USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 -71:sc= 1.24 USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.0137 X(o=1.2,f=0.99) USER MOD Set 2.1: A 121 GLN : amide:sc= 0.815 K(o=1.5,f=-0.13) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.714 K(o=1.5,f=-1.5!) USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0.448 USER MOD Set 3.2: A 104 SER OG : rot 89:sc= 0.474 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.473 USER MOD Set 4.2: A 100 THR OG1 : rot -66:sc= 0.514 USER MOD Set 5.1: A 21 THR OG1 : rot 91:sc= 2.27 USER MOD Set 5.2: A 70 TYR OH : rot -36:sc= 0.315 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.48 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.152) USER MOD Single : A 2 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.22) USER MOD Single : A 7 THR OG1 : rot -100:sc= -0.1 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0.978 (180deg=0.913) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0776 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 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 161:sc= 0.88 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.865) USER MOD Single : A 81 TYR OH : rot 162:sc= -1.65! 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= -0.0806 X(o=-0.081,f=-0.11) 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= -0.0494 X(o=-0.049,f=-0.2) USER MOD Single : A 116 GLN : amide:sc= -0.766 K(o=-0.77,f=-1.7!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 118 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.23) USER MOD Single : A 126 ASN : amide:sc= -0.006 K(o=-0.006,f=-1.3!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.761 13.923 13.379 1.00 0.00 N ATOM 2 CA MET A 1 -0.996 14.185 12.166 1.00 0.00 C ATOM 3 C MET A 1 -1.373 13.204 11.061 1.00 0.00 C ATOM 4 O MET A 1 -1.276 11.991 11.238 1.00 0.00 O ATOM 5 CB MET A 1 0.501 14.106 12.458 1.00 0.00 C ATOM 6 CG MET A 1 1.011 15.167 13.424 1.00 0.00 C ATOM 7 SD MET A 1 0.805 16.843 12.789 1.00 0.00 S ATOM 8 CE MET A 1 1.991 16.845 11.448 1.00 0.00 C ATOM 0 H1 MET A 1 -1.615 14.699 14.056 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.772 13.854 13.144 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.443 13.029 13.804 1.00 0.00 H new ATOM 0 HA MET A 1 -1.236 15.191 11.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.727 13.121 12.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.047 14.195 11.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.481 15.074 14.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.066 14.988 13.630 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.956 17.805 10.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.992 16.684 11.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.748 16.048 10.746 1.00 0.00 H new ATOM 20 N ASN A 2 -1.805 13.737 9.923 1.00 0.00 N ATOM 21 CA ASN A 2 -2.053 12.919 8.742 1.00 0.00 C ATOM 22 C ASN A 2 -0.903 13.039 7.746 1.00 0.00 C ATOM 23 O ASN A 2 -0.514 14.143 7.361 1.00 0.00 O ATOM 24 CB ASN A 2 -3.367 13.286 8.077 1.00 0.00 C ATOM 25 CG ASN A 2 -4.572 13.034 8.939 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.884 11.889 9.286 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.298 14.087 9.217 1.00 0.00 N ATOM 0 H ASN A 2 -1.991 14.732 9.794 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.121 11.882 9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.342 14.340 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.467 12.717 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.166 13.984 9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.996 15.011 8.907 1.00 0.00 H new ATOM 34 N ILE A 3 -0.365 11.897 7.333 1.00 0.00 N ATOM 35 CA ILE A 3 0.721 11.874 6.360 1.00 0.00 C ATOM 36 C ILE A 3 0.239 11.349 5.012 1.00 0.00 C ATOM 37 O ILE A 3 -0.368 10.281 4.929 1.00 0.00 O ATOM 38 CB ILE A 3 1.897 11.008 6.849 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.375 11.482 8.223 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.038 11.045 5.843 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.882 12.906 8.235 1.00 0.00 C ATOM 0 H ILE A 3 -0.662 10.976 7.656 1.00 0.00 H new ATOM 0 HA ILE A 3 1.064 12.902 6.244 1.00 0.00 H new ATOM 0 HB ILE A 3 1.554 9.978 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.553 11.393 8.934 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.169 10.821 8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.861 10.428 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.690 10.661 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.381 12.072 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.203 13.170 9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.725 12.998 7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.084 13.579 7.921 1.00 0.00 H new ATOM 53 N THR A 4 0.515 12.108 3.955 1.00 0.00 N ATOM 54 CA THR A 4 0.047 11.758 2.620 1.00 0.00 C ATOM 55 C THR A 4 1.215 11.578 1.658 1.00 0.00 C ATOM 56 O THR A 4 2.162 12.366 1.661 1.00 0.00 O ATOM 57 CB THR A 4 -0.909 12.826 2.059 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.026 12.982 2.943 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.411 12.422 0.681 1.00 0.00 C ATOM 0 H THR A 4 1.060 12.969 3.998 1.00 0.00 H new ATOM 0 HA THR A 4 -0.492 10.815 2.712 1.00 0.00 H new ATOM 0 HB THR A 4 -0.368 13.768 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.633 13.663 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.086 13.189 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.565 12.314 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.943 11.473 0.751 1.00 0.00 H new ATOM 67 N VAL A 5 1.142 10.538 0.832 1.00 0.00 N ATOM 68 CA VAL A 5 2.132 10.324 -0.217 1.00 0.00 C ATOM 69 C VAL A 5 1.459 10.076 -1.563 1.00 0.00 C ATOM 70 O VAL A 5 0.313 9.634 -1.623 1.00 0.00 O ATOM 71 CB VAL A 5 3.056 9.136 0.111 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.869 9.425 1.364 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.244 7.862 0.288 1.00 0.00 C ATOM 0 H VAL A 5 0.408 9.831 0.869 1.00 0.00 H new ATOM 0 HA VAL A 5 2.732 11.232 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 5 3.743 8.994 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.516 8.576 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.479 10.315 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.195 9.592 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.913 7.033 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.534 7.994 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.702 7.645 -0.633 1.00 0.00 H new ATOM 83 N GLU A 6 2.183 10.363 -2.641 1.00 0.00 N ATOM 84 CA GLU A 6 1.619 10.276 -3.983 1.00 0.00 C ATOM 85 C GLU A 6 2.683 9.855 -4.992 1.00 0.00 C ATOM 86 O GLU A 6 3.833 10.286 -4.917 1.00 0.00 O ATOM 87 CB GLU A 6 0.999 11.613 -4.394 1.00 0.00 C ATOM 88 CG GLU A 6 0.287 11.590 -5.739 1.00 0.00 C ATOM 89 CD GLU A 6 -0.262 12.945 -6.090 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.922 13.529 -5.265 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.070 13.445 -7.139 1.00 0.00 O ATOM 0 H GLU A 6 3.159 10.657 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 6 0.836 9.518 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.289 11.922 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.784 12.369 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.980 11.264 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.524 10.863 -5.711 1.00 0.00 H new ATOM 98 N THR A 7 2.288 9.008 -5.939 1.00 0.00 N ATOM 99 CA THR A 7 3.188 8.579 -7.002 1.00 0.00 C ATOM 100 C THR A 7 2.426 8.321 -8.298 1.00 0.00 C ATOM 101 O THR A 7 1.330 7.759 -8.284 1.00 0.00 O ATOM 102 CB THR A 7 3.961 7.306 -6.610 1.00 0.00 C ATOM 103 OG1 THR A 7 4.998 7.059 -7.568 1.00 0.00 O ATOM 104 CG2 THR A 7 3.025 6.108 -6.561 1.00 0.00 C ATOM 0 H THR A 7 1.352 8.607 -5.991 1.00 0.00 H new ATOM 0 HA THR A 7 3.899 9.390 -7.157 1.00 0.00 H new ATOM 0 HB THR A 7 4.398 7.454 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.704 6.369 -8.198 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.588 5.217 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.242 6.288 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.573 5.959 -7.542 1.00 0.00 H new ATOM 112 N THR A 8 3.012 8.735 -9.417 1.00 0.00 N ATOM 113 CA THR A 8 2.416 8.496 -10.725 1.00 0.00 C ATOM 114 C THR A 8 3.199 7.443 -11.503 1.00 0.00 C ATOM 115 O THR A 8 4.414 7.551 -11.659 1.00 0.00 O ATOM 116 CB THR A 8 2.347 9.790 -11.559 1.00 0.00 C ATOM 117 OG1 THR A 8 1.517 10.748 -10.890 1.00 0.00 O ATOM 118 CG2 THR A 8 1.774 9.504 -12.939 1.00 0.00 C ATOM 0 H THR A 8 3.899 9.238 -9.443 1.00 0.00 H new ATOM 0 HA THR A 8 1.403 8.134 -10.548 1.00 0.00 H new ATOM 0 HB THR A 8 3.356 10.188 -11.671 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.475 11.571 -11.420 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.732 10.429 -13.514 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.409 8.784 -13.455 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.769 9.094 -12.838 1.00 0.00 H new ATOM 126 N VAL A 9 2.492 6.427 -11.987 1.00 0.00 N ATOM 127 CA VAL A 9 3.134 5.294 -12.642 1.00 0.00 C ATOM 128 C VAL A 9 2.718 5.196 -14.105 1.00 0.00 C ATOM 129 O VAL A 9 1.575 5.490 -14.456 1.00 0.00 O ATOM 130 CB VAL A 9 2.802 3.969 -11.932 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.332 3.980 -10.506 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.300 3.723 -11.938 1.00 0.00 C ATOM 0 H VAL A 9 1.475 6.365 -11.938 1.00 0.00 H new ATOM 0 HA VAL A 9 4.209 5.465 -12.585 1.00 0.00 H new ATOM 0 HB VAL A 9 3.288 3.158 -12.474 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.088 3.035 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.414 4.112 -10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.874 4.801 -9.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.083 2.782 -11.432 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.796 4.538 -11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.944 3.672 -12.967 1.00 0.00 H new ATOM 142 N ALA A 10 3.650 4.778 -14.955 1.00 0.00 N ATOM 143 CA ALA A 10 3.363 4.585 -16.371 1.00 0.00 C ATOM 144 C ALA A 10 2.847 3.175 -16.638 1.00 0.00 C ATOM 145 O ALA A 10 3.576 2.322 -17.141 1.00 0.00 O ATOM 146 CB ALA A 10 4.605 4.860 -17.203 1.00 0.00 C ATOM 0 H ALA A 10 4.611 4.566 -14.687 1.00 0.00 H new ATOM 0 HA ALA A 10 2.583 5.290 -16.658 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.376 4.712 -18.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.930 5.888 -17.043 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.401 4.177 -16.905 1.00 0.00 H new ATOM 152 N ALA A 11 1.583 2.937 -16.297 1.00 0.00 N ATOM 153 CA ALA A 11 0.971 1.630 -16.498 1.00 0.00 C ATOM 154 C ALA A 11 -0.544 1.747 -16.622 1.00 0.00 C ATOM 155 O ALA A 11 -1.148 2.748 -16.233 1.00 0.00 O ATOM 156 CB ALA A 11 1.338 0.694 -15.356 1.00 0.00 C ATOM 0 H ALA A 11 0.964 3.633 -15.881 1.00 0.00 H new ATOM 0 HA ALA A 11 1.355 1.216 -17.430 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.874 -0.279 -15.519 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.421 0.577 -15.315 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.982 1.112 -14.414 1.00 0.00 H new ATOM 162 N PRO A 12 -1.175 0.702 -17.176 1.00 0.00 N ATOM 163 CA PRO A 12 -2.632 0.652 -17.337 1.00 0.00 C ATOM 164 C PRO A 12 -3.357 0.467 -16.008 1.00 0.00 C ATOM 165 O PRO A 12 -2.845 -0.180 -15.095 1.00 0.00 O ATOM 166 CB PRO A 12 -2.859 -0.535 -18.278 1.00 0.00 C ATOM 167 CG PRO A 12 -1.705 -1.442 -18.016 1.00 0.00 C ATOM 168 CD PRO A 12 -0.536 -0.533 -17.746 1.00 0.00 C ATOM 0 HA PRO A 12 -3.032 1.585 -17.734 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.808 -1.030 -18.072 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.885 -0.217 -19.320 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.902 -2.092 -17.164 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.511 -2.088 -18.872 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.167 -0.981 -17.044 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.020 -0.313 -18.657 1.00 0.00 H new ATOM 176 N VAL A 13 -4.552 1.040 -15.907 1.00 0.00 N ATOM 177 CA VAL A 13 -5.272 1.087 -14.640 1.00 0.00 C ATOM 178 C VAL A 13 -5.573 -0.317 -14.126 1.00 0.00 C ATOM 179 O VAL A 13 -5.670 -0.540 -12.921 1.00 0.00 O ATOM 180 CB VAL A 13 -6.591 1.871 -14.767 1.00 0.00 C ATOM 181 CG1 VAL A 13 -6.315 3.329 -15.104 1.00 0.00 C ATOM 182 CG2 VAL A 13 -7.484 1.242 -15.825 1.00 0.00 C ATOM 0 H VAL A 13 -5.042 1.478 -16.687 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.624 1.600 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.109 1.830 -13.