -13.689 9.360 1.00 0.00 H new ATOM 846 N ALA A 57 12.590 -11.788 9.675 1.00 0.00 N ATOM 847 CA ALA A 57 14.010 -11.791 9.346 1.00 0.00 C ATOM 848 C ALA A 57 14.544 -13.214 9.234 1.00 0.00 C ATOM 849 O ALA A 57 14.281 -14.057 10.094 1.00 0.00 O ATOM 850 CB ALA A 57 14.794 -11.010 10.389 1.00 0.00 C ATOM 0 H ALA A 57 12.389 -11.778 10.675 1.00 0.00 H new ATOM 0 HA ALA A 57 14.135 -11.308 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.853 -11.020 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.437 -9.980 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.654 -11.469 11.368 1.00 0.00 H new ATOM 856 N LYS A 58 15.295 -13.479 8.171 1.00 0.00 N ATOM 857 CA LYS A 58 15.836 -14.810 7.927 1.00 0.00 C ATOM 858 C LYS A 58 16.835 -15.198 9.014 1.00 0.00 C ATOM 859 O LYS A 58 17.082 -16.381 9.248 1.00 0.00 O ATOM 860 CB LYS A 58 16.500 -14.876 6.550 1.00 0.00 C ATOM 861 CG LYS A 58 15.525 -14.874 5.381 1.00 0.00 C ATOM 862 CD LYS A 58 16.248 -15.071 4.057 1.00 0.00 C ATOM 863 CE LYS A 58 15.273 -15.076 2.888 1.00 0.00 C ATOM 864 NZ LYS A 58 15.969 -15.244 1.584 1.00 0.00 N ATOM 0 H LYS A 58 15.543 -12.788 7.463 1.00 0.00 H new ATOM 0 HA LYS A 58 15.009 -15.520 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.176 -14.027 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.110 -15.778 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.789 -15.666 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.978 -13.931 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.980 -14.276 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.799 -16.011 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.552 -15.882 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.710 -14.143 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.287 -15.124 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.721 -14.531 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.386 -16.195 1.533 1.00 0.00 H new ATOM 878 N ASP A 59 17.404 -14.195 9.673 1.00 0.00 N ATOM 879 CA ASP A 59 18.329 -14.433 10.775 1.00 0.00 C ATOM 880 C ASP A 59 17.574 -14.610 12.088 1.00 0.00 C ATOM 881 O ASP A 59 18.175 -14.837 13.136 1.00 0.00 O ATOM 882 CB ASP A 59 19.331 -13.283 10.893 1.00 0.00 C ATOM 883 CG ASP A 59 18.713 -11.946 11.280 1.00 0.00 C ATOM 884 OD1 ASP A 59 17.524 -11.903 11.492 1.00 0.00 O ATOM 885 OD2 ASP A 59 19.450 -11.018 11.512 1.00 0.00 O ATOM 0 H ASP A 59 17.241 -13.210 9.464 1.00 0.00 H new ATOM 0 HA ASP A 59 18.875 -15.353 10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.085 -13.549 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.847 -13.168 9.940 1.00 0.00 H new ATOM 890 N GLY A 60 16.250 -14.506 12.024 1.00 0.00 N ATOM 891 CA GLY A 60 15.421 -14.844 13.167 1.00 0.00 C ATOM 892 C GLY A 60 15.537 -13.825 14.285 1.00 0.00 C ATOM 893 O GLY A 60 15.164 -14.103 15.425 1.00 0.00 O ATOM 0 H GLY A 60 15.736 -14.193 11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.381 -14.915 12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.707 -15.826 13.543 1.00 0.00 H new ATOM 897 N SER A 61 16.054 -12.646 13.958 1.00 0.00 N ATOM 898 CA SER A 61 16.334 -11.629 14.965 1.00 0.00 C ATOM 899 C SER A 61 15.067 -10.862 15.331 1.00 0.00 C ATOM 900 O SER A 61 14.954 -10.314 16.427 1.00 0.00 O ATOM 901 CB SER A 61 17.405 -10.679 14.466 1.00 0.00 C ATOM 902 OG SER A 61 16.970 -9.926 13.367 1.00 0.00 O ATOM 0 H SER A 61 16.288 -12.371 13.004 1.00 0.00 H new ATOM 0 HA SER A 61 16.698 -12.127 15.864 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.697 -10.007 15.273 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.292 -11.247 14.187 1.00 0.00 H new ATOM 0 HG SER A 61 17.049 -10.463 12.551 1.00 0.00 H new ATOM 908 N MET A 62 14.116 -10.828 14.403 1.00 0.00 N ATOM 909 CA MET A 62 12.905 -10.034 14.580 1.00 0.00 C ATOM 910 C MET A 62 11.818 -10.474 13.604 1.00 0.00 C ATOM 911 O MET A 62 12.103 -11.107 12.588 1.00 0.00 O ATOM 912 CB MET A 62 13.215 -8.549 14.395 1.00 0.00 C ATOM 913 CG MET A 62 13.781 -8.190 13.029 1.00 0.00 C ATOM 914 SD MET A 62 12.511 -8.100 11.752 1.00 0.00 S ATOM 915 CE MET A 62 13.383 -7.203 10.470 1.00 0.00 C ATOM 0 H MET A 62 14.160 -11.340 13.522 1.00 0.00 H new ATOM 0 HA MET A 62 12.537 -10.194 15.593 1.00 0.00 H new ATOM 0 HB2 MET A 62 12.302 -7.977 14.558 1.00 0.00 H new ATOM 0 HB3 MET A 62 13.926 -8.240 15.162 1.00 0.00 H new ATOM 0 HG2 MET A 62 14.294 -7.231 13.094 1.00 0.00 H new ATOM 0 HG3 MET A 62 14.527 -8.932 12.743 1.00 0.00 H new ATOM 0 HE1 MET A 62 12.815 -7.251 9.541 1.00 0.00 H new ATOM 0 HE2 MET A 62 13.500 -6.162 10.770 1.00 0.00 H new ATOM 0 HE3 MET A 62 14.366 -7.650 10.318 1.00 0.00 H new ATOM 925 N GLY A 63 10.572 -10.135 13.919 1.00 0.00 N ATOM 926 CA GLY A 63 9.504 -10.243 12.943 1.00 0.00 C ATOM 927 C GLY A 63 8.281 -9.437 13.331 1.00 0.00 C ATOM 928 O GLY A 63 8.100 -9.090 14.499 1.00 0.00 O ATOM 0 H GLY A 63 10.283 -9.787 14.833 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.867 -9.903 11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.224 -11.290 12.830 1.00 0.00 H new ATOM 932 N PHE A 64 7.437 -9.134 12.349 1.00 0.00 N ATOM 933 CA PHE A 64 6.271 -8.289 12.577 1.00 0.00 C ATOM 934 C PHE A 64 5.008 -8.946 12.026 1.00 0.00 C ATOM 935 O PHE A 64 5.048 -9.629 11.002 1.00 0.00 O ATOM 936 CB PHE A 64 6.474 -6.914 11.939 1.00 0.00 C ATOM 937 CG PHE A 64 7.680 -6.180 12.451 1.00 0.00 C ATOM 938 CD1 PHE A 64 7.606 -5.410 13.601 1.00 0.00 C ATOM 939 CD2 PHE A 64 8.893 -6.259 11.782 1.00 0.00 C ATOM 940 CE1 PHE A 64 8.715 -4.733 14.072 1.00 0.00 C ATOM 941 CE2 PHE A 64 10.004 -5.586 12.253 1.00 0.00 C ATOM 942 CZ PHE A 64 9.915 -4.823 13.397 1.00 0.00 C ATOM 0 H PHE A 64 7.539 -9.461 11.388 1.00 0.00 H new ATOM 0 HA PHE A 64 6.150 -8.161 13.653 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.565 -7.035 10.860 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.587 -6.306 12.118 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.670 -5.338 14.136 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.970 -6.853 10.883 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.642 -4.134 14.968 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.943 -5.658 11.724 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.783 -4.296 13.765 1.00 0.00 H new ATOM 952 N ASP A 65 3.891 -8.733 12.712 1.00 0.00 N ATOM 953 CA ASP A 65 2.608 -9.269 12.269 1.00 0.00 C ATOM 954 C ASP A 65 1.549 -8.174 12.225 1.00 0.00 C ATOM 955 O ASP A 65 1.190 -7.600 13.253 1.00 0.00 O ATOM 956 CB ASP A 65 2.155 -10.407 13.188 1.00 0.00 C ATOM 957 CG ASP A 65 0.855 -11.078 12.763 1.00 0.00 C ATOM 958 OD1 ASP A 65 0.230 -10.592 11.851 1.00 0.00 O ATOM 959 OD2 ASP A 65 0.580 -12.150 13.245 1.00 0.00 O ATOM 0 H ASP A 65 3.847 -8.193 13.577 1.00 0.00 H new ATOM 0 HA ASP A 65 2.737 -9.664 11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.942 -11.160 13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.035 -10.016 14.198 1.00 0.00 H new ATOM 964 N PHE A 66 1.051 -7.888 11.026 1.00 0.00 N ATOM 965 CA PHE A 66 0.016 -6.874 10.849 1.00 0.00 C ATOM 966 C PHE A 66 -1.266 -7.494 10.302 1.00 0.00 C ATOM 967 O PHE A 66 -1.229 -8.304 9.375 1.00 0.00 O ATOM 968 CB PHE A 66 0.507 -5.765 9.916 1.00 0.00 C ATOM 969 CG PHE A 66 1.639 -4.956 10.481 1.00 0.00 C ATOM 970 CD1 PHE A 66 1.391 -3.847 11.276 1.00 0.00 C ATOM 971 CD2 PHE A 66 2.957 -5.303 10.219 1.00 0.00 C ATOM 972 CE1 PHE A 66 2.431 -3.102 11.795 1.00 0.00 C ATOM 973 CE2 PHE A 66 3.999 -4.560 10.738 1.00 0.00 C ATOM 974 CZ PHE A 66 3.738 -3.459 11.526 1.00 0.00 C ATOM 0 H PHE A 66 1.347 -8.344 10.163 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.202 -6.440 11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.826 -6.210 8.974 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.325 -5.099 9.689 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.372 -3.563 11.492 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.170 -6.164 9.602 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.223 -2.240 12.411 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.020 -4.842 10.526 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.553 -2.878 11.932 1.00 0.00 H new ATOM 984 N ALA A 67 -2.397 -7.108 10.881 1.00 0.00 N ATOM 985 CA ALA A 67 -3.693 -7.603 10.433 1.00 0.00 C ATOM 986 C ALA A 67 -4.747 -6.503 10.475 1.00 0.00 C ATOM 987 O ALA A 67 -4.727 -5.645 11.357 1.00 0.00 O ATOM 988 CB ALA A 67 -4.128 -8.786 11.284 1.00 0.00 C ATOM 0 H ALA A 67 -2.443 -6.454 11.662 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.590 -7.931 9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.097 -9.146 10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.392 -9.586 11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.206 -8.475 12.326 1.00 0.00 H new ATOM 994 N GLY A 68 -5.666 -6.533 9.516 1.00 0.00 N ATOM 995 CA GLY A 68 -6.729 -5.544 9.477 1.00 0.00 C ATOM 996 C GLY A 68 -7.831 -5.917 8.504 1.00 0.00 C ATOM 997 O GLY A 68 -7.748 -6.939 7.822 1.00 0.00 O ATOM 0 H GLY A 68 -5.695 -7.223 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.152 -5.430 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.312 -4.577 9.196 1.00 0.00 H new ATOM 1001 N THR A 69 -8.868 -5.088 8.441 1.00 0.00 N ATOM 1002 CA THR A 69 -9.987 -5.331 7.541 1.00 0.00 C ATOM 1003 C THR A 69 -10.285 -4.103 6.689 1.00 0.00 C ATOM 1004 O THR A 69 -9.972 -2.976 7.075 1.00 0.00 O ATOM 1005 CB THR A 69 -11.258 -5.727 8.314 1.00 0.00 C ATOM 1006 OG1 THR A 69 -11.634 -4.664 9.199 1.00 0.00 O ATOM 1007 CG2 THR A 69 -11.017 -6.993 9.122 1.00 0.00 C ATOM 0 H THR A 69 -8.956 -4.242 9.003 1.00 0.00 H new ATOM 0 HA THR A 69 -9.695 -6.157 6.893 1.00 0.00 H new ATOM 0 HB THR A 69 -12.058 -5.912 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.444 -4.917 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.926 -7.258 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.743 -7.807 8.450 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.209 -6.822 9.833 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.893 -4.327 5.528 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.336 -3.230 4.674 1.00 0.00 C ATOM 1017 C TYR