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.259 3.868 -15.190 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.712 3.777 -14.314 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.776 3.388 -16.050 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.412 1.809 -15.902 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.972 1.253 -16.787 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.709 0.213 -15.546 1.00 0.00 H new ATOM 192 N GLY A 14 -5.718 -1.261 -15.051 1.00 0.00 N ATOM 193 CA GLY A 14 -5.962 -2.640 -14.671 1.00 0.00 C ATOM 194 C GLY A 14 -4.825 -3.228 -13.861 1.00 0.00 C ATOM 195 O GLY A 14 -5.051 -3.896 -12.852 1.00 0.00 O ATOM 0 H GLY A 14 -5.671 -1.095 -16.056 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.884 -2.696 -14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.113 -3.240 -15.569 1.00 0.00 H new ATOM 199 N LYS A 15 -3.596 -2.982 -14.304 1.00 0.00 N ATOM 200 CA LYS A 15 -2.417 -3.476 -13.603 1.00 0.00 C ATOM 201 C LYS A 15 -2.180 -2.690 -12.317 1.00 0.00 C ATOM 202 O LYS A 15 -1.798 -3.256 -11.293 1.00 0.00 O ATOM 203 CB LYS A 15 -1.184 -3.397 -14.505 1.00 0.00 C ATOM 204 CG LYS A 15 -1.200 -4.369 -15.678 1.00 0.00 C ATOM 205 CD LYS A 15 0.135 -4.377 -16.408 1.00 0.00 C ATOM 206 CE LYS A 15 0.052 -5.164 -17.707 1.00 0.00 C ATOM 207 NZ LYS A 15 1.397 -5.409 -18.296 1.00 0.00 N ATOM 0 H LYS A 15 -3.391 -2.443 -15.146 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.593 -4.519 -13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.096 -2.382 -14.891 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.295 -3.587 -13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.426 -5.373 -15.318 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.994 -4.092 -16.371 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.442 -3.353 -16.620 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.900 -4.812 -15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.442 -6.118 -17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.564 -4.619 -18.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.291 -5.795 -19.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.925 -4.514 -18.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.916 -6.089 -17.705 1.00 0.00 H new ATOM 221 N VAL A 16 -2.412 -1.382 -12.377 1.00 0.00 N ATOM 222 CA VAL A 16 -2.108 -0.499 -11.256 1.00 0.00 C ATOM 223 C VAL A 16 -3.061 -0.746 -10.090 1.00 0.00 C ATOM 224 O VAL A 16 -2.633 -0.888 -8.946 1.00 0.00 O ATOM 225 CB VAL A 16 -2.186 0.983 -11.666 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.014 1.882 -10.451 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.133 1.301 -12.716 1.00 0.00 C ATOM 0 H VAL A 16 -2.809 -0.910 -13.190 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.088 -0.725 -10.944 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.170 1.170 -12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.072 2.926 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.803 1.673 -9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.043 1.692 -9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.203 2.353 -12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.142 1.098 -12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.299 0.681 -13.597 1.00 0.00 H new ATOM 237 N TRP A 17 -4.354 -0.795 -10.391 1.00 0.00 N ATOM 238 CA TRP A 17 -5.374 -0.931 -9.356 1.00 0.00 C ATOM 239 C TRP A 17 -5.242 -2.267 -8.634 1.00 0.00 C ATOM 240 O TRP A 17 -5.395 -2.342 -7.415 1.00 0.00 O ATOM 241 CB TRP A 17 -6.772 -0.796 -9.963 1.00 0.00 C ATOM 242 CG TRP A 17 -7.055 0.567 -10.517 1.00 0.00 C ATOM 243 CD1 TRP A 17 -6.181 1.609 -10.604 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.296 1.036 -11.060 1.00 0.00 C ATOM 245 NE1 TRP A 17 -6.800 2.698 -11.167 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.100 2.370 -11.458 1.00 0.00 C ATOM 247 CE3 TRP A 17 -9.555 0.452 -11.250 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.108 3.132 -12.028 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -10.564 1.216 -11.823 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.347 2.516 -12.202 1.00 0.00 C ATOM 0 H TRP A 17 -4.721 -0.743 -11.341 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.227 -0.132 -8.629 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.887 -1.533 -10.758 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.515 -1.031 -9.200 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.152 1.582 -10.278 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.364 3.604 -11.341 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.738 -0.571 -10.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.941 4.157 -12.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.539 0.777 -11.973 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -11.156 3.077 -12.646 1.00 0.00 H new ATOM 261 N ARG A 18 -4.957 -3.320 -9.394 1.00 0.00 N ATOM 262 CA ARG A 18 -4.823 -4.656 -8.827 1.00 0.00 C ATOM 263 C ARG A 18 -3.629 -4.729 -7.881 1.00 0.00 C ATOM 264 O ARG A 18 -3.628 -5.507 -6.927 1.00 0.00 O ATOM 265 CB ARG A 18 -4.754 -5.732 -9.902 1.00 0.00 C ATOM 266 CG ARG A 18 -6.070 -6.017 -10.608 1.00 0.00 C ATOM 267 CD ARG A 18 -5.980 -7.041 -11.680 1.00 0.00 C ATOM 268 NE ARG A 18 -7.244 -7.342 -12.333 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.389 -8.200 -13.361 1.00 0.00 C ATOM 270 NH1 ARG A 18 -6.349 -8.815 -13.881 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.602 -8.390 -13.850 1.00 0.00 N ATOM 0 H ARG A 18 -4.815 -3.273 -10.403 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.724 -4.854 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.016 -5.434 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.394 -6.656 -9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.801 -6.345 -9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.446 -5.089 -11.039 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.269 -6.700 -12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.577 -7.960 -11.254 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.080 -6.870 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.416 -8.645 -13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.476 -9.462 -14.659 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.397 -7.893 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.743 -9.034 -14.629 1.00 0.00 H new ATOM 285 N ALA A 19 -2.615 -3.915 -8.153 1.00 0.00 N ATOM 286 CA ALA A 19 -1.358 -3.991 -7.419 1.00 0.00 C ATOM 287 C ALA A 19 -1.500 -3.392 -6.023 1.00 0.00 C ATOM 288 O ALA A 19 -0.593 -3.496 -5.199 1.00 0.00 O ATOM 289 CB ALA A 19 -0.254 -3.282 -8.190 1.00 0.00 C ATOM 0 H ALA A 19 -2.639 -3.196 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.092 -5.042 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.679 -3.346 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.127 -3.756 -9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.522 -2.235 -8.329 1.00 0.00 H new ATOM 295 N TYR A 20 -2.642 -2.764 -5.768 1.00 0.00 N ATOM 296 CA TYR A 20 -2.836 -2.000 -4.542 1.00 0.00 C ATOM 297 C TYR A 20 -2.491 -2.840 -3.316 1.00 0.00 C ATOM 298 O TYR A 20 -1.990 -2.324 -2.315 1.00 0.00 O ATOM 299 CB TYR A 20 -4.278 -1.496 -4.446 1.00 0.00 C ATOM 300 CG TYR A 20 -5.234 -2.487 -3.819 1.00 0.00 C ATOM 301 CD1 TYR A 20 -5.769 -3.527 -4.564 1.00 0.00 C ATOM 302 CD2 TYR A 20 -5.598 -2.377 -2.485 1.00 0.00 C ATOM 303 CE1 TYR A 20 -6.643 -4.435 -3.996 1.00 0.00 C ATOM 304 CE2 TYR A 20 -6.471 -3.280 -1.907 1.00 0.00 C ATOM 305 CZ TYR A 20 -6.991 -4.307 -2.667 1.00 0.00 C ATOM 306 OH TYR A 20 -7.861 -5.209 -2.097 1.00 0.00 O ATOM 0 H TYR A 20 -3.447 -2.769 -6.394 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.165 -1.142 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.292 -0.574 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.633 -1.247 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.499 -3.629 -5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.193 -1.573 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.051 -5.240 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.744 -3.182 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.001 -4.978 -1.155 1.00 0.00 H new ATOM 316 N THR A 21 -2.761 -4.138 -3.401 1.00 0.00 N ATOM 317 CA THR A 21 -2.329 -5.078 -2.374 1.00 0.00 C ATOM 318 C THR A 21 -1.952 -6.423 -2.983 1.00 0.00 C ATOM 319 O THR A 21 -2.697 -7.397 -2.875 1.00 0.00 O ATOM 320 CB THR A 21 -3.423 -5.295 -1.311 1.00 0.00 C ATOM 321 OG1 THR A 21 -3.800 -4.033 -0.745 1.00 0.00 O ATOM 322 CG2 THR A 21 -2.919 -6.211 -0.207 1.00 0.00 C ATOM 0 H THR A 21 -3.277 -4.563 -4.171 1.00 0.00 H new ATOM 0 HA THR A 21 -1.453 -4.641 -1.896 1.00 0.00 H new ATOM 0 HB THR A 21 -4.286 -5.759 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.547 -3.656 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.705 -6.353 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.643 -7.176 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.047 -5.762 0.269 1.00 0.00 H new ATOM 330 N THR A 22 -0.787 -6.472 -3.623 1.00 0.00 N ATOM 331 CA THR A 22 -0.214 -7.735 -4.072 1.00 0.00 C ATOM 332 C THR A 22 0.931 -8.171 -3.166 1.00 0.00 C ATOM 333 O THR A 22 1.863 -7.412 -2.895 1.00 0.00 O ATOM 334 CB THR A 22 0.299 -7.639 -5.521 1.00 0.00 C ATOM 335 OG1 THR A 22 -0.791 -7.325 -6.397 1.00 0.00 O ATOM 336 CG2 THR A 22 0.928 -8.955 -5.952 1.00 0.00 C ATOM 0 H THR A 22 -0.222 -5.651 -3.842 1.00 0.00 H new ATOM 0 HA THR A 22 -1.012 -8.476 -4.028 1.00 0.00 H new ATOM 0 HB THR A 22 1.053 -6.854 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.463 -7.263 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.285 -8.869 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.765 -9.190 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.185 -9.750 -5.892 1.00 0.00 H new ATOM 344 N PRO A 23 0.864 -9.421 -2.685 1.00 0.00 N ATOM 345 CA PRO A 23 1.864 -9.971 -1.767 1.00 0.00 C ATOM 346 C PRO A 23 3.247 -10.061 -2.402 1.00 0.00 C ATOM 347 O PRO A 23 4.260 -9.855 -1.735 1.00 0.00 O ATOM 348 CB PRO A 23 1.327 -11.371 -1.456 1.00 0.00 C ATOM 349 CG PRO A 23 0.372 -11.664 -2.560 1.00 0.00 C ATOM 350 CD PRO A 23 -0.250 -10.347 -2.930 1.00 0.00 C ATOM 0 HA PRO A 23 1.996 -9.344 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.132 -12.105 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.831 -11.398 -0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.886 -12.106 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.387 -12.378 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.580 -10.326 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.119 -10.116 -2.314 1.00 0.00 H new ATOM 358 N GLU A 24 3.281 -10.368 -3.695 1.00 0.00 N ATOM 359 CA GLU A 24 4.534 -10.405 -4.439 1.00 0.00 C ATOM 360 C GLU A 24 5.182 -9.024 -4.482 1.00 0.00 C ATOM 361 O GLU A 24 6.406 -8.899 -4.450 1.00 0.00 O ATOM 362 CB GLU A 24 4.302 -10.924 -5.859 1.00 0.00 C ATOM 363 CG GLU A 24 3.950 -12.403 -5.939 1.00 0.00 C ATOM 364 CD GLU A 24 3.645 -12.817 -7.351 1.00 0.00 C ATOM 365 OE1 GLU A 24 3.642 -11.969 -8.211 1.00 0.00 O ATOM 366 OE2 GLU A 24 3.525 -13.995 -7.592 1.00 0.00 O ATOM 0 H GLU A 24 2.455 -10.595 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 24 5.211 -11.087 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.499 -10.347 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.200 -10.744 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.779 -12.997 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.089 -12.609 -5.304 1.00 0.00 H new ATOM 373 N ASP A 25 4.351 -7.989 -4.555 1.00 0.00 N ATOM 374 CA ASP A 25 4.832 -6.615 -4.471 1.00 0.00 C ATOM 375 C ASP A 25 5.278 -6.282 -3.050 1.00 0.00 C ATOM 376 O ASP A 25 6.269 -5.578 -2.850 1.00 0.00 O ATOM 377 CB ASP A 25 3.747 -5.637 -4.927 1.00 0.00 C ATOM 378 CG ASP A 25 3.464 -5.664 -6.423 1.00 0.00 C ATOM 379 OD1 ASP A 25 4.211 -6.290 -7.138 1.00 0.00 O ATOM 380 OD2 ASP A 25 2.424 -5.194 -6.819 1.00 0.00 O ATOM 0 H ASP A 25 3.341 -8.076 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 25 5.692 -6.517 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.825 -5.861 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.043 -4.627 -4.644 1.00 0.00 H new ATOM 385 N ILE A 26 4.541 -6.789 -2.069 1.00 0.00 N ATOM 386 CA ILE A 26 4.870 -6.558 -0.668 1.00 0.00 C ATOM 387 C ILE A 26 6.215 -7.178 -0.310 1.00 0.00 C ATOM 388 O ILE A 26 6.932 -6.677 0.557 1.00 0.00 O ATOM 389 CB ILE A 26 3.787 -7.124 0.268 1.00 0.00 C ATOM 390 CG1 ILE A 26 2.494 -6.313 0.140 1.00 0.00 C ATOM 391 CG2 ILE A 26 4.277 -7.126 1.708 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.299 -6.962 0.800 1.00 0.00 C ATOM 0 H ILE A 26 3.711 -7.363 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 26 4.924 -5.478 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 26 3.578 -8.153 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.649 -5.328 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.275 -6.160 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.499 -7.529 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.172 -7.744 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.512 -6.106 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.422 -6.329 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.116 -7.936 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.496 -7.090 1.864 1.00 0.00 H new ATOM 604 N ALA A 40 5.760 -12.737 3.506 1.00 0.00 N ATOM 605 CA ALA A 40 4.567 -13.329 2.914 1.00 0.00 C ATOM 606 C ALA A 40 3.316 -12.546 3.302 1.00 0.00 C ATOM 607 O ALA A 40 3.211 -12.039 4.418 1.00 0.00 O ATOM 608 CB ALA A 40 4.433 -14.784 3.340 1.00 0.00 C ATOM 0 HA ALA A 40 4.670 -13.287 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.538 -15.214 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.309 -15.342 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.356 -14.840 4.426 1.00 0.00 H new ATOM 614 N ALA A 41 2.372 -12.450 2.372 1.00 0.00 N ATOM 615 CA ALA A 41 1.161 -11.670 2.591 1.00 0.00 C ATOM 616 C ALA A 41 -0.074 -12.427 2.111 1.00 0.00 C ATOM 617 O ALA A 41 -0.049 -13.077 1.064 1.00 0.00 O ATOM 618 CB ALA A 41 1.264 -10.325 1.888 1.00 0.00 C ATOM 0 H ALA A 41 2.423 -12.903 1.459 1.00 0.00 H new ATOM 0 HA ALA A 41 1.057 -11.500 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.352 -9.753 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.118 -9.773 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.396 -10.483 0.818 1.00 0.00 H new ATOM 624 N THR A 42 -1.154 -12.340 2.880 1.00 0.00 N ATOM 625 CA THR A 42 -2.433 -12.906 2.472 1.00 0.00 C ATOM 626 C THR A 42 -3.543 -11.864 2.542 1.00 0.00 C ATOM 627 O THR A 42 -3.701 -11.177 3.551 1.00 0.00 O ATOM 628 CB THR A 42 -2.821 -14.115 3.342 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.814 -15.130 3.232 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.160 -14.683 2.900 1.00 0.00 C ATOM 0 H THR A 42 -1.168 -11.882 3.791 1.00 0.00 H new ATOM 0 HA THR A 42 -2.314 -13.238 1.441 1.00 0.00 H new ATOM 0 HB THR A 42 -2.903 -13.786 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.062 -15.898 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.418 -15.537 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.930 -13.917 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.094 -15.003 1.860 1.00 0.00 H new ATOM 638 N VAL A 43 -4.311 -11.749 1.463 1.00 0.00 N ATOM 639 CA VAL A 43 -5.315 -10.698 1.348 1.00 0.00 C ATOM 640 C VAL A 43 -6.646 -11.261 0.861 1.00 0.00 C ATOM 641 O VAL A 43 -6.689 -12.056 -0.078 1.00 0.00 O ATOM 642 CB VAL A 43 -4.857 -9.582 0.389 1.00 0.00 C ATOM 643 CG1 VAL A 43 -4.659 -10.135 -1.014 1.00 0.00 C ATOM 644 CG2 VAL A 43 -5.867 -8.445 0.375 1.00 0.00 C ATOM 0 H VAL A 43 -4.257 -12.371 0.656 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.446 -10.276 2.344 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.903 -9.192 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.336 -9.334 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.900 -10.917 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.599 -10.551 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.528 -7.666 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.835 -8.822 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.963 -8.032 1.379 1.00 0.00 H new ATOM 654 N ASP A 44 -7.730 -10.842 1.505 1.00 0.00 N ATOM 655 CA ASP A 44 -9.069 -11.064 0.974 1.00 0.00 C ATOM 656 C ASP A 44 -9.548 -9.851 0.181 1.00 0.00 C ATOM 657 O ASP A 44 -9.852 -8.805 0.753 1.00 0.00 O ATOM 658 CB ASP A 44 -10.052 -11.379 2.103 1.00 0.00 C ATOM 659 CG ASP A 44 -11.459 -11.729 1.635 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.700 -11.674 0.453 1.00 0.00 O ATOM 661 OD2 ASP A 44 -12.230 -12.196 2.437 1.00 0.00 O ATOM 0 H ASP A 44 -7.707 -10.346 2.396 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.025 -11.920 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.660 -12.211 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.108 -10.519 2.770 1.00 0.00 H new ATOM 666 N LEU A 45 -9.609 -9.999 -1.138 1.00 0.00 N ATOM 667 CA LEU A 45 -9.850 -8.865 -2.023 1.00 0.00 C ATOM 668 C LEU A 45 -11.335 -8.517 -2.070 1.00 0.00 C ATOM 669 O LEU A 45 -12.047 -8.908 -2.993 1.00 0.00 O ATOM 670 CB LEU A 45 -9.328 -9.172 -3.433 1.00 0.00 C ATOM 671 CG LEU A 45 -7.822 -9.453 -3.524 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.447 -9.826 -4.952 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.047 -8.227 -3.066 1.00 0.00 C ATOM 0 H LEU A 45 -9.495 -10.892 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.312 -8.003 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.867 -10.036 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.564 -8.329 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.568 -10.291 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.376 -10.024 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.997 -10.718 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.699 -9.003 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.978 -8.427 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.297 -7.379 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.311 -7.994 -2.034 1.00 0.00 H new ATOM 685 N ARG A 46 -11.794 -7.774 -1.065 1.00 0.00 N ATOM 686 CA ARG A 46 -13.184 -7.338 -1.012 1.00 0.00 C ATOM 687 C ARG A 46 -13.366 -6.232 0.023 1.00 0.00 C ATOM 688 O ARG A 46 -12.541 -6.068 0.920 1.00 0.00 O ATOM 689 CB ARG A 46 -14.142 -8.495 -0.770 1.00 0.00 C ATOM 690 CG ARG A 46 -14.024 -9.148 0.598 1.00 0.00 C ATOM 691 CD ARG A 46 -14.945 -10.292 0.812 1.00 0.00 C ATOM 692 NE ARG A 46 -14.732 -11.014 2.057 1.00 0.00 N ATOM 693 CZ ARG A 46 -15.289 -10.682 3.237 1.00 0.00 C ATOM 694 NH1 ARG A 46 -16.062 -9.625 3.350 1.00 0.00 N ATOM 695 NH2 ARG A 46 -15.019 -11.438 4.289 1.00 0.00 N ATOM 0 H ARG A 46 -11.224 -7.463 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.434 -6.929 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.163 -8.135 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.973 -9.253 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.999 -9.492 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.214 -8.396 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.971 -9.925 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.838 -10.988 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.118 -11.828 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.249 -9.040 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.475 -9.389 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.404 -12.246 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.426 -11.213 5.197 1.00 0.00 H new ATOM 709 N GLU A 47 -14.452 -5.476 -0.112 1.00 0.00 N ATOM 710 CA GLU A 47 -14.896 -4.582 0.951 1.00 0.00 C ATOM 711 C GLU A 47 -15.281 -5.370 2.200 1.00 0.00 C ATOM 712 O GLU A 47 -16.117 -6.271 2.145 1.00 0.00 O ATOM 713 CB GLU A 47 -16.075 -3.731 0.479 1.00 0.00 C ATOM 714 CG GLU A 47 -16.536 -2.683 1.483 1.00 0.00 C ATOM 715 CD GLU A 47 -17.640 -1.833 0.917 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.989 -2.027 -0.222 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.210 -1.066 1.657 1.00 0.00 O ATOM 0 H GLU A 47 -15.039 -5.465 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.067 -3.921 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.798 -3.231 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.913 -4.389 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.882 -3.175 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.694 -2.050 1.764 1.00 0.00 H new ATOM 724 N GLY A 48 -14.661 -5.026 3.324 1.00 0.00 N ATOM 725 CA GLY A 48 -14.866 -5.782 4.546 1.00 0.00 C ATOM 726 C GLY A 48 -13.879 -6.924 4.692 1.00 0.00 C ATOM 727 O GLY A 48 -13.857 -7.606 5.715 1.00 0.00 O ATOM 0 H GLY A 48 -14.020 -4.237 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.774 -5.114 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.881 -6.179 4.558 1.00 0.00 H new ATOM 731 N GLY A 49 -13.061 -7.133 3.665 1.00 0.00 N ATOM 732 CA GLY A 49 -12.138 -8.253 3.667 1.00 0.00 C ATOM 733 C GLY A 49 -11.006 -8.070 4.658 1.00 0.00 C ATOM 734 O GLY A 49 -10.675 -6.945 5.029 1.00 0.00 O ATOM 0 H GLY A 49 -13.021 -6.547 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.681 -9.167 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.724 -8.380 2.667 1.00 0.00 H new ATOM 738 N ALA A 50 -10.414 -9.179 5.089 1.00 0.00 N ATOM 739 CA ALA A 50 -9.316 -9.135 6.048 1.00 0.00 C ATOM 740 C ALA A 50 -7.968 -9.248 5.344 1.00 0.00 C ATOM 741 O ALA A 50 -7.856 -9.880 4.293 1.00 0.00 O ATOM 742 CB ALA A 50 -9.472 -10.246 7.077 1.00 0.00 C ATOM 0 H ALA A 50 -10.676 -10.118 4.790 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.349 -8.173 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.646 -10.203 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.415 -10.120 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.466 -11.212 6.573 1.00 0.00 H new ATOM 748 N PHE A 51 -6.948 -8.630 5.928 1.00 0.00 N ATOM 749 CA PHE A 51 -5.589 -8.743 5.412 1.00 0.00 C ATOM 750 C PHE A 51 -4.609 -9.087 6.531 1.00 0.00 C ATOM 751 O PHE A 51 -4.744 -8.609 7.658 1.00 0.00 O ATOM 752 CB PHE A 51 -5.169 -7.444 4.722 1.00 0.00 C ATOM 753 CG PHE A 51 -3.730 -7.424 4.292 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.305 -8.172 3.205 1.00 0.00 C ATOM 755 CD2 PHE A 51 -2.798 -6.658 4.975 1.00 0.00 C ATOM 756 CE1 PHE A 51 -1.981 -8.154 2.808 1.00 0.00 C ATOM 757 CE2 PHE A 51 -1.473 -6.637 4.580 1.00 0.00 C ATOM 758 CZ PHE A 51 -1.066 -7.386 3.496 1.00 0.00 C ATOM 0 H PHE A 51 -7.036 -8.045 6.759 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.571 -9.550 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.802 -7.286 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.348 -6.609 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.017 -8.776 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.111 -6.071 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.664 -8.741 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.758 -6.035 5.120 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.031 -7.371 3.186 1.00 0.00 H new ATOM 768 N SER A 52 -3.621 -9.917 6.210 1.00 0.00 N ATOM 769 CA SER A 52 -2.587 -10.280 7.172 1.00 0.00 C ATOM 770 C SER A 52 -1.247 -10.491 6.474 1.00 0.00 C ATOM 771 O SER A 52 -1.148 -11.252 5.512 1.00 0.00 O ATOM 772 CB SER A 52 -2.993 -11.530 7.929 1.00 0.00 C ATOM 773 OG SER A 52 -2.005 -11.939 8.835 1.00 0.00 O ATOM 0 H SER A 52 -3.515 -10.350 5.293 1.00 0.00 H new ATOM 0 HA SER A 52 -2.474 -9.461 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.923 -11.343 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.191 -12.335 7.221 1.00 0.00 H new ATOM 0 HG SER A 52 -2.305 -12.746 9.304 1.00 0.00 H new ATOM 779 N SER A 53 -0.218 -9.807 6.966 1.00 0.00 N ATOM 780 CA SER A 53 1.125 -9.945 6.414 1.00 0.00 C ATOM 781 C SER A 53 2.086 -10.506 7.457 1.00 0.00 C ATOM 782 O SER A 53 2.185 -9.985 8.569 1.00 0.00 O ATOM 783 CB SER A 53 1.620 -8.608 5.900 1.00 0.00 C ATOM 784 OG SER A 53 2.939 -8.678 5.434 1.00 0.00 O ATOM 0 H SER A 53 -0.289 -9.152 7.745 1.00 0.00 H new ATOM 0 HA SER A 53 1.084 -10.647 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.969 -8.266 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.557 -7.868 6.697 1.00 0.00 H new ATOM 0 HG SER A 53 3.219 -7.796 5.110 1.00 0.00 H new ATOM 790 N ARG A 54 2.792 -11.570 7.091 1.00 0.00 N ATOM 791 CA ARG A 54 3.735 -12.212 8.000 1.00 0.00 C ATOM 792 C ARG A 