A 70 -12.655 -2.650 5.172 1.00 0.00 C ATOM 1018 O TYR A 70 -13.504 -3.367 5.702 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.490 -3.712 3.231 1.00 0.00 C ATOM 1020 CG TYR A 70 -10.175 -4.018 2.551 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -9.322 -2.999 2.148 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.784 -5.331 2.312 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -8.121 -3.275 1.526 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.583 -5.617 1.692 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.756 -4.586 1.301 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.558 -4.864 0.682 1.00 0.00 O ATOM 0 H TYR A 70 -11.090 -5.257 5.157 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.580 -2.446 4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.112 -4.607 3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.018 -2.950 2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.604 -1.971 2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.430 -6.141 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.471 -2.469 1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.294 -6.642 1.515 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.167 -4.034 0.338 1.00 0.00 H new ATOM 1036 N THR A 71 -12.822 -1.342 4.998 1.00 0.00 N ATOM 1037 CA THR A 71 -14.059 -0.671 5.377 1.00 0.00 C ATOM 1038 C THR A 71 -14.824 -0.193 4.151 1.00 0.00 C ATOM 1039 O THR A 71 -16.049 -0.063 4.180 1.00 0.00 O ATOM 1040 CB THR A 71 -13.789 0.529 6.303 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.002 1.504 5.607 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.047 0.083 7.554 1.00 0.00 C ATOM 0 H THR A 71 -12.115 -0.726 4.597 1.00 0.00 H new ATOM 0 HA THR A 71 -14.662 -1.403 5.914 1.00 0.00 H new ATOM 0 HB THR A 71 -14.744 0.964 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.055 2.363 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.865 0.945 8.196 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.648 -0.650 8.092 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.095 -0.366 7.272 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.097 0.069 3.069 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.706 0.555 1.836 1.00 0.00 C ATOM 1052 C LYS A 72 -13.827 0.230 0.633 1.00 0.00 C ATOM 1053 O LYS A 72 -12.623 0.486 0.644 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.955 2.062 1.917 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.712 2.639 0.730 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.028 4.113 0.938 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.830 4.678 -0.226 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.194 6.105 -0.010 1.00 0.00 N ATOM 0 H LYS A 72 -13.085 -0.047 3.021 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.663 0.049 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.514 2.277 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.996 2.572 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.119 2.517 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.638 2.084 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.589 4.239 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.100 4.674 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.250 4.587 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.737 4.089 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.739 6.451 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.769 6.190 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.328 6.672 0.094 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.438 -0.329 -0.407 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.754 -0.534 -1.677 1.00 0.00 C ATOM 1074 C VAL A 73 -14.670 -0.212 -2.852 1.00 0.00 C ATOM 1075 O VAL A 73 -15.761 -0.766 -2.973 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.241 -1.979 -1.818 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.541 -2.168 -3.155 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.302 -2.326 -0.673 1.00 0.00 C ATOM 0 H VAL A 73 -15.407 -0.648 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.901 0.145 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.097 -2.653 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.185 -3.195 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.241 -1.961 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.695 -1.484 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.950 -3.351 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.450 -1.646 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.832 -2.230 0.274 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.216 0.689 -3.719 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.039 1.169 -4.823 1.00 0.00 C ATOM 1090 C VAL A 74 -14.273 1.120 -6.140 1.00 0.00 C ATOM 1091 O VAL A 74 -13.239 1.767 -6.292 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.530 2.610 -4.579 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.359 3.097 -5.758 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.340 2.685 -3.293 1.00 0.00 C ATOM 0 H VAL A 74 -13.284 1.101 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.903 0.507 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.660 3.258 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.697 4.116 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.751 3.079 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.223 2.446 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.679 3.709 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.204 2.024 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.718 2.376 -2.453 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.791 0.347 -7.090 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.273 0.363 -8.453 1.00 0.00 C ATOM 1106 C GLU A 75 -12.748 0.273 -8.457 1.00 0.00 C ATOM 1107 O GLU A 75 -12.084 0.859 -9.311 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.729 1.625 -9.187 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.236 1.740 -9.363 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.606 2.996 -10.103 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.725 3.763 -10.410 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.752 3.135 -10.460 1.00 0.00 O ATOM 0 H GLU A 75 -15.568 -0.297 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.671 -0.508 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.372 2.498 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.258 1.649 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.608 0.872 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.720 1.735 -8.386 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.204 -0.466 -7.496 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.760 -0.637 -7.390 1.00 0.00 C ATOM 1121 C ASN A 76 -10.046 0.710 -7.458 1.00 0.00 C ATOM 1122 O ASN A 76 -8.958 0.822 -8.024 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.229 -1.569 -8.463 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.878 -2.926 -8.461 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.726 -3.706 -7.514 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -11.530 -3.242 -9.550 1.00 0.00 N ATOM 0 H ASN A 76 -12.741 -0.956 -6.780 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.557 -1.091 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.377 -1.107 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.154 -1.690 -8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.942 -4.170 -9.647 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.627 -2.560 -10.303 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.665 1.733 -6.878 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.283 3.112 -7.147 1.00 0.00 C ATOM 1135 C LYS A 77 -10.333 3.950 -5.873 1.00 0.00 C ATOM 1136 O LYS A 77 -9.565 4.898 -5.712 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.192 3.723 -8.215 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.822 5.143 -8.620 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.766 5.678 -9.686 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.343 7.062 -10.158 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.266 7.605 -11.191 1.00 0.00 N ATOM 0 H LYS A 77 -11.435 1.631 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.258 3.110 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.169 3.088 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.218 3.719 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.853 5.792 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.799 5.161 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.786 4.993 -10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.780 5.722 -9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.312 7.742 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.333 7.013 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.942 8.548 -11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.277 6.970 -12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.226 7.676 -10.796 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.239 3.592 -4.969 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.265 4.183 -3.637 1.00 0.00 C ATOM 1157 C ARG A 78 -11.299 3.101 -2.563 1.00 0.00 C ATOM 1158 O ARG A 78 -12.281 2.369 -2.436 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.407 5.175 -3.468 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.318 6.410 -4.351 1.00 0.00 C ATOM 1161 CD ARG A 78 -11.275 7.383 -3.940 1.00 0.00 C ATOM 1162 NE ARG A 78 -11.234 8.597 -4.739 1.00 0.00 N ATOM 1163 CZ ARG A 78 -10.542 8.735 -5.887 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -9.802 7.753 -6.353 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -10.606 9.894 -6.520 1.00 0.00 N ATOM 0 H ARG A 78 -11.965 2.895 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.342 4.750 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.347 4.664 -3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.442 5.493 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.121 6.096 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.286 6.912 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.440 7.655 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.301 6.896 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.767 9.401 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.746 6.871 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.284 7.873 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.168 10.654 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.093 10.028 -7.391 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.221 3.005 -1.792 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.076 1.939 -0.810 1.00 0.00 C ATOM 1181 C ILE A 79 -9.722 2.500 0.565 1.00 0.00 C ATOM 1182 O ILE A 79 -8.740 3.225 0.714 1.00 0.00 O ATOM 1183 CB ILE A 79 -8.999 0.922 -1.233 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.389 0.250 -2.553 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -8.792 -0.118 -0.143 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.751 0.880 -3.770 1.00 0.00 C ATOM 0 H ILE A 79 -9.435 3.654 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.039 1.431 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.059 1.454 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.108 -0.802 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.473 0.287 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.028 -0.829 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.472 0.375 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.728 -0.647 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.075 0.350 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.052 1.925 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.666 0.819 -3.685 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.531 2.158 1.562 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.218 2.494 2.946 1.00 0.00 C ATOM 1200 C GLU A 80 -9.987 1.233 3.774 1.00 0.00 C ATOM 1201 O GLU A 80 -10.808 0.314 3.767 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.339 3.333 3.563 1.00 0.00 C ATOM 1203 CG GLU A 80 -11.043 3.845 4.965 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.194 4.646 5.509 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.513 5.658 4.931 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -12.824 4.191 6.433 1.00 0.00 O ATOM 0 H GLU A 80 -11.406 1.649 1.438 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.299 3.081 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.538 4.185 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.250 2.735 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.839 3.003 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.144 4.462 4.947 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.865 1.196 4.484 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.408 -0.030 5.128 1.00 0.00 C ATOM 1215 C TYR A 81 -7.893 0.253 6.536 1.00 0.00 C ATOM 1216 O TYR A 81 -7.306 1.302 6.794 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.316 -0.700 4.292 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.686 -1.904 4.957 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -7.392 -3.089 5.103 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.385 -1.851 5.435 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -6.821 -4.191 5.711 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.805 -2.947 6.044 1.00 0.00 C ATOM 1223 CZ TYR A 81 -5.525 -4.116 6.180 1.00 0.00 C ATOM 1224 OH TYR A 81 -4.952 -5.210 6.785 1.00 0.00 O ATOM 0 H TYR A 81 -8.255 2.001 4.628 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.258 -0.708 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.741 -1.006 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -6.538 0.032 4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.406 -3.152 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.817 -0.939 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.386 -5.105 5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.791 -2.889 6.412 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.036 -4.991 7.057 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.120 -0.691 7.443 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.649 -0.561 8.817 1.00 0.00 C ATOM 1236 C ALA A 82 -6.688 -1.689 9.176 1.00 0.00 C ATOM 1237 O ALA A 82 -6.877 -2.834 8.767 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.828 -0.543 9.778 1.00 0.00 C ATOM 0 H ALA A 82 -8.627 -1.555 7.251 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.109 0.382 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.463 -0.446 10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.477 0.301 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.391 -1.471 9.681 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.656 -1.357 9.946 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.701 -2.353 10.414 1.00 0.00 C ATOM 1246 C PHE A 83 -4.180 -1.996 11.803 1.00 0.00 C ATOM 1247 O PHE A 83 -3.788 -0.857 12.058 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.538 -2.484 9.430 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.799 -1.198 9.190 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -3.231 -0.303 8.223 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.670 -0.881 9.931 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -2.552 0.879 8.000 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.990 0.302 9.711 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.430 1.182 8.746 1.00 0.00 C ATOM 0 H PHE A 83 -5.461 -0.406 10.258 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.216 -3.312 10.477 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.838 -3.230 9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.919 -2.856 8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.109 -0.533 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.318 -1.566 10.688 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.899 1.566 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.113 0.537 10.296 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.899 2.106 8.574 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.180 -2.978 12.699 1.00 0.00 N ATOM 1265 CA GLY A 84 -3.747 -2.737 14.063 1.00 0.00 C ATOM 1266 C GLY A 84 -4.556 -1.650 14.745 1.00 0.00 C ATOM 1267 O GLY A 84 -5.776 -1.760 14.867 1.00 0.00 O ATOM 0 H GLY A 84 -4.472 -3.936 12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.830 -3.661 14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.694 -2.456 14.062 1.00 0.00 H new ATOM 1271 N ASP A 85 -3.876 -0.600 15.189 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.550 0.580 15.718 1.00 0.00 C ATOM 1273 C ASP A 85 -4.322 1.788 14.813 1.00 0.00 C ATOM 1274 O ASP A 85 -4.398 2.933 15.259 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.068 0.885 17.137 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.573 1.152 17.251 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -1.885 0.994 16.269 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.154 1.657 18.264 1.00 0.00 O ATOM 0 H ASP A 85 -2.858 -0.541 15.193 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.619 0.370 15.750 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.609 1.753 17.512 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.325 0.045 17.783 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.043 1.523 13.541 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.858 2.588 12.561 1.00 0.00 C ATOM 1285 C ARG A 86 -4.706 2.335 11.319 1.00 0.00 C ATOM 1286 O ARG A 86 -5.164 1.218 11.081 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.393 2.797 12.208 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.510 3.225 13.369 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.765 4.605 13.855 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.888 5.037 14.931 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.143 4.865 16.243 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -2.263 4.307 16.648 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -0.248 5.295 17.115 1.00 0.00 N ATOM 0 H ARG A 86 -3.940 0.581 13.164 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.201 3.516 13.019 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.998 1.870 11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.327 3.551 11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.654 2.529 14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.466 3.147 13.064 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.661 5.296 13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.798 4.671 14.196 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.018 5.503 14.675 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.954 3.997 15.965 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.440 4.184 17.645 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.608 5.743 16.788 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.413 5.179 18.115 1.00 0.00 H new ATOM 1307 N THR A 87 -4.911 3.384 10.525 1.00 0.00 N ATOM 1308 CA THR A 87 -5.715 3.279 9.315 1.00 0.00 C ATOM 1309 C THR A 87 -4.993 3.898 8.122 1.00 0.00 C ATOM 1310 O THR A 87 -4.100 4.727 8.287 1.00 0.00 O ATOM 1311 CB THR A 87 -7.084 3.962 9.485 1.00 0.00 C ATOM 1312 OG1 THR A 87 -6.896 5.362 9.729 1.00 0.00 O ATOM 1313 CG2 THR A 87 -7.845 3.346 10.649 1.00 0.00 C ATOM 0 H THR A 87 -4.531 4.314 10.700 1.00 0.00 H new ATOM 0 HA THR A 87 -5.872 2.216 9.131 1.00 0.00 H new ATOM 0 HB THR A 87 -7.660 3.820 8.571 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.768 5.796 9.835 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.810 3.841 10.755 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.000 2.284 10.461 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.270 3.472 11.567 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.389 3.488 6.921 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.854 4.078 5.700 1.00 0.00 C ATOM 1323 C ALA A 88 -5.882 4.033 4.573 1.00 0.00 C ATOM 1324 O ALA A 88 -6.762 3.173 4.556 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.578 3.364 5.282 1.00 0.00 C ATOM 0 H ALA A 88 -6.077 2.751 6.768 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.621 5.123 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.191 