54 5.174 -11.962 7.555 1.00 0.00 C ATOM 793 O ARG A 54 5.580 -12.378 6.470 1.00 0.00 O ATOM 794 CB ARG A 54 3.450 -13.696 8.171 1.00 0.00 C ATOM 795 CG ARG A 54 4.405 -14.428 9.102 1.00 0.00 C ATOM 796 CD ARG A 54 4.059 -15.853 9.338 1.00 0.00 C ATOM 797 NE ARG A 54 5.011 -16.575 10.166 1.00 0.00 N ATOM 798 CZ ARG A 54 4.896 -17.872 10.510 1.00 0.00 C ATOM 799 NH1 ARG A 54 3.856 -18.583 10.135 1.00 0.00 N ATOM 800 NH2 ARG A 54 5.846 -18.407 11.258 1.00 0.00 N ATOM 0 H ARG A 54 2.729 -12.006 6.171 1.00 0.00 H new ATOM 0 HA ARG A 54 3.602 -11.757 8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.435 -13.815 8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.484 -14.173 7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.411 -14.375 8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.429 -13.909 10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.077 -15.902 9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.977 -16.358 8.376 1.00 0.00 H new ATOM 0 HE ARG A 54 5.823 -16.063 10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.120 -18.154 9.574 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.785 -19.564 10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.639 -17.840 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.786 -19.387 11.534 1.00 0.00 H new ATOM 964 N PHE A 66 1.659 -8.119 10.882 1.00 0.00 N ATOM 965 CA PHE A 66 0.779 -7.027 10.480 1.00 0.00 C ATOM 966 C PHE A 66 -0.606 -7.551 10.115 1.00 0.00 C ATOM 967 O PHE A 66 -0.738 -8.491 9.333 1.00 0.00 O ATOM 968 CB PHE A 66 1.382 -6.258 9.304 1.00 0.00 C ATOM 969 CG PHE A 66 0.542 -5.100 8.843 1.00 0.00 C ATOM 970 CD1 PHE A 66 0.583 -3.886 9.511 1.00 0.00 C ATOM 971 CD2 PHE A 66 -0.291 -5.224 7.741 1.00 0.00 C ATOM 972 CE1 PHE A 66 -0.189 -2.820 9.088 1.00 0.00 C ATOM 973 CE2 PHE A 66 -1.063 -4.160 7.316 1.00 0.00 C ATOM 974 CZ PHE A 66 -1.012 -2.957 7.992 1.00 0.00 C ATOM 0 HA PHE A 66 0.676 -6.347 11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.367 -5.889 9.590 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.528 -6.944 8.470 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.225 -3.772 10.372 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.337 -6.163 7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.147 -1.879 9.617 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.706 -4.269 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.616 -2.125 7.662 1.00 0.00 H new ATOM 984 N ALA A 67 -1.634 -6.934 10.687 1.00 0.00 N ATOM 985 CA ALA A 67 -3.009 -7.354 10.441 1.00 0.00 C ATOM 986 C ALA A 67 -3.940 -6.150 10.330 1.00 0.00 C ATOM 987 O ALA A 67 -3.731 -5.130 10.985 1.00 0.00 O ATOM 988 CB ALA A 67 -3.482 -8.287 11.545 1.00 0.00 C ATOM 0 H ALA A 67 -1.542 -6.142 11.323 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.034 -7.889 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.510 -8.592 11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.841 -9.168 11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.434 -7.770 12.503 1.00 0.00 H new ATOM 994 N GLY A 68 -4.967 -6.277 9.496 1.00 0.00 N ATOM 995 CA GLY A 68 -5.954 -5.220 9.368 1.00 0.00 C ATOM 996 C GLY A 68 -7.169 -5.654 8.574 1.00 0.00 C ATOM 997 O GLY A 68 -7.224 -6.778 8.074 1.00 0.00 O ATOM 0 H GLY A 68 -5.134 -7.093 8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.269 -4.899 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.497 -4.357 8.884 1.00 0.00 H new ATOM 1001 N THR A 69 -8.148 -4.763 8.459 1.00 0.00 N ATOM 1002 CA THR A 69 -9.359 -5.051 7.700 1.00 0.00 C ATOM 1003 C THR A 69 -9.738 -3.878 6.805 1.00 0.00 C ATOM 1004 O THR A 69 -9.474 -2.721 7.133 1.00 0.00 O ATOM 1005 CB THR A 69 -10.543 -5.379 8.629 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.816 -4.254 9.476 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.225 -6.592 9.491 1.00 0.00 C ATOM 0 H THR A 69 -8.126 -3.835 8.882 1.00 0.00 H new ATOM 0 HA THR A 69 -9.143 -5.922 7.081 1.00 0.00 H new ATOM 0 HB THR A 69 -11.416 -5.601 8.015 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.571 -4.464 10.065 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.073 -6.809 10.141 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.029 -7.452 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.345 -6.385 10.100 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.361 -4.183 5.670 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.821 -3.149 4.749 1.00 0.00 C ATOM 1017 C TYR A 70 -12.214 -2.660 5.132 1.00 0.00 C ATOM 1018 O TYR A 70 -13.062 -3.439 5.570 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.831 -3.683 3.317 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.452 -3.968 2.767 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.681 -2.958 2.206 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -8.918 -5.251 2.811 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.422 -3.216 1.702 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.658 -5.517 2.311 1.00 0.00 C ATOM 1025 CZ TYR A 70 -6.914 -4.497 1.757 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.658 -4.757 1.258 1.00 0.00 O ATOM 0 H TYR A 70 -10.559 -5.137 5.367 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.131 -2.307 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.422 -4.598 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.328 -2.959 2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.074 -1.953 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.498 -6.053 3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.838 -2.419 1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.258 -6.519 2.354 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.502 -4.207 0.462 1.00 0.00 H new ATOM 1036 N THR A 71 -12.446 -1.361 4.964 1.00 0.00 N ATOM 1037 CA THR A 71 -13.713 -0.754 5.348 1.00 0.00 C ATOM 1038 C THR A 71 -14.509 -0.322 4.122 1.00 0.00 C ATOM 1039 O THR A 71 -15.739 -0.268 4.154 1.00 0.00 O ATOM 1040 CB THR A 71 -13.502 0.464 6.265 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.766 1.474 5.562 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.735 0.062 7.516 1.00 0.00 C ATOM 0 H THR A 71 -11.771 -0.709 4.564 1.00 0.00 H new ATOM 0 HA THR A 71 -14.273 -1.514 5.893 1.00 0.00 H new ATOM 0 HB THR A 71 -14.477 0.853 6.557 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.884 2.337 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.595 0.935 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.298 -0.697 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.762 -0.341 7.233 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.800 -0.016 3.040 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.438 0.457 1.816 1.00 0.00 C ATOM 1052 C LYS A 72 -13.610 0.081 0.592 1.00 0.00 C ATOM 1053 O LYS A 72 -12.396 0.293 0.562 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.645 1.973 1.869 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.443 2.539 0.702 1.00 0.00 C ATOM 1056 CD LYS A 72 -15.736 4.018 0.899 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.577 4.574 -0.241 1.00 0.00 C ATOM 1058 NZ LYS A 72 -16.947 5.998 -0.018 1.00 0.00 N ATOM 0 H LYS A 72 -12.784 -0.087 2.986 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.412 -0.026 1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.155 2.226 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.670 2.460 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.887 2.396 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.380 1.991 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.259 4.164 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.799 4.571 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.024 4.485 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.482 3.977 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.519 6.337 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.497 6.080 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.084 6.573 0.059 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.272 -0.475 -0.418 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.639 -0.711 -1.709 1.00 0.00 C ATOM 1074 C VAL A 73 -14.583 -0.363 -2.855 1.00 0.00 C ATOM 1075 O VAL A 73 -15.700 -0.874 -2.930 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.185 -2.176 -1.856 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.561 -2.406 -3.225 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.201 -2.541 -0.756 1.00 0.00 C ATOM 0 H VAL A 73 -15.247 -0.770 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.763 -0.064 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.061 -2.819 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.246 -3.446 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.293 -2.183 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.696 -1.754 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.891 -3.579 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.328 -1.892 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.678 -2.414 0.216 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.125 0.509 -3.747 1.00 0.00 N ATOM 1089 CA VAL A 74 -14.947 0.966 -4.861 1.00 0.00 C ATOM 1090 C VAL A 74 -14.206 0.821 -6.185 1.00 0.00 C ATOM 1091 O VAL A 74 -13.244 1.539 -6.452 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.377 2.434 -4.682 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.217 2.892 -5.864 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.148 2.609 -3.383 1.00 0.00 C ATOM 0 H VAL A 74 -13.189 0.913 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.837 0.337 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.480 3.051 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.512 3.931 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.634 2.804 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.108 2.269 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.444 3.652 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.038 1.979 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.516 2.321 -2.543 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.663 -0.114 -7.012 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.128 -0.268 -8.361 1.00 0.00 C ATOM 1106 C GLU A 75 -12.602 -0.251 -8.346 1.00 0.00 C ATOM 1107 O GLU A 75 -11.967 0.265 -9.265 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.660 0.834 -9.280 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.171 0.830 -9.457 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.616 1.927 -10.384 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.783 2.686 -10.817 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.768 1.939 -10.748 1.00 0.00 O ATOM 0 H GLU A 75 -15.401 -0.776 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.457 -1.233 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.356 1.802 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.191 0.732 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.490 -0.134 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.653 0.953 -8.487 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.020 -0.818 -7.293 1.00 0.00 N ATOM 1120 CA ASN A 76 -10.570 -0.841 -7.142 1.00 0.00 C ATOM 1121 C ASN A 76 -9.983 0.557 -7.314 1.00 0.00 C ATOM 1122 O ASN A 76 -8.871 0.719 -7.817 1.00 0.00 O ATOM 1123 CB ASN A 76 -9.925 -1.809 -8.117 1.00 0.00 C ATOM 1124 CG ASN A 76 -10.446 -3.214 -8.010 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -10.288 -3.880 -6.981 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -10.995 -3.697 -9.095 1.00 0.00 N ATOM 0 H ASN A 76 -12.531 -1.267 -6.533 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.352 -1.187 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.086 -1.448 -9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.848 -1.817 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.315 -4.665 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.103 -3.105 -9.919 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.738 1.566 -6.894 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.439 2.947 -7.252 1.00 0.00 C ATOM 1135 C LYS A 77 -10.496 3.852 -6.026 1.00 0.00 C ATOM 1136 O LYS A 77 -9.738 4.816 -5.917 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.410 3.446 -8.323 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.083 4.828 -8.873 1.00 0.00 C ATOM 1139 CD LYS A 77 -12.008 5.199 -10.023 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.779 