3.816 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.835 3.453 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.793 2.310 5.103 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.766 4.966 3.634 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.691 5.041 2.511 1.00 0.00 C ATOM 1333 C LYS A 89 -5.938 5.172 1.191 1.00 0.00 C ATOM 1334 O LYS A 89 -5.061 6.023 1.047 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.655 6.216 2.688 1.00 0.00 C ATOM 1336 CG LYS A 89 -8.759 6.288 1.641 1.00 0.00 C ATOM 1337 CD LYS A 89 -9.695 7.459 1.903 1.00 0.00 C ATOM 1338 CE LYS A 89 -10.823 7.505 0.883 1.00 0.00 C ATOM 1339 NZ LYS A 89 -11.779 8.610 1.161 1.00 0.00 N ATOM 0 H LYS A 89 -5.039 5.681 3.629 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.266 4.115 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.111 6.150 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.085 7.145 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.317 6.388 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.327 5.358 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.113 7.376 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.132 8.392 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.404 7.630 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.356 6.554 0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.532 8.606 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.198 8.477 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.276 9.520 1.131 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.286 4.322 0.230 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.643 4.343 -1.079 1.00 0.00 C ATOM 1355 C VAL A 90 -6.597 4.851 -2.154 1.00 0.00 C ATOM 1356 O VAL A 90 -7.715 4.357 -2.289 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.131 2.946 -1.479 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.464 2.995 -2.845 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.163 2.413 -0.434 1.00 0.00 C ATOM 0 H VAL A 90 -7.009 3.610 0.333 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.794 5.022 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.984 2.270 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.108 2.000 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.184 3.335 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.621 3.685 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.812 1.425 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.313 3.089 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.670 2.341 0.528 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.146 5.843 -2.916 1.00 0.00 N ATOM 1370 CA GLU A 91 -6.963 6.422 -3.976 1.00 0.00 C ATOM 1371 C GLU A 91 -6.235 6.367 -5.316 1.00 0.00 C ATOM 1372 O GLU A 91 -5.017 6.532 -5.381 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.338 7.866 -3.637 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.127 8.025 -2.345 1.00 0.00 C ATOM 1375 CD GLU A 91 -8.499 9.461 -2.105 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.133 10.292 -2.902 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.243 9.715 -1.186 1.00 0.00 O ATOM 0 H GLU A 91 -5.221 6.262 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.877 5.833 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.426 8.458 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.923 8.279 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.030 7.416 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.535 7.656 -1.507 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.990 6.132 -6.383 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.421 6.070 -7.724 1.00 0.00 C ATOM 1386 C PHE A 92 -6.994 7.173 -8.610 1.00 0.00 C ATOM 1387 O PHE A 92 -8.209 7.362 -8.678 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.677 4.699 -8.352 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.919 3.581 -7.696 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -4.634 3.261 -8.104 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -6.491 2.847 -6.667 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -3.936 2.232 -7.503 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -5.794 1.817 -6.062 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.517 1.510 -6.479 1.00 0.00 C ATOM 0 H PHE A 92 -7.998 5.981 -6.345 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.345 6.221 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.744 4.480 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.408 4.737 -9.408 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.172 3.823 -8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.491 3.082 -6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.936 1.992 -7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.251 1.253 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.972 0.707 -6.006 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.111 7.898 -9.286 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.528 8.879 -10.283 1.00 0.00 C ATOM 1406 C LEU A 93 -6.043 8.484 -11.674 1.00 0.00 C ATOM 1407 O LEU A 93 -4.846 8.308 -11.896 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.007 10.272 -9.909 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.277 11.370 -10.946 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.774 11.608 -11.078 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.562 12.648 -10.531 1.00 0.00 C ATOM 0 H LEU A 93 -5.101 7.826 -9.163 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.618 8.905 -10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.459 10.569 -8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.932 10.208 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.896 11.054 -11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.955 12.389 -11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.262 10.687 -11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.179 11.918 -10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.754 13.428 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.930 12.971 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.490 12.462 -10.471 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.980 8.350 -12.606 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.647 7.965 -13.973 1.00 0.00 C ATOM 1425 C GLU A 94 -6.121 9.161 -14.762 1.00 0.00 C ATOM 1426 O GLU A 94 -6.822 10.157 -14.940 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.868 7.365 -14.674 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.594 6.846 -16.078 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.838 6.275 -16.702 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.863 6.298 -16.065 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.789 5.919 -17.856 1.00 0.00 O ATOM 0 H GLU A 94 -7.975 8.502 -12.441 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.862 7.210 -13.929 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.255 6.547 -14.066 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.651 8.122 -14.726 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.212 7.656 -16.699 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.819 6.080 -16.040 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.884 9.053 -15.234 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.282 10.101 -16.050 1.00 0.00 C ATOM 1440 C ALA A 95 -4.070 9.625 -17.483 1.00 0.00 C ATOM 1441 O ALA A 95 -3.995 8.428 -17.762 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.964 10.554 -15.441 1.00 0.00 C ATOM 0 H ALA A 95 -4.278 8.250 -15.065 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.967 10.948 -16.073 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.527 11.336 -16.061 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.141 10.942 -14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.279 9.708 -15.387 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.971 10.583 -18.418 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.704 10.289 -19.828 1.00 0.00 C ATOM 1450 C PRO A 96 -2.306 9.722 -20.048 1.00 0.00 C ATOM 1451 O PRO A 96 -2.063 9.006 -21.019 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.885 11.641 -20.526 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.607 12.648 -19.464 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.136 12.042 -18.191 1.00 0.00 C ATOM 0 HA PRO A 96 -4.370 9.521 -20.220 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.198 11.749 -21.366 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.894 11.751 -20.923 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.539 12.854 -19.387 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.099 13.596 -19.682 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.575 12.380 -17.320 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.179 12.308 -18.021 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.391 10.046 -19.140 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.004 9.614 -19.264 1.00 0.00 C ATOM 1464 C GLN A 97 0.254 8.364 -18.429 1.00 0.00 C ATOM 1465 O GLN A 97 1.213 7.633 -18.670 1.00 0.00 O ATOM 1466 CB GLN A 97 0.947 10.733 -18.832 1.00 0.00 C ATOM 1467 CG GLN A 97 0.828 12.003 -19.655 1.00 0.00 C ATOM 1468 CD GLN A 97 1.106 11.767 -21.128 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.097 11.128 -21.492 1.00 0.00 O ATOM 1470 NE2 GLN A 97 0.235 12.288 -21.984 1.00 0.00 N ATOM 0 H GLN A 97 -1.585 10.606 -18.310 1.00 0.00 H new ATOM 0 HA GLN A 97 0.180 9.376 -20.312 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.757 10.972 -17.786 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.972 10.368 -18.894 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.174 12.415 -19.539 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.525 12.748 -19.271 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.571 12.809 -21.638 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.372 12.167 -22.988 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.611 8.125 -17.448 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.394 7.030 -16.520 1.00 0.00 C ATOM 1481 C GLY A 98 -1.445 6.979 -15.428 1.00 0.00 C ATOM 1482 O GLY A 98 -2.507 7.589 -15.551 1.00 0.00 O ATOM 0 H GLY A 98 -1.457 8.669 -17.279 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.397 6.088 -17.068 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.592 7.132 -16.067 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.150 6.250 -14.358 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.035 6.196 -13.200 1.00 0.00 C ATOM 1488 C VAL A 99 -1.375 6.821 -11.976 1.00 0.00 C ATOM 1489 O VAL A 99 -0.256 6.463 -11.609 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.446 4.749 -12.870 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.356 4.720 -11.652 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.134 4.105 -14.063 1.00 0.00 C ATOM 0 H VAL A 99 -0.304 5.687 -14.268 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.928 6.765 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.546 4.178 -12.643 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.637 3.690 -11.432 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.831 5.143 -10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.253 5.306 -11.854 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.417 3.083 -13.812 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.026 4.676 -14.320 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.452 4.094 -14.914 1.00 0.00 H new ATOM 1502 N THR A 100 -2.077 7.758 -11.345 1.00 0.00 N ATOM 1503 CA THR A 100 -1.563 8.427 -10.157 1.00 0.00 C ATOM 1504 C THR A 100 -2.120 7.795 -8.886 1.00 0.00 C ATOM 1505 O THR A 100 -3.335 7.721 -8.698 1.00 0.00 O ATOM 1506 CB THR A 100 -1.903 9.929 -10.164 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.258 10.562 -11.277 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.440 10.586 -8.872 1.00 0.00 C ATOM 0 H THR A 100 -3.003 8.070 -11.638 1.00 0.00 H new ATOM 0 HA THR A 100 -0.479 8.310 -10.173 1.00 0.00 H new ATOM 0 HB THR A 100 -2.984 10.042 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.288 10.566 -11.134 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.688 11.647 -8.894 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.938 10.114 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.361 10.468 -8.770 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.224 7.339 -8.016 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.626 6.641 -6.800 1.00 0.00 C ATOM 1518 C VAL A 101 -1.349 7.490 -5.564 1.00 0.00 C ATOM 1519 O VAL A 101 -0.213 7.893 -5.317 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.900 5.290 -6.657 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.371 4.563 -5.406 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.128 4.429 -7.890 1.00 0.00 C ATOM 0 H VAL A 101 -0.216 7.440 -8.131 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.698 6.458 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 101 0.169 5.482 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.848 3.610 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.159 5.174 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.444 4.383 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.608 3.479 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.195 4.246 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.744 4.945 -8.770 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.397 7.758 -4.792 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.266 8.552 -3.576 1.00 0.00 C ATOM 1534 C ARG A 102 -2.653 7.734 -2.347 1.00 0.00 C ATOM 1535 O ARG A 102 -3.755 7.189 -2.274 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.051 9.854 -3.652 1.00 0.00 C ATOM 1537 CG ARG A 102 -2.875 10.777 -2.457 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.521 12.106 -2.610 1.00 0.00 C ATOM 1539 NE ARG A 102 -4.974 12.072 -2.632 1.00 0.00 N ATOM 1540 CZ ARG A 102 -5.763 13.155 -2.772 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.247 14.361 -2.864 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -7.072 12.975 -2.790 1.00 0.00 N ATOM 0 H ARG A 102 -3.346 7.437 -4.987 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.216 8.827 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.753 10.389 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.110 9.618 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.282 10.288 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.810 10.922 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.198 12.749 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.167 12.564 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.428 11.164 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.235 14.487 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.858 15.171 -2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.459 12.036 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.695 13.775 -2.895 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.740 7.652 -1.385 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.982 6.892 -0.165 1.00 0.00 C ATOM 1558 C VAL A 103 -1.813 7.769 1.072 1.00 0.00 C ATOM 1559 O VAL A 103 -0.762 8.374 1.277 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.036 5.680 -0.057 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.318 4.896 1.216 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.180 4.783 -1.276 1.00 0.00 C ATOM 0 H VAL A 103 -0.826 8.103 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.010 6.534 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.010 6.046 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.641 4.044 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.167 5.541 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.348 4.541 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.505 3.932 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.207 4.425 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.931 5.348 -2.175 1.00 0.00 H new ATOM 1572 N SER A 104 -2.858 7.833 1.891 1.00 0.00 N ATOM 1573 CA SER A 104 -2.823 8.630 3.112 1.00 0.00 C ATOM 1574 C SER A 104 -3.092 7.760 4.336 1.00 0.00 C ATOM 1575 O SER A 104 -4.046 6.982 4.361 1.00 0.00 O ATOM 1576 CB SER A 104 -3.832 9.759 3.030 1.00 0.00 C ATOM 1577 OG SER A 104 -3.797 10.581 4.164 1.00 0.00 O ATOM 0 H SER A 104 -3.738 7.343 1.732 1.00 0.00 H new ATOM 0 HA SER A 104 -1.826 9.059 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.633 10.359 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.833 9.343 2.916 1.00 0.00 H new ATOM 0 HG SER A 104 -3.212 11.348 3.994 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.245 7.897 5.350 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.274 7.000 6.500 1.00 0.00 C ATOM 1585 C PHE A 105 -2.045 7.770 7.797 1.00 0.00 C ATOM 1586 O PHE A 105 -1.536 8.889 7.785 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.224 5.898 6.347 1.00 0.00 C ATOM 1588 CG PHE A 105 0.191 6.399 6.394 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.796 6.922 5.261 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.921 6.348 7.573 1.00 0.00 C ATOM 1591 CE1 PHE A 105 2.098 7.383 5.303 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.223 6.808 7.618 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.812 7.325 6.483 1.00 0.00 C ATOM 0 H PHE A 105 -1.529 8.622 5.399 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.261 6.540 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.365 5.162 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.386 5.383 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.243 6.970 4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.466 5.944 8.465 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.557 7.788 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.780 6.763 8.542 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.830 7.684 6.517 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.428 7.160 8.915 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.180 7.745 10.227 1.00 0.00 C ATOM 1605 C VAL A 106 -0.758 7.465 10.694 1.00 0.00 C ATOM 1606 O VAL A 106 -0.308 6.319 10.696 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.171 7.213 11.280 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.859 7.796 12.649 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.601 7.537 10.877 1.00 0.00 C ATOM 0 H VAL A 106 -2.911 6.262 8.938 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.319 8.821 10.123 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.065 6.130 11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.569 7.409 13.380 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.847 7.515 12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.936 8.882 12.608 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.287 7.154 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.720 8.617 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.822 7.072 9.916 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.053 8.519 11.091 1.00 0.00 N ATOM 1620 CA ALA A 107 1.341 8.397 11.500 1.00 0.00 C ATOM 1621 C ALA A 107 1.454 7.741 12.873 1.00 0.00 C ATOM 1622 O ALA A 107 0.617 7.963 13.747 1.00 0.00 O ATOM 1623 CB ALA A 107 2.011 9.762 11.509 1.00 0.00 C ATOM 0 H ALA A 107 -0.425 9.468 11.138 1.00 0.00 H new ATOM 0 HA ALA A 107 1.851 7.760 10.778 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.051 9.655 11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.971 10.194 10.509 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.492 10.418 12.208 1.00 0.00 H new ATOM 1629 N GLU A 108 2.495 6.934 13.055 1.00 0.00 N ATOM 1630 CA GLU A 108 2.751 6.295 14.340 1.00 0.00 C ATOM 1631 C GLU A 108 3.360 7.284 15.329 1.00 0.00 C ATOM 1632 O GLU A 108 4.375 7.920 15.043 1.00 0.00 O ATOM 1633 CB GLU A 108 3.673 5.086 14.165 1.00 0.00 C ATOM 1634 CG GLU A 108 3.743 4.167 15.377 1.00 0.00 C ATOM 1635 CD GLU A 108 2.474 3.376 15.536 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.657 3.414 14.648 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.371 2.645 16.492 1.00 0.00 O ATOM 0 H GLU A 108 3.174 6.708 12.329 1.00 0.00 H new ATOM 0 HA GLU A 108 1.797 5.952 14.741 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.335 4.508 