6.632 -10.478 1.00 0.00 C ATOM 1141 NZ LYS A 77 -10.421 6.824 -11.056 1.00 0.00 N ATOM 0 H LYS A 77 -11.563 1.453 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.427 2.979 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.420 2.733 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.416 3.464 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.173 5.568 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.048 4.850 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.843 4.519 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.045 5.076 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.530 6.901 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.911 7.306 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.413 7.680 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.728 6.928 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.171 5.999 -11.638 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.400 3.534 -5.104 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.411 4.175 -3.793 1.00 0.00 C ATOM 1157 C ARG A 78 -11.437 3.133 -2.680 1.00 0.00 C ATOM 1158 O ARG A 78 -12.427 2.421 -2.506 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.549 5.176 -3.651 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.508 6.336 -4.633 1.00 0.00 C ATOM 1161 CD ARG A 78 -11.469 7.355 -4.335 1.00 0.00 C ATOM 1162 NE ARG A 78 -11.483 8.508 -5.220 1.00 0.00 N ATOM 1163 CZ ARG A 78 -10.836 8.574 -6.400 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -10.093 7.574 -6.822 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -10.947 9.681 -7.112 1.00 0.00 N ATOM 0 H ARG A 78 -12.133 2.838 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.485 4.743 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.495 4.648 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.537 5.577 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.337 5.942 -5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.484 6.822 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.599 7.699 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.488 6.882 -4.390 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.020 9.324 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.000 6.732 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.610 7.640 -7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.511 10.457 -6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.469 9.760 -8.009 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.344 3.049 -1.929 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.157 1.967 -0.971 1.00 0.00 C ATOM 1181 C ILE A 79 -9.706 2.503 0.385 1.00 0.00 C ATOM 1182 O ILE A 79 -8.707 3.214 0.479 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.127 0.939 -1.477 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.599 0.310 -2.789 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -8.886 -0.132 -0.425 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.572 -0.583 -3.444 1.00 0.00 C ATOM 0 H ILE A 79 -9.575 3.718 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.123 1.474 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.185 1.455 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.502 -0.270 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.872 1.104 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.156 -0.851 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.507 0.331 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.822 -0.646 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.981 -0.991 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.676 -0.004 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.316 -1.400 -2.769 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.452 2.155 1.428 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.100 2.558 2.784 1.00 0.00 C ATOM 1200 C GLU A 80 -9.792 1.342 3.652 1.00 0.00 C ATOM 1201 O GLU A 80 -10.535 0.360 3.650 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.228 3.382 3.410 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.923 3.911 4.804 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.090 4.672 5.368 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.445 5.680 4.805 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -12.698 4.188 6.293 1.00 0.00 O ATOM 0 H GLU A 80 -11.302 1.596 1.360 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.204 3.176 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.452 4.225 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.127 2.768 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.675 3.080 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.048 4.560 4.766 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.691 1.414 4.392 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.169 0.251 5.102 1.00 0.00 C ATOM 1215 C TYR A 81 -7.756 0.623 6.523 1.00 0.00 C ATOM 1216 O TYR A 81 -7.217 1.703 6.763 1.00 0.00 O ATOM 1217 CB TYR A 81 -6.982 -0.350 4.347 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.303 -1.486 5.078 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -6.904 -2.732 5.175 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.061 -1.309 5.669 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -6.288 -3.773 5.842 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.435 -2.342 6.339 1.00 0.00 C ATOM 1223 CZ TYR A 81 -5.051 -3.574 6.423 1.00 0.00 C ATOM 1224 OH TYR A 81 -4.432 -4.607 7.088 1.00 0.00 O ATOM 0 H TYR A 81 -8.143 2.265 4.516 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.962 -0.495 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.325 -0.709 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -6.250 0.435 4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.871 -2.891 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.575 -0.347 5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.771 -4.737 5.909 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.468 -2.186 6.795 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.477 -4.408 7.185 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.013 -0.282 7.461 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.733 -0.025 8.869 1.00 0.00 C ATOM 1236 C ALA A 82 -6.791 -1.076 9.443 1.00 0.00 C ATOM 1237 O ALA A 82 -6.940 -2.269 9.180 1.00 0.00 O ATOM 1238 CB ALA A 82 -9.029 0.015 9.665 1.00 0.00 C ATOM 0 H ALA A 82 -8.415 -1.200 7.272 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.241 0.945 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.806 0.208 10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.669 0.808 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.542 -0.942 9.573 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.817 -0.626 10.228 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.842 -1.527 10.829 1.00 0.00 C ATOM 1246 C PHE A 83 -4.415 -1.028 12.205 1.00 0.00 C ATOM 1247 O PHE A 83 -4.092 0.147 12.379 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.621 -1.679 9.918 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.939 -0.379 9.598 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -3.354 0.391 8.522 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.883 0.076 10.372 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -2.727 1.586 8.224 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -1.255 1.272 10.078 1.00 0.00 C ATOM 1254 CZ PHE A 83 -1.676 2.027 9.005 1.00 0.00 C ATOM 0 H PHE A 83 -5.683 0.358 10.462 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.313 -2.503 10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.904 -2.347 10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.930 -2.155 8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.177 0.053 7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.547 -0.510 11.214 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.058 2.175 7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.434 1.615 10.690 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.186 2.961 8.775 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.416 -1.930 13.183 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.011 -1.566 14.528 1.00 0.00 C ATOM 1266 C GLY A 84 -4.847 -0.439 15.100 1.00 0.00 C ATOM 1267 O GLY A 84 -6.069 -0.552 15.197 1.00 0.00 O ATOM 0 H GLY A 84 -4.690 -2.906 13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.090 -2.438 15.177 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.962 -1.269 14.520 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.189 0.648 15.483 1.00 0.00 N ATOM 1272 CA ASP A 85 -4.887 1.851 15.923 1.00 0.00 C ATOM 1273 C ASP A 85 -4.689 2.989 14.927 1.00 0.00 C ATOM 1274 O ASP A 85 -4.799 4.163 15.281 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.406 2.274 17.313 1.00 0.00 C ATOM 1276 CG ASP A 85 -2.918 2.582 17.397 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.230 2.362 16.428 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.509 3.177 18.366 1.00 0.00 O ATOM 0 H ASP A 85 -3.172 0.722 15.498 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.951 1.623 15.977 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.965 3.156 17.625 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.641 1.480 18.022 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.396 2.634 13.681 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.218 3.625 12.625 1.00 0.00 C ATOM 1285 C ARG A 86 -4.978 3.219 11.366 1.00 0.00 C ATOM 1286 O ARG A 86 -5.374 2.064 11.211 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.750 3.895 12.329 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.971 4.523 13.475 1.00 0.00 C ATOM 1289 CD ARG A 86 -2.368 5.919 13.792 1.00 0.00 C ATOM 1290 NE ARG A 86 -1.558 6.557 14.817 1.00 0.00 N ATOM 1291 CZ ARG A 86 -1.758 6.423 16.143 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -2.759 5.708 16.608 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -0.936 7.050 16.966 1.00 0.00 N ATOM 0 H ARG A 86 -4.277 1.668 13.377 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.639 4.563 12.987 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.271 2.955 12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.684 4.551 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.101 3.909 14.366 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.909 4.507 13.229 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.314 6.515 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.409 5.923 14.114 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.784 7.147 14.511 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.398 5.245 15.962 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.896 5.617 17.615 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.175 7.617 16.593 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.063 6.967 17.975 1.00 0.00 H new ATOM 1307 N THR A 87 -5.180 4.179 10.468 1.00 0.00 N ATOM 1308 CA THR A 87 -5.917 3.930 9.236 1.00 0.00 C ATOM 1309 C THR A 87 -5.173 4.489 8.028 1.00 0.00 C ATOM 1310 O THR A 87 -4.315 5.360 8.166 1.00 0.00 O ATOM 1311 CB THR A 87 -7.329 4.544 9.288 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.229 5.968 9.416 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.110 3.985 10.467 1.00 0.00 C ATOM 0 H THR A 87 -4.843 5.136 10.572 1.00 0.00 H new ATOM 0 HA THR A 87 -6.006 2.848 9.135 1.00 0.00 H new ATOM 0 HB THR A 87 -7.853 4.292 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.128 6.358 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.105 4.430 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.198 2.903 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.587 4.221 11.394 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.510 3.983 6.846 1.00 0.00 N ATOM 1322 CA ALA A 88 -4.963 4.516 5.604 1.00 0.00 C ATOM 1323 C ALA A 88 -5.957 4.362 4.457 1.00 0.00 C ATOM 1324 O ALA A 88 -6.739 3.412 4.423 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.651 3.827 5.266 1.00 0.00 C ATOM 0 H ALA A 88 -6.159 3.205 6.722 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.774 5.580 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.255 4.235 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.935 3.994 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.822 2.757 5.149 1.00 0.00 H new ATOM 1331 N LYS A 89 -5.919 5.301 3.519 1.00 0.00 N ATOM 1332 CA LYS A 89 -6.834 5.285 2.383 1.00 0.00 C ATOM 1333 C