13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.678 5.441 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.588 3.486 15.272 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.920 4.759 16.275 1.00 0.00 H new ATOM 1644 N THR A 109 2.731 7.411 16.494 1.00 0.00 N ATOM 1645 CA THR A 109 3.183 8.356 17.507 1.00 0.00 C ATOM 1646 C THR A 109 4.544 7.958 18.064 1.00 0.00 C ATOM 1647 O THR A 109 5.273 8.790 18.600 1.00 0.00 O ATOM 1648 CB THR A 109 2.175 8.465 18.667 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.033 7.188 19.302 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.819 8.926 18.155 1.00 0.00 C ATOM 0 H THR A 109 1.907 6.871 16.759 1.00 0.00 H new ATOM 0 HA THR A 109 3.265 9.326 17.017 1.00 0.00 H new ATOM 0 HB THR A 109 2.548 9.196 19.384 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.393 7.259 20.041 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.120 8.997 18.989 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.921 9.903 17.683 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.442 8.209 17.426 1.00 0.00 H new ATOM 1658 N GLU A 110 4.879 6.678 17.935 1.00 0.00 N ATOM 1659 CA GLU A 110 6.155 6.168 18.427 1.00 0.00 C ATOM 1660 C GLU A 110 7.306 6.647 17.548 1.00 0.00 C ATOM 1661 O GLU A 110 8.472 6.564 17.934 1.00 0.00 O ATOM 1662 CB GLU A 110 6.135 4.640 18.487 1.00 0.00 C ATOM 1663 CG GLU A 110 5.193 4.062 19.533 1.00 0.00 C ATOM 1664 CD GLU A 110 5.160 2.561 19.470 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.821 2.006 18.625 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.565 1.963 20.335 1.00 0.00 O ATOM 0 H GLU A 110 4.285 5.975 17.494 1.00 0.00 H new ATOM 0 HA GLU A 110 6.308 6.555 19.434 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.851 4.254 17.508 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.145 4.284 18.689 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.511 4.379 20.526 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.189 4.457 19.378 1.00 0.00 H new ATOM 1673 N TYR A 111 6.970 7.150 16.365 1.00 0.00 N ATOM 1674 CA TYR A 111 7.978 7.614 15.419 1.00 0.00 C ATOM 1675 C TYR A 111 7.664 9.028 14.940 1.00 0.00 C ATOM 1676 O TYR A 111 6.509 9.451 14.884 1.00 0.00 O ATOM 1677 CB TYR A 111 8.073 6.662 14.225 1.00 0.00 C ATOM 1678 CG TYR A 111 8.508 5.261 14.590 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.576 4.288 14.921 1.00 0.00 C ATOM 1680 CD2 TYR A 111 9.851 4.914 14.603 1.00 0.00 C ATOM 1681 CE1 TYR A 111 7.967 3.006 15.257 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.254 3.636 14.937 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.310 2.684 15.262 1.00 0.00 C ATOM 1684 OH TYR A 111 9.706 1.410 15.595 1.00 0.00 O ATOM 0 H TYR A 111 6.008 7.247 16.039 1.00 0.00 H new ATOM 0 HA TYR A 111 8.940 7.630 15.932 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.101 6.613 13.734 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.776 7.073 13.501 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.525 4.537 14.916 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.594 5.655 14.348 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.228 2.261 15.514 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.304 3.383 14.944 1.00 0.00 H new ATOM 0 HH TYR A 111 10.683 1.349 15.549 1.00 0.00 H new ATOM 1694 N PRO A 112 8.717 9.780 14.586 1.00 0.00 N ATOM 1695 CA PRO A 112 8.577 11.126 14.024 1.00 0.00 C ATOM 1696 C PRO A 112 7.907 11.116 12.654 1.00 0.00 C ATOM 1697 O PRO A 112 8.065 10.169 11.882 1.00 0.00 O ATOM 1698 CB PRO A 112 10.016 11.646 13.950 1.00 0.00 C ATOM 1699 CG PRO A 112 10.852 10.415 13.856 1.00 0.00 C ATOM 1700 CD PRO A 112 10.144 9.388 14.700 1.00 0.00 C ATOM 0 HA PRO A 112 7.933 11.760 14.633 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.161 12.292 13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.272 12.233 14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.943 10.080 12.823 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.862 10.597 14.223 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.314 8.377 14.331 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.487 9.412 15.734 1.00 0.00 H new ATOM 1708 N VAL A 113 7.158 12.173 12.357 1.00 0.00 N ATOM 1709 CA VAL A 113 6.424 12.262 11.102 1.00 0.00 C ATOM 1710 C VAL A 113 7.358 12.113 9.906 1.00 0.00 C ATOM 1711 O VAL A 113 6.962 11.613 8.855 1.00 0.00 O ATOM 1712 CB VAL A 113 5.664 13.596 10.986 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.592 13.694 12.061 1.00 0.00 C ATOM 1714 CG2 VAL A 113 6.627 14.769 11.088 1.00 0.00 C ATOM 0 H VAL A 113 7.044 12.980 12.970 1.00 0.00 H new ATOM 0 HA VAL A 113 5.704 11.444 11.100 1.00 0.00 H new ATOM 0 HB VAL A 113 5.179 13.631 10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.065 14.643 11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.885 12.873 11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.057 13.636 13.045 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.072 15.704 11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.140 14.736 12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.360 14.709 10.284 1.00 0.00 H new ATOM 1724 N GLU A 114 8.602 12.550 10.076 1.00 0.00 N ATOM 1725 CA GLU A 114 9.606 12.424 9.027 1.00 0.00 C ATOM 1726 C GLU A 114 9.900 10.957 8.727 1.00 0.00 C ATOM 1727 O GLU A 114 10.050 10.568 7.569 1.00 0.00 O ATOM 1728 CB GLU A 114 10.893 13.150 9.426 1.00 0.00 C ATOM 1729 CG GLU A 114 10.778 14.668 9.448 1.00 0.00 C ATOM 1730 CD GLU A 114 12.037 15.303 9.970 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.924 14.584 10.363 1.00 0.00 O ATOM 1732 OE2 GLU A 114 12.158 16.501 9.871 1.00 0.00 O ATOM 0 H GLU A 114 8.938 12.994 10.930 1.00 0.00 H new ATOM 0 HA GLU A 114 9.209 12.886 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.198 12.807 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.685 12.868 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.573 15.034 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.934 14.962 10.072 1.00 0.00 H new ATOM 1739 N GLN A 115 9.978 10.150 9.779 1.00 0.00 N ATOM 1740 CA GLN A 115 10.265 8.727 9.630 1.00 0.00 C ATOM 1741 C GLN A 115 9.131 8.017 8.897 1.00 0.00 C ATOM 1742 O GLN A 115 9.371 7.147 8.060 1.00 0.00 O ATOM 1743 CB GLN A 115 10.486 8.076 10.999 1.00 0.00 C ATOM 1744 CG GLN A 115 10.842 6.601 10.937 1.00 0.00 C ATOM 1745 CD GLN A 115 12.161 6.354 10.229 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.159 7.031 10.490 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.172 5.381 9.325 1.00 0.00 N ATOM 0 H GLN A 115 9.847 10.456 10.743 1.00 0.00 H new ATOM 0 HA GLN A 115 11.176 8.630 9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.283 8.609 11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.582 8.195 11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.895 6.200 11.949 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.049 6.060 10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.323 4.846 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.029 5.169 8.815 1.00 0.00 H new ATOM 1756 N GLN A 116 7.898 8.394 9.219 1.00 0.00 N ATOM 1757 CA GLN A 116 6.727 7.782 8.602 1.00 0.00 C ATOM 1758 C GLN A 116 6.600 8.202 7.141 1.00 0.00 C ATOM 1759 O GLN A 116 6.307 7.380 6.273 1.00 0.00 O ATOM 1760 CB GLN A 116 5.456 8.163 9.365 1.00 0.00 C ATOM 1761 CG GLN A 116 5.352 7.547 10.749 1.00 0.00 C ATOM 1762 CD GLN A 116 5.297 6.031 10.705 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.435 5.446 10.042 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.216 5.385 11.413 1.00 0.00 N ATOM 0 H GLN A 116 7.684 9.120 9.903 1.00 0.00 H new ATOM 0 HA GLN A 116 6.854 6.700 8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.413 9.248 9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.589 7.859 8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.207 7.860 11.348 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.459 7.926 11.246 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.910 5.909 11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.228 4.365 11.423 1.00 0.00 H new ATOM 1773 N GLN A 117 6.822 9.486 6.879 1.00 0.00 N ATOM 1774 CA GLN A 117 6.738 10.013 5.522 1.00 0.00 C ATOM 1775 C GLN A 117 7.796 9.378 4.625 1.00 0.00 C ATOM 1776 O GLN A 117 7.490 8.893 3.537 1.00 0.00 O ATOM 1777 CB GLN A 117 6.906 11.535 5.525 1.00 0.00 C ATOM 1778 CG GLN A 117 6.813 12.174 4.149 1.00 0.00 C ATOM 1779 CD GLN A 117 6.997 13.679 4.197 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.266 14.252 5.256 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.849 14.329 3.048 1.00 0.00 N ATOM 0 H GLN A 117 7.061 10.180 7.587 1.00 0.00 H new ATOM 0 HA GLN A 117 5.753 9.765 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.143 11.972 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.873 11.782 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.570 11.739 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.843 11.943 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.627 13.814 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.958 15.343 3.018 1.00 0.00 H new ATOM 1790 N GLN A 118 9.041 9.386 5.091 1.00 0.00 N ATOM 1791 CA GLN A 118 10.150 8.840 4.314 1.00 0.00 C ATOM 1792 C GLN A 118 10.027 7.325 4.183 1.00 0.00 C ATOM 1793 O GLN A 118 10.360 6.754 3.145 1.00 0.00 O ATOM 1794 CB GLN A 118 11.489 9.197 4.966 1.00 0.00 C ATOM 1795 CG GLN A 118 11.871 10.663 4.839 1.00 0.00 C ATOM 1796 CD GLN A 118 13.153 10.992 5.579 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.737 10.135 6.250 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.597 12.238 5.467 1.00 0.00 N ATOM 0 H GLN A 118 9.308 9.763 6.000 1.00 0.00 H new ATOM 0 HA GLN A 118 10.111 9.281 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.448 8.934 6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.273 8.588 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.988 10.915 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.062 11.282 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 118 13.083 12.914 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.452 12.520 5.946 1.00 0.00 H new ATOM 1807 N GLY A 119 9.546 6.680 5.241 1.00 0.00 N ATOM 1808 CA GLY A 119 9.372 5.240 5.216 1.00 0.00 C ATOM 1809 C GLY A 119 8.384 4.793 4.157 1.00 0.00 C ATOM 1810 O GLY A 119 8.648 3.849 3.412 1.00 0.00 O ATOM 0 H GLY A 119 9.274 7.129 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.335 4.764 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.029 4.902 6.194 1.00 0.00 H new ATOM 1814 N TRP A 120 7.244 5.472 4.089 1.00 0.00 N ATOM 1815 CA TRP A 120 6.236 5.174 3.079 1.00 0.00 C ATOM 1816 C TRP A 120 6.717 5.581 1.691 1.00 0.00 C ATOM 1817 O TRP A 120 6.407 4.923 0.699 1.00 0.00 O ATOM 1818 CB TRP A 120 4.926 5.892 3.409 1.00 0.00 C ATOM 1819 CG TRP A 120 3.854 4.972 3.910 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.719 4.599 3.249 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.817 4.312 5.180 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.978 3.747 4.032 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.631 3.554 5.220 1.00 0.00 C ATOM 1824 CE3 TRP A 120 4.671 4.285 6.285 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 2.279 2.780 6.324 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 4.321 3.517 7.379 1.00 0.00 C ATOM 1827 CH2 TRP A 120 3.134 2.772 7.391 1.00 0.00 C ATOM 0 H TRP A 120 6.995 6.233 4.722 1.00 0.00 H new ATOM 0 HA TRP A 120 6.064 4.098 3.081 1.00 0.00 H new ATOM 0 HB2 TRP A 120 5.119 6.657 4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.567 6.405 2.517 1.00 0.00 H new ATOM 0 HD1 TRP A 120 2.444 4.926 2.257 1.00 0.00 H new ATOM 0 HE1 TRP A 120 1.086 3.327 3.771 1.00 0.00 H new ATOM 0 HE3 TRP A 120 5.589 4.854 6.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.364 2.207 6.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.973 3.490 8.239 1.00 0.00 H new ATOM 0 HH2 TRP A 120 2.890 2.180 8.260 1.00 0.00 H new ATOM 1838 N GLN A 121 7.478 6.669 1.629 1.00 0.00 N ATOM 1839 CA GLN A 121 8.032 7.144 0.366 1.00 0.00 C ATOM 1840 C GLN A 121 9.030 6.141 -0.202 1.00 0.00 C ATOM 1841 O GLN A 121 9.062 5.894 -1.407 1.00 0.00 O ATOM 1842 CB GLN A 121 8.711 8.502 0.552 1.00 0.00 C ATOM 1843 CG GLN A 121 9.240 9.116 -0.733 1.00 0.00 C ATOM 1844 CD GLN A 121 8.131 9.453 -1.712 1.00 0.00 C ATOM 1845 OE1 GLN A 121 7.184 10.169 -1.376 1.00 0.00 O ATOM 1846 NE2 GLN A 121 8.241 8.934 -2.929 1.00 0.00 N ATOM 0 H GLN A 121 7.725 7.238 2.438 1.00 0.00 H new ATOM 0 HA GLN A 121 7.208 7.254 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.999 9.192 1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.537 8.389 1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.800 10.021 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.938 8.423 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.042 8.347 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.525 9.122 -3.630 1.00 0.00 H new ATOM 1855 N ALA A 122 9.846 5.564 0.676 1.00 0.00 N ATOM 1856 CA ALA A 122 10.879 4.625 0.257 1.00 0.00 C ATOM 1857 C ALA A 122 10.264 3.370 -0.352 1.00 0.00 C ATOM 1858 O ALA A 122 10.717 2.885 -1.390 1.00 0.00 O ATOM 1859 CB ALA A 122 11.772 4.261 1.433 1.00 0.00 C ATOM 0 H ALA A 122 9.811 5.731 1.682 1.00 0.00 H new ATOM 0 HA ALA A 122 11.486 5.109 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.538 3.559 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.247 5.162 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.171 3.801 2.217 1.00 0.00 H new ATOM 1865 N ILE A 123 9.232 2.845 0.301 1.00 0.00 N ATOM 1866 CA ILE A 123 8.539 1.662 -0.191 1.00 0.00 C ATOM 1867 C ILE A 123 7.661 1.998 -1.393 1.00 0.00 C ATOM 1868 O ILE A 123 7.451 1.165 -2.276 1.00 0.00 O ATOM 1869 CB ILE A 123 7.670 1.021 0.905 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.565 1.985 1.344 1.00 0.00 C ATOM 1871 CG2 ILE A 123 8.528 0.613 2.093 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.588 1.387 2.331 1.00 0.00 C ATOM 0 H ILE A 123 8.858 3.221 1.172 1.00 0.00 H new ATOM 0 HA ILE A 123 9.307 0.950 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 123 7.202 0.126 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.023 2.868 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.017 2.320 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.898 0.161 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.279 -0.108 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.023 1.493 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 123 4.836 2.130 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.101 0.521 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.122 1.078 3.229 1.00 0.00 H new ATOM 1884 N LEU A 124 7.153 3.226 -1.421 1.00 0.00 N ATOM 1885 CA LEU A 124 6.401 3.716 -2.571 1.00 0.00 C ATOM 1886 C LEU A 124 7.306 3.862 -3.791 1.00 0.00 C ATOM 1887 O LEU A 124 6.876 3.650 -4.924 1.00 0.00 O ATOM 1888 CB LEU A 124 5.731 5.055 -2.238 1.00 0.00 C ATOM 1889 CG LEU A 124 4.689 5.535 -3.256 1.00 0.00 C ATOM 1890 CD1 LEU A 124 3.532 4.548 -3.325 1.00 0.00 C ATOM 1891 CD2 LEU A 124 4.195 6.919 -2.864 1.00 0.00 C ATOM 0 H LEU A 124 7.248 3.900 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 124 5.627 2.987 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.251 4.970 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 124 6.505 5.817 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 124 5.146 5.593 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.798 4.898 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.905 3.570 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 124 3.063 4.468 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.455 7.260 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.742 6.877 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.034 7.614 -2.849 1.00 0.00 H new ATOM 1903 N ASN A 125 8.561 4.226 -3.551 1.00 0.00 N ATOM 1904 CA ASN A 125 9.552 4.307 -4.619 1.00 0.00 C ATOM 1905 C ASN A 125 9.780 2.939 -5.254 1.00 0.00 C ATOM 1906 O ASN A 125 9.924 2.825 -6.471 1.00 0.00 O ATOM 1907 CB ASN A 125 10.864 4.881 -4.118 1.00 0.00 C ATOM 1908 CG ASN A 125 10.804 6.353 -3.816 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.902 7.065 -4.271 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.805 6.827 -3.118 1.00 0.00 N ATOM 0 H ASN A 125 8.917 4.470 -2.627 1.00 0.00 H new ATOM 0 HA ASN A 125 9.158 4.982 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 125 11.164 4.346 -3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 125 11.637 4.704 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.865 7.827 -2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.524 6.196 -2.765 1.00 0.00 H new ATOM 1917 N ASN A 126 9.812 1.904 -4.421 1.00 0.00 N ATOM 1918 CA ASN A 126 9.891 0.532 -4.911 1.00 0.00 C ATOM 1919 C ASN A 126 8.616 0.146 -5.657 1.00 0.00 C ATOM 1920 O ASN A 126 8.666 -0.555 -6.667 1.00 0.00 O ATOM 1921 CB ASN A 126 10.158 -0.447 -3.782 1.00 0.00 C ATOM 1922 CG ASN A 126 11.557 -0.374 -3.236 1.00 0.00 C ATOM 1923 OD1 ASN A 126 12.439 0.272 -3.815 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.785 -1.099 -2.170 1.00 0.00 N ATOM 0 H ASN A 126 9.785 1.989 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 126 10.729 0.482 -5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.452 -0.257 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.969 -1.459 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.726 -1.150 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 126 11.022 -1.613 -1.730 1.00 0.00 H new ATOM 1931 N PHE A 127 7.479 0.611 -5.152 1.00 0.00 N ATOM 1932 CA PHE A 127 6.203 0.411 -5.830 1.00 0.00 C ATOM 1933 C PHE A 127 6.225 1.034 -7.223 1.00 0.00 C ATOM 1934 O PHE A 127 5.821 0.409 -8.204 1.00 0.00 O ATOM 1935 CB PHE A 127 5.059 0.999 -5.004 1.00 0.00 C ATOM 1936 CG PHE A 127 3.727 0.961 -5.699 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.966 -0.198 -5.705 1.00 0.00 C ATOM 1938 CD2 PHE A 127 3.234 2.083 -6.347 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.740 -0.236 -6.344 1.00 0.00 C ATOM 1940 CE2 PHE A 127 2.010 2.050 -6.986 1.00 0.00 C ATOM 1941 CZ PHE A 127 1.263 0.888 -6.984 1.00 0.00 C ATOM 0 H PHE A 127 7.414 1.129 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 127 6.041 -0.662 -5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.984 0.452 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.298 2.032 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.335 -1.081 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.814 2.994 -6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.157 -1.145 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.637 2.931 -7.487 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.306 0.860 -7.484 1.00 0.00 H new ATOM 1951 N LYS A 128 6.700 2.272 -7.303 1.00 0.00 N ATOM 1952 CA LYS A 128 6.762 2.990 -8.571 1.00 0.00 C ATOM 1953 C LYS A 128 7.623 2.237 -9.580 1.00 0.00 C ATOM 1954 O LYS A 128 7.216 2.026 -10.722 1.00 0.00 O ATOM 1955 CB LYS A 128 7.305 4.404 -8.363 1.00 0.00 C ATOM 1956 CG LYS A 128 7.263 5.283 -9.606 1.00 0.00 C ATOM 1957 CD LYS A 128 8.549 5.166 -10.410 1.00 0.00 C ATOM 1958 CE LYS A 128 8.600 6.198 -11.527 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.904 6.179 -12.243 1.00 0.00 N ATOM 0 H LYS A 128 7.048 2.800 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 128 5.749 3.061 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.732 4.887 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.336 4.337 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 128 6.415 4.996 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 128 7.107 6.322 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 128 9.406 5.299 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.625 4.165 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.794 6.006 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.429 7.191 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.891 6.885 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.670 6.404 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 10.064 5.234 -12.647 1.00 0.00 H new ATOM 1973 N ARG A 129 8.814 1.835 -9.151 1.00 0.00 N ATOM 1974 CA ARG A 129 9.751 1.145 -10.029 1.00 0.00 C