LYS A 89 -6.088 5.558 1.080 1.00 0.00 C ATOM 1334 O LYS A 89 -5.304 6.501 0.987 1.00 0.00 O ATOM 1335 CB LYS A 89 -7.951 6.311 2.578 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.024 6.287 1.498 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.107 7.320 1.770 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.158 7.323 0.669 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.234 8.318 0.931 1.00 0.00 N ATOM 0 H LYS A 89 -5.265 6.083 3.522 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.279 4.292 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.423 6.137 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.510 7.307 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.569 6.481 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.470 5.294 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.582 7.109 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.657 8.310 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.682 7.546 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.596 6.329 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.930 8.289 0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.705 8.091 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.820 9.270 0.988 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.340 4.725 0.074 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.687 4.871 -1.222 1.00 0.00 C ATOM 1355 C VAL A 90 -6.697 5.208 -2.311 1.00 0.00 C ATOM 1356 O VAL A 90 -7.764 4.600 -2.391 1.00 0.00 O ATOM 1357 CB VAL A 90 -4.924 3.593 -1.618 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -5.864 2.397 -1.637 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.259 3.769 -2.974 1.00 0.00 C ATOM 0 H VAL A 90 -6.992 3.942 0.132 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.975 5.691 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.148 3.410 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.309 1.502 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.297 2.259 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.661 2.572 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.724 2.857 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.019 3.976 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.556 4.601 -2.929 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.352 6.180 -3.151 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.224 6.586 -4.247 1.00 0.00 C ATOM 1371 C GLU A 91 -6.486 6.529 -5.581 1.00 0.00 C ATOM 1372 O GLU A 91 -5.289 6.807 -5.653 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.768 7.996 -4.004 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.566 8.148 -2.718 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.160 9.526 -2.603 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.947 10.319 -3.488 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -9.917 9.750 -1.688 1.00 0.00 O ATOM 0 H GLU A 91 -5.476 6.700 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.061 5.889 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.933 8.696 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.401 8.278 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.361 7.403 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.920 7.955 -1.862 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.208 6.163 -6.635 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.608 6.001 -7.953 1.00 0.00 C ATOM 1386 C PHE A 92 -7.197 7.000 -8.945 1.00 0.00 C ATOM 1387 O PHE A 92 -8.415 7.111 -9.082 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.807 4.571 -8.460 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.103 3.533 -7.634 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.723 2.964 -6.533 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.817 3.124 -7.957 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -6.077 2.008 -5.773 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.169 2.167 -7.200 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.799 1.609 -6.106 1.00 0.00 C ATOM 0 H PHE A 92 -8.210 5.973 -6.601 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.539 6.195 -7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.873 4.346 -8.477 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.451 4.507 -9.488 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.723 3.272 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.317 3.559 -8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.573 1.573 -4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.169 1.855 -7.464 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.293 0.862 -5.512 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.323 7.726 -9.634 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.752 8.677 -10.653 1.00 0.00 C ATOM 1406 C LEU A 93 -6.160 8.325 -12.014 1.00 0.00 C ATOM 1407 O LEU A 93 -4.955 8.111 -12.138 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.355 10.103 -10.250 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.628 11.181 -11.309 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -8.128 11.349 -11.506 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.991 12.492 -10.875 1.00 0.00 C ATOM 0 H LEU A 93 -5.313 7.674 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.838 8.623 -10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.890 10.368 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.292 10.113 -10.010 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.191 10.877 -12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.313 12.115 -12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.560 10.404 -11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.588 11.648 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.185 13.257 -11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.416 12.805 -9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.915 12.355 -10.766 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.016 8.266 -13.029 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.567 8.004 -14.391 1.00 0.00 C ATOM 1425 C GLU A 94 -6.090 9.289 -15.063 1.00 0.00 C ATOM 1426 O GLU A 94 -6.846 10.250 -15.195 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.687 7.363 -15.212 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.299 7.012 -16.641 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.456 6.416 -17.391 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.514 6.299 -16.820 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.318 6.181 -18.569 1.00 0.00 O ATOM 0 H GLU A 94 -8.023 8.396 -12.934 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.728 7.310 -14.342 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.019 6.456 -14.706 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.538 8.044 -15.237 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.952 7.908 -17.156 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.467 6.307 -16.631 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.830 9.296 -15.486 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.275 10.431 -16.214 1.00 0.00 C ATOM 1440 C ALA A 95 -3.959 10.056 -17.658 1.00 0.00 C ATOM 1441 O ALA A 95 -3.776 8.886 -17.994 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.025 10.946 -15.515 1.00 0.00 C ATOM 0 H ALA A 95 -4.174 8.529 -15.337 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.023 11.223 -16.227 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.621 11.793 -16.069 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.278 11.262 -14.503 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.279 10.152 -15.472 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.892 11.070 -18.533 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.531 10.880 -19.940 1.00 0.00 C ATOM 1450 C PRO A 96 -2.104 10.371 -20.109 1.00 0.00 C ATOM 1451 O PRO A 96 -1.784 9.711 -21.097 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.718 12.268 -20.559 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.577 13.209 -19.412 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.178 12.492 -18.232 1.00 0.00 C ATOM 0 HA PRO A 96 -4.145 10.120 -20.422 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.970 12.464 -21.328 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.695 12.363 -21.033 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.531 13.455 -19.231 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.096 14.148 -19.607 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.723 12.806 -17.293 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.248 12.680 -18.146 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.251 10.685 -19.140 1.00 0.00 N ATOM 1463 CA GLN A 97 0.156 10.311 -19.210 1.00 0.00 C ATOM 1464 C GLN A 97 0.420 9.033 -18.419 1.00 0.00 C ATOM 1465 O GLN A 97 1.404 8.335 -18.661 1.00 0.00 O ATOM 1466 CB GLN A 97 1.040 11.442 -18.678 1.00 0.00 C ATOM 1467 CG GLN A 97 0.907 12.748 -19.444 1.00 0.00 C ATOM 1468 CD GLN A 97 1.241 12.593 -20.916 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.263 12.003 -21.276 1.00 0.00 O ATOM 1470 NE2 GLN A 97 0.381 13.125 -21.776 1.00 0.00 N ATOM 0 H GLN A 97 -1.510 11.198 -18.297 1.00 0.00 H new ATOM 0 HA GLN A 97 0.402 10.130 -20.256 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.792 11.620 -17.632 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.081 11.120 -18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.112 13.123 -19.343 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.567 13.494 -19.001 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.452 13.604 -21.434 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.553 13.054 -22.779 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.465 8.734 -17.474 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.253 7.602 -16.591 1.00 0.00 C ATOM 1481 C GLY A 98 -1.351 7.462 -15.554 1.00 0.00 C ATOM 1482 O GLY A 98 -2.415 8.068 -15.681 1.00 0.00 O ATOM 0 H GLY A 98 -1.325 9.255 -17.304 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.198 6.689 -17.183 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.707 7.713 -16.087 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.093 6.662 -14.525 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.030 6.511 -13.419 1.00 0.00 C ATOM 1488 C VAL A 99 -1.442 7.060 -12.123 1.00 0.00 C ATOM 1489 O VAL A 99 -0.333 6.698 -11.729 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.427 5.038 -13.210 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.394 4.908 -12.043 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.044 4.468 -14.478 1.00 0.00 C ATOM 0 H VAL A 99 -0.242 6.108 -14.434 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.921 7.081 -13.681 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.527 4.468 -12.978 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.664 3.861 -11.909 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.920 5.279 -11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.292 5.491 -12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.319 3.426 -14.312 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.934 5.041 -14.739 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.322 4.528 -15.293 1.00 0.00 H new ATOM 1502 N THR A 100 -2.192 7.937 -11.463 1.00 0.00 N ATOM 1503 CA THR A 100 -1.727 8.569 -10.237 1.00 0.00 C ATOM 1504 C THR A 100 -2.303 7.876 -9.007 1.00 0.00 C ATOM 1505 O THR A 100 -3.519 7.750 -8.865 1.00 0.00 O ATOM 1506 CB THR A 100 -2.100 10.062 -10.194 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.445 10.752 -11.267 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.682 10.680 -8.868 1.00 0.00 C ATOM 0 H THR A 100 -3.125 8.225 -11.758 1.00 0.00 H new ATOM 0 HA THR A 100 -0.641 8.475 -10.228 1.00 0.00 H new ATOM 0 HB THR A 100 -3.181 10.154 -10.300 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.476 10.739 -11.121 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.954 11.735 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.189 10.166 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.603 10.582 -8.745 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.421 7.428 -8.119 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.842 6.725 -6.912 1.00 0.00 C ATOM 1518 C VAL A 101 -1.521 7.539 -5.663 1.00 0.00 C ATOM 1519 O VAL A 101 -0.369 7.898 -5.422 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.169 5.343 -6.800 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.652 4.617 -5.553 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.451 4.511 -8.041 1.00 0.00 C ATOM 0 H VAL A 101 -0.411 7.539 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.921 6.588 -6.986 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.092 5.489 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.167 3.643 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.403 5.205 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.732 4.482 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.968 3.539 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.527 4.373 -8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.061 5.024 -8.920 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.550 7.827 -4.872 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.387 8.642 -3.675 1.00 0.00 C ATOM 1534 C ARG A 102 -2.775 7.857 -2.424 1.00 0.00 C ATOM 1535 O ARG A 102 -3.857 7.272 -2.358 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.144 9.958 -3.766 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.008 10.861 -2.551 1.00 0.00 C ATOM 1538 CD ARG A 102 -3.763 12.136 -2.647 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.275 13.052 -3.666 1.00 0.00 N ATOM 1540 CZ ARG A 102 -3.956 14.120 -4.125 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.166 14.391 -3.688 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.384 14.877 -5.045 1.00 0.00 N ATOM 0 H ARG A 102 -3.504 7.508 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.330 8.897 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.795 10.501 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.201 9.742 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.348 10.317 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.953 11.088 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.809 11.909 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.729 12.637 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.352 12.873 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.603 13.789 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.667 15.204 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.452 14.646 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.875 15.692 -5.412 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.886 7.846 -1.437 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.151 7.162 -0.177 1.00 0.00 C ATOM 1558 C VAL A 103 -2.029 8.120 1.004 1.00 0.00 C ATOM 1559 O VAL A 103 -0.987 8.745 1.205 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.193 5.975 0.034 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.472 5.296 1.367 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.319 4.978 -1.107 1.00 0.00 C ATOM 0 H VAL A 103 -0.975 8.303 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.172 6.785 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.172 6.356 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.786 4.459 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.332 6.012 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.498 4.929 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.635 4.146 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.342 4.603 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.071 5.469 -2.048 1.00 0.00 H new ATOM 1572 N SER A 104 -3.101 8.231 1.781 1.00 0.00 N ATOM 1573 CA SER A 104 -3.099 9.081 2.967 1.00 0.00 C ATOM 1574 C SER A 104 -3.404 8.265 4.220 1.00 0.00 C ATOM 1575 O SER A 104 -4.362 7.492 4.253 1.00 0.00 O ATOM 1576 CB SER A 104 -4.104 10.205 2.807 1.00 0.00 C ATOM 1577 OG SER A 104 -4.098 11.076 3.904 1.00 0.00 O ATOM 0 H SER A 104 -3.981 7.744 1.612 1.00 0.00 H new ATOM 0 HA SER A 104 -2.105 9.514 3.079 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.880 10.765 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.102 9.784 2.684 1.00 0.00 H new ATOM 0 HG SER A 104 -3.445 11.791 3.751 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.582 8.441 5.248 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.647 7.596 6.436 1.00 0.00 C ATOM 1585 C PHE A 105 -2.363 8.406 7.697 1.00 0.00 C ATOM 1586 O PHE A 105 -1.800 9.498 7.632 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.661 6.432 6.320 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.223 6.860 6.260 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.350 7.251 5.060 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.559 6.874 7.406 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.674 7.644 5.003 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.883 7.268 7.352 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.440 7.652 6.151 1.00 0.00 C ATOM 0 H PHE A 105 -1.861 9.162 5.283 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.657 7.193 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.797 5.766 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.897 5.856 5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.245 7.249 4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.129 6.574 8.350 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.109 7.944 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.481 7.275 8.251 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.475 7.959 6.108 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.756 7.861 8.844 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.549 8.536 10.120 1.00 0.00 C ATOM 1605 C VAL A 106 -1.186 8.188 10.708 1.00 0.00 C ATOM 1606 O VAL A 106 -0.796 7.022 10.753 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.646 8.169 11.138 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -3.415 8.897 12.454 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -5.021 8.501 10.581 1.00 0.00 C ATOM 0 H VAL A 106 -3.219 6.955 8.916 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.595 9.607 9.923 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.599 7.096 11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.199 8.627 13.162 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.445 8.613 12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.436 9.973 12.283 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.784 8.235 11.313 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.079 9.568 10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.187 7.938 9.663 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.466 9.210 11.160 1.00 0.00 N ATOM 1620 CA ALA A 107 0.897 9.030 11.644 1.00 0.00 C ATOM 1621 C ALA A 107 0.907 8.407 13.036 1.00 0.00 C ATOM 1622 O ALA A 107 0.026 8.675 13.852 1.00 0.00 O ATOM 1623 CB ALA A 107 1.634 10.360 11.653 1.00 0.00 C ATOM 0 H ALA A 107 -0.804 10.171 11.201 1.00 0.00 H new ATOM 0 HA ALA A 107 1.410 8.348 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.651 10.210 12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.666 10.765 10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.114 11.060 12.307 1.00 0.00 H new ATOM 1629 N GLU A 108 1.910 7.576 13.301 1.00 0.00 N ATOM 1630 CA GLU A 108 2.095 7.000 14.628 1.00 0.00 C ATOM 1631 C GLU A 108 2.840 7.969 15.541 1.00 0.00 C ATOM 1632 O GLU A 108 3.813 8.604 15.131 1.00 0.00 O ATOM 1633 CB GLU A 108 2.849 5.672 14.536 1.00 0.00 C ATOM 1634 CG GLU A 108 2.133 4.597 13.731 1.00 0.00 C ATOM 1635 CD GLU A 108 2.976 3.358 13.605 1.00 0.00 C ATOM 1636 OE1 GLU A 108 4.050 3.445 13.061 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.597 2.349 14.152 1.00 0.00 O ATOM 0 H GLU A 108 2.607 7.287 12.615 1.00 0.00 H new ATOM 0 HA GLU A 108 1.110 6.813 15.056 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.826 5.853 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.025 5.297 15.544 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.187 4.349 14.212 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.895 4.980 12.739 1.00 0.00 H new ATOM 1644 N THR A 109 2.377 8.078 16.782 1.00 0.00 N ATOM 1645 CA THR A 109 2.987 8.981 17.750 1.00 0.00 C ATOM 1646 C THR A 109 4.328 8.442 18.236 1.00 0.00 C ATOM 1647 O THR A 109 5.166 9.195 18.731 1.00 0.00 O ATOM 1648 CB THR A 109 2.068 9.215 18.963 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.782 7.962 19.598 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.765 9.867 18.527 1.00 0.00 C ATOM 0 H THR A 109 1.581 7.551 17.141 1.00 0.00 H new ATOM 0 HA THR A 109 3.144 9.931 17.238 1.00 0.00 H new ATOM 0 HB THR A 109 2.577 9.877 19.663 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.198 8.113 20.371 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.128 10.025 19.397 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.978 10.826 18.055 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.254 9.218 17.816 1.00 0.00 H new ATOM 1658 N GLU A 110 4.522 7.135 18.095 1.00 0.00 N ATOM 1659 CA GLU A 110 5.748 6.491 18.551 1.00 0.00 C ATOM 1660 C GLU A 110 6.913 6.818 17.621 1.00 0.00 C ATOM 1661 O GLU A 110 8.076 6.631 17.976 1.00 0.00 O ATOM 1662 CB GLU A 110 5.555 4.975 18.644 1.00 0.00 C ATOM 1663 CG GLU A 110 4.593 4.529 19.735 1.00 0.00 C ATOM 1664 CD GLU A 110 4.403 3.038 19.721 1.00 0.00 C ATOM 1665 OE1 GLU A 110 4.994 2.391 18.889 1.00 0.00 O ATOM 1666 OE2 GLU A 110 3.758 2.533 20.609 1.00 0.00 O ATOM 0 H GLU A 110 3.846 6.501 17.669 1.00 0.00 H new ATOM 0 HA GLU A 110 5.983 6.876 19.543 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.192 4.608 17.684 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.524 4.508 18.818 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.974 4.840 20.708 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.630 5.022 19.597 1.00 0.00 H new ATOM 1673 N TYR A 111 6.590 7.307 16.428 1.00 0.00 N ATOM 1674 CA TYR A 111 7.608 7.655 15.445 1.00 0.00 C ATOM 1675 C TYR A 111 7.397 9.072 14.919 1.00 0.00 C ATOM 1676 O TYR A 111 6.276 9.579 14.860 1.00 0.00 O ATOM 1677 CB TYR A 111 7.597 6.656 14.285 1.00 0.00 C ATOM 1678 CG TYR A 111 7.880 5.230 14.702 1.00 0.00 C ATOM 1679 CD1 TYR A 111 9.177 4.743 14.738 1.00 0.00 C ATOM 1680 CD2 TYR A 111 6.846 4.374 15.058 1.00 0.00 C ATOM 1681 CE1 TYR A 111 9.441 3.440 15.118 1.00 0.00 C ATOM 1682 CE2 TYR A 111 7.098 3.070 15.441 1.00 0.00 C ATOM 1683 CZ TYR A 111 8.398 2.607 15.469 1.00 0.00 C ATOM 1684 OH TYR A 111 8.654 1.310 15.847 1.00 0.00 O ATOM 0 H TYR A 111 5.632 7.471 16.119 1.00 0.00 H new ATOM 0 HA TYR A 111 8.579 7.612 15.937 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.624 6.695 13.794 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.339 6.963 13.547 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.996 5.392 14.465 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.828 4.733 15.035 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.458 3.076 15.140 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.283 2.417 15.717 1.00 0.00 H new ATOM 0 HH TYR A 111 7.811 0.860 16.063 1.00 0.00 H new ATOM 1694 N PRO A 112 8.499 9.727 14.529 1.00 0.00 N ATOM 1695 CA PRO A 112 8.454 11.058 13.915 1.00 0.00 C ATOM 1696 C PRO A 112 7.759 11.047 12.558 1.00 0.00 C ATOM 1697 O PRO A 112 7.834 10.065 11.819 1.00 0.00 O ATOM 1698 CB PRO A 112 9.928 11.459 13.796 1.00 0.00 C ATOM 1699 CG PRO A 112 10.662 10.163 13.742 1.00 0.00 C ATOM 1700 CD PRO A 112 9.893 9.230 14.641 1.00 0.00 C ATOM 0 HA PRO A 112 7.874 11.764 14.509 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.107 12.054 12.901 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.246 12.061 14.648 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.706 9.779 12.723 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.690 10.279 14.084 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.979 8.194 14.314 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.254 9.271 15.669 1.00 0.00 H new ATOM 1708 N VAL A 113 7.082 12.145 12.236 1.00 0.00 N ATOM 1709 CA VAL A 113 6.336 12.244 10.988 1.00 0.00 C ATOM 1710 C VAL A 113 7.246 12.028 9.784 1.00 0.00 C ATOM 1711 O VAL A 113 6.803 11.565 8.734 1.00 0.00 O ATOM 1712 CB VAL A 113 5.637 13.611 10.854 1.00 0.00 C ATOM 1713 CG1 VAL A 113 4.593 13.785 11.947 1.00 0.00 C ATOM 1714 CG2 VAL A 113 6.657 14.738 10.910 1.00 0.00 C ATOM 0 H VAL A 113 7.035 12.978 12.823 1.00 0.00 H new ATOM 0 HA VAL A 113 5.578 11.461 11.011 1.00 0.00 H new ATOM 0 HB VAL A 113 5.134 13.647 9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.109 14.756 11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.846 12.996 