ATOM 1975 C ARG A 129 9.251 -0.258 -10.363 1.00 0.00 C ATOM 1976 O ARG A 129 9.458 -0.755 -11.470 1.00 0.00 O ATOM 1977 CB ARG A 129 11.161 1.116 -9.458 1.00 0.00 C ATOM 1978 CG ARG A 129 11.880 2.456 -9.462 1.00 0.00 C ATOM 1979 CD ARG A 129 13.240 2.423 -8.865 1.00 0.00 C ATOM 1980 NE ARG A 129 13.949 3.692 -8.909 1.00 0.00 N ATOM 1981 CZ ARG A 129 15.172 3.904 -8.386 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.810 2.948 -7.747 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.705 5.107 -8.512 1.00 0.00 N ATOM 0 H ARG A 129 9.154 1.975 -8.199 1.00 0.00 H new ATOM 0 HA ARG A 129 9.804 1.714 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.115 0.748 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.754 0.400 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.956 2.811 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 129 11.275 3.181 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 129 13.159 2.102 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.833 1.671 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 129 13.487 4.477 -9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 129 15.379 2.029 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.736 3.125 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 129 15.192 5.844 -8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.630 5.298 -8.126 1.00 0.00 H new ATOM 1997 N HIS A 130 8.593 -0.891 -9.397 1.00 0.00 N ATOM 1998 CA HIS A 130 8.054 -2.232 -9.591 1.00 0.00 C ATOM 1999 C HIS A 130 6.937 -2.224 -10.629 1.00 0.00 C ATOM 2000 O HIS A 130 6.925 -3.039 -11.552 1.00 0.00 O ATOM 2001 CB HIS A 130 7.539 -2.808 -8.268 1.00 0.00 C ATOM 2002 CG HIS A 130 6.933 -4.171 -8.400 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.677 -5.288 -8.721 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.656 -4.597 -8.255 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.882 -6.343 -8.768 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.652 -5.950 -8.489 1.00 0.00 N ATOM 0 H HIS A 130 8.420 -0.497 -8.472 1.00 0.00 H new ATOM 0 HA HIS A 130 8.862 -2.866 -9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 130 8.364 -2.854 -7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.796 -2.128 -7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.801 -3.987 -8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.186 -7.354 -8.996 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.831 -6.555 -8.453 1.00 0.00 H new ATOM 2013 N VAL A 131 5.996 -1.296 -10.471 1.00 0.00 N ATOM 2014 CA VAL A 131 4.897 -1.153 -11.418 1.00 0.00 C ATOM 2015 C VAL A 131 5.399 -0.667 -12.773 1.00 0.00 C ATOM 2016 O VAL A 131 4.928 -1.114 -13.818 1.00 0.00 O ATOM 2017 CB VAL A 131 3.826 -0.177 -10.897 1.00 0.00 C ATOM 2018 CG1 VAL A 131 2.800 0.117 -11.982 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.145 -0.744 -9.661 1.00 0.00 C ATOM 0 H VAL A 131 5.974 -0.633 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 131 4.449 -2.140 -11.533 1.00 0.00 H new ATOM 0 HB VAL A 131 4.316 0.757 -10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.051 0.808 -11.596 1.00 0.00 H new ATOM 0 HG12 VAL A 131 3.298 0.564 -12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.315 -0.811 -12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.391 -0.041 -9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.668 -1.692 -9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.887 -0.906 -8.879 1.00 0.00 H new ATOM 2029 N GLU A 132 6.360 0.252 -12.747 1.00 0.00 N ATOM 2030 CA GLU A 132 6.943 0.781 -13.975 1.00 0.00 C ATOM 2031 C GLU A 132 7.433 -0.348 -14.874 1.00 0.00 C ATOM 2032 O GLU A 132 7.344 -0.265 -16.099 1.00 0.00 O ATOM 2033 CB GLU A 132 8.093 1.738 -13.654 1.00 0.00 C ATOM 2034 CG GLU A 132 8.787 2.321 -14.878 1.00 0.00 C ATOM 2035 CD GLU A 132 9.884 3.270 -14.484 1.00 0.00 C ATOM 2036 OE1 GLU A 132 10.062 3.488 -13.310 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.617 3.690 -15.349 1.00 0.00 O ATOM 0 H GLU A 132 6.751 0.645 -11.891 1.00 0.00 H new ATOM 0 HA GLU A 132 6.167 1.332 -14.507 1.00 0.00 H new ATOM 0 HB2 GLU A 132 7.709 2.556 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 132 8.831 1.210 -13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.201 1.514 -15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.058 2.842 -15.498 1.00 0.00 H new ATOM 2044 N SER A 133 7.953 -1.406 -14.258 1.00 0.00 N ATOM 2045 CA SER A 133 8.571 -2.498 -15.002 1.00 0.00 C ATOM 2046 C SER A 133 7.512 -3.379 -15.655 1.00 0.00 C ATOM 2047 O SER A 133 7.832 -4.300 -16.407 1.00 0.00 O ATOM 2048 CB SER A 133 9.455 -3.321 -14.086 1.00 0.00 C ATOM 2049 OG SER A 133 8.711 -4.033 -13.136 1.00 0.00 O ATOM 0 H SER A 133 7.958 -1.530 -13.246 1.00 0.00 H new ATOM 0 HA SER A 133 9.187 -2.069 -15.792 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.044 -4.019 -14.682 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.159 -2.664 -13.576 1.00 0.00 H new ATOM 0 HG SER A 133 8.106 -3.420 -12.668 1.00 0.00 H new ATOM 2055 N HIS A 134 6.248 -3.091 -15.363 1.00 0.00 N ATOM 2056 CA HIS A 134 5.142 -3.892 -15.877 1.00 0.00 C ATOM 2057 C HIS A 134 4.657 -3.351 -17.217 1.00 0.00 C ATOM 2058 O HIS A 134 3.753 -3.916 -17.835 1.00 0.00 O ATOM 2059 CB HIS A 134 3.985 -3.928 -14.873 1.00 0.00 C ATOM 2060 CG HIS A 134 4.336 -4.580 -13.572 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.513 -4.526 -12.467 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.420 -5.301 -13.200 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.077 -5.187 -11.470 1.00 0.00 C ATOM 2064 NE2 HIS A 134 5.233 -5.666 -11.890 1.00 0.00 N ATOM 0 H HIS A 134 5.964 -2.309 -14.773 1.00 0.00 H new ATOM 0 HA HIS A 134 5.506 -4.909 -16.025 1.00 0.00 H new ATOM 0 HB2 HIS A 134 3.652 -2.908 -14.680 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.144 -4.459 -15.320 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.272 -5.543 -13.818 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.662 -5.313 -10.481 1.00 0.00 H new ATOM 0 HE2 HIS A 134 5.883 -6.219 -11.331 1.00 0.00 H new ATOM 2071 N LEU A 135 5.261 -2.254 -17.662 1.00 0.00 N ATOM 2072 CA LEU A 135 4.948 -1.684 -18.967 1.00 0.00 C ATOM 2073 C LEU A 135 6.120 -0.866 -19.500 1.00 0.00 C ATOM 2074 O LEU A 135 6.549 0.102 -18.873 1.00 0.00 O ATOM 2075 CB LEU A 135 3.685 -0.817 -18.880 1.00 0.00 C ATOM 2076 CG LEU A 135 3.277 -0.125 -20.186 1.00 0.00 C ATOM 2077 CD1 LEU A 135 2.877 -1.164 -21.225 1.00 0.00 C ATOM 2078 CD2 LEU A 135 2.129 0.837 -19.916 1.00 0.00 C ATOM 0 H LEU A 135 5.970 -1.742 -17.138 1.00 0.00 H new ATOM 0 HA LEU A 135 4.764 -2.503 -19.662 1.00 0.00 H new ATOM 0 HB2 LEU A 135 2.857 -1.442 -18.545 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.839 -0.055 -18.116 1.00 0.00 H new ATOM 0 HG LEU A 135 4.123 0.440 -20.577 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.589 -0.662 -22.149 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.720 -1.827 -21.420 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.035 -1.747 -20.851 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.840 1.328 -20.845 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.278 0.285 -19.517 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.446 1.588 -19.192 1.00 0.00 H new ATOM 2090 N GLU A 136 6.632 -1.262 -20.661 1.00 0.00 N ATOM 2091 CA GLU A 136 7.710 -0.526 -21.310 1.00 0.00 C ATOM 2092 C GLU A 136 7.157 0.629 -22.140 1.00 0.00 C ATOM 2093 O GLU A 136 6.069 0.532 -22.711 1.00 0.00 O ATOM 2094 CB GLU A 136 8.543 -1.459 -22.192 1.00 0.00 C ATOM 2095 CG GLU A 136 9.254 -2.571 -21.434 1.00 0.00 C ATOM 2096 CD GLU A 136 10.080 -3.421 -22.359 1.00 0.00 C ATOM 2097 OE1 GLU A 136 10.054 -3.177 -23.541 1.00 0.00 O ATOM 2098 OE2 GLU A 136 10.823 -4.242 -21.873 1.00 0.00 O ATOM 0 H GLU A 136 6.318 -2.088 -21.171 1.00 0.00 H new ATOM 0 HA GLU A 136 8.353 -0.114 -20.532 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.892 -1.906 -22.943 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.286 -0.867 -22.726 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.894 -2.138 -20.665 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.519 -3.194 -20.923 1.00 0.00 H new ATOM 2105 N HIS A 137 7.912 1.722 -22.202 1.00 0.00 N ATOM 2106 CA HIS A 137 7.494 2.897 -22.956 1.00 0.00 C ATOM 2107 C HIS A 137 8.560 3.300 -23.969 1.00 0.00 C ATOM 2108 O HIS A 137 8.284 3.420 -25.163 1.00 0.00 O ATOM 2109 CB HIS A 137 7.195 4.068 -22.014 1.00 0.00 C ATOM 2110 CG HIS A 137 6.702 5.295 -22.718 1.00 0.00 C ATOM 2111 ND1 HIS A 137 5.448 5.375 -23.283 1.00 0.00 N ATOM 2112 CD2 HIS A 137 7.296 6.490 -22.947 1.00 0.00 C ATOM 2113 CE1 HIS A 137 5.290 6.568 -23.830 1.00 0.00 C ATOM 2114 NE2 HIS A 137 6.397 7.262 -23.640 1.00 0.00 N ATOM 0 H HIS A 137 8.816 1.817 -21.739 1.00 0.00 H new ATOM 0 HA HIS A 137 6.582 2.641 -23.495 1.00 0.00 H new ATOM 0 HB2 HIS A 137 6.449 3.754 -21.284 1.00 0.00 H new ATOM 0 HB3 HIS A 137 8.100 4.317 -21.459 1.00 0.00 H new ATOM 0 HD2 HIS A 137 8.290 6.781 -22.642 1.00 0.00 H new ATOM 0 HE1 HIS A 137 4.406 6.916 -24.344 1.00 0.00 H new ATOM 0 HE2 HIS A 137 6.558 8.218 -23.957 1.00 0.00 H new ATOM 2121 N HIS A 138 9.781 3.510 -23.486 1.00 0.00 N ATOM 2122 CA HIS A 138 10.883 3.927 -24.346 1.00 0.00 C ATOM 2123 C HIS A 138 12.227 3.644 -23.682 1.00 0.00 C ATOM 2124 O HIS A 138 12.250 3.116 -22.571 1.00 0.00 O ATOM 2125 CB HIS A 138 10.770 5.414 -24.692 1.00 0.00 C ATOM 2126 CG HIS A 138 11.835 5.897 -25.627 1.00 0.00 C ATOM 2127 ND1 HIS A 138 11.857 5.565 -26.966 1.00 0.00 N ATOM 2128 CD2 HIS A 138 12.916 6.686 -25.417 1.00 0.00 C ATOM 2129 CE1 HIS A 138 12.906 6.130 -27.539 1.00 0.00 C ATOM 2130 NE2 HIS A 138 13.563 6.814 -26.621 1.00 0.00 N ATOM 0 H HIS A 138 10.032 3.398 -22.504 1.00 0.00 H new ATOM 0 HA HIS A 138 10.823 3.350 -25.269 1.00 0.00 H new ATOM 0 HB2 HIS A 138 9.794 5.601 -25.140 1.00 0.00 H new ATOM 0 HB3 HIS A 138 10.815 5.997 -23.772 1.00 0.00 H new ATOM 0 HD2 HIS A 138 13.213 7.131 -24.479 1.00 0.00 H new ATOM 0 HE1 HIS A 138 13.179 6.046 -28.581 1.00 0.00 H new ATOM 0 HE2 HIS A 138 14.415 7.352 -26.781 1.00 0.00 H new TER 2137 HIS A 138