11.865 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.075 13.728 12.923 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.146 15.696 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.186 14.703 11.862 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.371 14.624 10.094 1.00 0.00 H new ATOM 1724 N GLU A 114 8.522 12.364 9.946 1.00 0.00 N ATOM 1725 CA GLU A 114 9.510 12.134 8.900 1.00 0.00 C ATOM 1726 C GLU A 114 9.685 10.642 8.635 1.00 0.00 C ATOM 1727 O GLU A 114 9.788 10.211 7.487 1.00 0.00 O ATOM 1728 CB GLU A 114 10.853 12.763 9.281 1.00 0.00 C ATOM 1729 CG GLU A 114 10.859 14.286 9.269 1.00 0.00 C ATOM 1730 CD GLU A 114 12.167 14.830 9.772 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.998 14.051 10.174 1.00 0.00 O ATOM 1732 OE2 GLU A 114 12.381 16.013 9.650 1.00 0.00 O ATOM 0 H GLU A 114 8.895 12.796 10.791 1.00 0.00 H new ATOM 0 HA GLU A 114 9.148 12.606 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.133 12.418 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.618 12.403 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.679 14.645 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.044 14.660 9.889 1.00 0.00 H new ATOM 1739 N GLN A 115 9.717 9.856 9.707 1.00 0.00 N ATOM 1740 CA GLN A 115 9.868 8.410 9.591 1.00 0.00 C ATOM 1741 C GLN A 115 8.635 7.784 8.947 1.00 0.00 C ATOM 1742 O GLN A 115 8.748 6.861 8.139 1.00 0.00 O ATOM 1743 CB GLN A 115 10.110 7.782 10.966 1.00 0.00 C ATOM 1744 CG GLN A 115 10.344 6.283 10.934 1.00 0.00 C ATOM 1745 CD GLN A 115 11.590 5.908 10.155 1.00 0.00 C ATOM 1746 OE1 GLN A 115 12.651 6.514 10.325 1.00 0.00 O ATOM 1747 NE2 GLN A 115 11.468 4.908 9.290 1.00 0.00 N ATOM 0 H GLN A 115 9.640 10.196 10.665 1.00 0.00 H new ATOM 0 HA GLN A 115 10.731 8.214 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.973 8.263 11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.251 7.991 11.604 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.431 5.910 11.954 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.479 5.793 10.488 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.571 4.434 9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.271 4.614 8.734 1.00 0.00 H new ATOM 1756 N GLN A 116 7.462 8.291 9.309 1.00 0.00 N ATOM 1757 CA GLN A 116 6.210 7.792 8.751 1.00 0.00 C ATOM 1758 C GLN A 116 6.129 8.074 7.255 1.00 0.00 C ATOM 1759 O GLN A 116 5.765 7.201 6.469 1.00 0.00 O ATOM 1760 CB GLN A 116 5.014 8.428 9.465 1.00 0.00 C ATOM 1761 CG GLN A 116 4.805 7.938 10.888 1.00 0.00 C ATOM 1762 CD GLN A 116 4.384 6.482 10.942 1.00 0.00 C ATOM 1763 OE1 GLN A 116 3.461 6.061 10.239 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.057 5.704 11.783 1.00 0.00 N ATOM 0 H GLN A 116 7.351 9.046 9.986 1.00 0.00 H new ATOM 0 HA GLN A 116 6.182 6.713 8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.148 9.510 9.481 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.112 8.227 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.728 8.068 11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.045 8.551 11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.813 6.095 12.345 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.817 4.716 11.866 1.00 0.00 H new ATOM 1773 N GLN A 117 6.473 9.299 6.869 1.00 0.00 N ATOM 1774 CA GLN A 117 6.476 9.683 5.463 1.00 0.00 C ATOM 1775 C GLN A 117 7.519 8.888 4.684 1.00 0.00 C ATOM 1776 O GLN A 117 7.242 8.380 3.598 1.00 0.00 O ATOM 1777 CB GLN A 117 6.750 11.183 5.315 1.00 0.00 C ATOM 1778 CG GLN A 117 6.733 11.680 3.880 1.00 0.00 C ATOM 1779 CD GLN A 117 7.005 13.169 3.781 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.271 13.835 4.786 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.937 13.702 2.566 1.00 0.00 N ATOM 0 H GLN A 117 6.753 10.041 7.510 1.00 0.00 H new ATOM 0 HA GLN A 117 5.491 9.460 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.005 11.735 5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.722 11.409 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.481 11.137 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.763 11.460 3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.714 13.114 1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.108 14.699 2.436 1.00 0.00 H new ATOM 1790 N GLN A 118 8.720 8.786 5.245 1.00 0.00 N ATOM 1791 CA GLN A 118 9.827 8.125 4.565 1.00 0.00 C ATOM 1792 C GLN A 118 9.538 6.640 4.372 1.00 0.00 C ATOM 1793 O GLN A 118 9.848 6.068 3.327 1.00 0.00 O ATOM 1794 CB GLN A 118 11.126 8.301 5.356 1.00 0.00 C ATOM 1795 CG GLN A 118 12.358 7.751 4.660 1.00 0.00 C ATOM 1796 CD GLN A 118 12.659 8.472 3.359 1.00 0.00 C ATOM 1797 OE1 GLN A 118 12.636 9.704 3.296 1.00 0.00 O ATOM 1798 NE2 GLN A 118 12.938 7.706 2.311 1.00 0.00 N ATOM 0 H GLN A 118 8.951 9.153 6.168 1.00 0.00 H new ATOM 0 HA GLN A 118 9.942 8.589 3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.277 9.362 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.019 7.809 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 118 13.216 7.836 5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.215 6.689 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.946 6.691 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.145 8.133 1.408 1.00 0.00 H new ATOM 1807 N GLY A 119 8.942 6.020 5.386 1.00 0.00 N ATOM 1808 CA GLY A 119 8.642 4.602 5.315 1.00 0.00 C ATOM 1809 C GLY A 119 7.656 4.273 4.211 1.00 0.00 C ATOM 1810 O GLY A 119 7.861 3.329 3.449 1.00 0.00 O ATOM 0 H GLY A 119 8.662 6.474 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.565 4.046 5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.236 4.271 6.271 1.00 0.00 H new ATOM 1814 N TRP A 120 6.583 5.051 4.128 1.00 0.00 N ATOM 1815 CA TRP A 120 5.585 4.867 3.080 1.00 0.00 C ATOM 1816 C TRP A 120 6.153 5.241 1.715 1.00 0.00 C ATOM 1817 O TRP A 120 5.820 4.624 0.705 1.00 0.00 O ATOM 1818 CB TRP A 120 4.343 5.710 3.377 1.00 0.00 C ATOM 1819 CG TRP A 120 3.195 4.907 3.910 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.062 4.551 3.236 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.067 4.365 5.229 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.238 3.818 4.056 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.832 3.690 5.284 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.876 4.382 6.367 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.389 3.041 6.433 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 3.436 3.737 7.507 1.00 0.00 C ATOM 1827 CH2 TRP A 120 2.203 3.073 7.533 1.00 0.00 C ATOM 0 H TRP A 120 6.381 5.815 4.773 1.00 0.00 H new ATOM 0 HA TRP A 120 5.305 3.814 3.060 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.602 6.484 4.099 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.030 6.217 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.845 4.808 2.210 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.331 3.432 3.793 1.00 0.00 H new ATOM 0 HE3 TRP A 120 4.829 4.890 6.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 0.437 2.531 6.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.053 3.745 8.393 1.00 0.00 H new ATOM 0 HH2 TRP A 120 1.888 2.576 8.439 1.00 0.00 H new ATOM 1838 N GLN A 121 7.014 6.253 1.695 1.00 0.00 N ATOM 1839 CA GLN A 121 7.651 6.689 0.457 1.00 0.00 C ATOM 1840 C GLN A 121 8.591 5.616 -0.078 1.00 0.00 C ATOM 1841 O GLN A 121 8.656 5.379 -1.285 1.00 0.00 O ATOM 1842 CB GLN A 121 8.424 7.991 0.681 1.00 0.00 C ATOM 1843 CG GLN A 121 9.006 8.595 -0.587 1.00 0.00 C ATOM 1844 CD GLN A 121 7.932 9.042 -1.560 1.00 0.00 C ATOM 1845 OE1 GLN A 121 7.024 9.796 -1.201 1.00 0.00 O ATOM 1846 NE2 GLN A 121 8.027 8.575 -2.800 1.00 0.00 N ATOM 0 H GLN A 121 7.287 6.786 2.521 1.00 0.00 H new ATOM 0 HA GLN A 121 6.867 6.864 -0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.760 8.720 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.234 7.803 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.633 9.447 -0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.650 7.862 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.795 7.953 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.332 8.838 -3.499 1.00 0.00 H new ATOM 1855 N ALA A 122 9.318 4.968 0.825 1.00 0.00 N ATOM 1856 CA ALA A 122 10.302 3.964 0.438 1.00 0.00 C ATOM 1857 C ALA A 122 9.635 2.781 -0.256 1.00 0.00 C ATOM 1858 O ALA A 122 10.118 2.298 -1.281 1.00 0.00 O ATOM 1859 CB ALA A 122 11.082 3.491 1.655 1.00 0.00 C ATOM 0 H ALA A 122 9.244 5.120 1.831 1.00 0.00 H new ATOM 0 HA ALA A 122 10.994 4.424 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.813 2.742 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.598 4.338 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.395 3.054 2.380 1.00 0.00 H new ATOM 1865 N ILE A 123 8.525 2.318 0.309 1.00 0.00 N ATOM 1866 CA ILE A 123 7.772 1.218 -0.277 1.00 0.00 C ATOM 1867 C ILE A 123 7.005 1.672 -1.516 1.00 0.00 C ATOM 1868 O ILE A 123 6.787 0.894 -2.446 1.00 0.00 O ATOM 1869 CB ILE A 123 6.782 0.609 0.734 1.00 0.00 C ATOM 1870 CG1 ILE A 123 5.727 1.643 1.137 1.00 0.00 C ATOM 1871 CG2 ILE A 123 7.523 0.094 1.959 1.00 0.00 C ATOM 1872 CD1 ILE A 123 4.626 1.083 2.008 1.00 0.00 C ATOM 0 H ILE A 123 8.128 2.688 1.172 1.00 0.00 H new ATOM 0 HA ILE A 123 8.499 0.457 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 123 6.276 -0.232 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.216 2.460 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.284 2.067 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.809 -0.333 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.237 -0.672 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.054 0.918 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.917 1.874 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.110 0.285 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.056 0.685 2.927 1.00 0.00 H new ATOM 1884 N LEU A 124 6.601 2.938 -1.522 1.00 0.00 N ATOM 1885 CA LEU A 124 5.936 3.522 -2.682 1.00 0.00 C ATOM 1886 C LEU A 124 6.901 3.650 -3.856 1.00 0.00 C ATOM 1887 O LEU A 124 6.505 3.526 -5.015 1.00 0.00 O ATOM 1888 CB LEU A 124 5.346 4.892 -2.322 1.00 0.00 C ATOM 1889 CG LEU A 124 4.335 5.453 -3.331 1.00 0.00 C ATOM 1890 CD1 LEU A 124 3.134 4.524 -3.437 1.00 0.00 C ATOM 1891 CD2 LEU A 124 3.904 6.846 -2.898 1.00 0.00 C ATOM 0 H LEU A 124 6.722 3.579 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 124 5.125 2.858 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.860 4.816 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 124 6.163 5.605 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 124 4.801 5.521 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.422 4.930 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.464 3.540 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.655 4.436 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.186 7.244 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.442 6.794 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.775 7.500 -2.856 1.00 0.00 H new ATOM 1903 N ASN A 125 8.170 3.896 -3.549 1.00 0.00 N ATOM 1904 CA ASN A 125 9.202 3.987 -4.576 1.00 0.00 C ATOM 1905 C ASN A 125 9.372 2.652 -5.295 1.00 0.00 C ATOM 1906 O ASN A 125 9.518 2.606 -6.515 1.00 0.00 O ATOM 1907 CB ASN A 125 10.527 4.446 -3.995 1.00 0.00 C ATOM 1908 CG ASN A 125 10.552 5.903 -3.622 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.735 6.700 -4.098 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.532 6.268 -2.837 1.00 0.00 N ATOM 0 H ASN A 125 8.509 4.036 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 125 8.876 4.734 -5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.752 3.850 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 125 11.318 4.252 -4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.649 7.251 -2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 125 12.179 5.570 -2.471 1.00 0.00 H new ATOM 1917 N ASN A 126 9.353 1.567 -4.528 1.00 0.00 N ATOM 1918 CA ASN A 126 9.400 0.226 -5.099 1.00 0.00 C ATOM 1919 C ASN A 126 8.127 -0.075 -5.885 1.00 0.00 C ATOM 1920 O ASN A 126 8.168 -0.733 -6.925 1.00 0.00 O ATOM 1921 CB ASN A 126 9.619 -0.828 -4.029 1.00 0.00 C ATOM 1922 CG ASN A 126 11.016 -0.841 -3.471 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.935 -0.231 -4.029 1.00 0.00 O ATOM 1924 ND2 ASN A 126 11.196 -1.600 -2.420 1.00 0.00 N ATOM 0 H ASN A 126 9.305 1.590 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 126 10.249 0.193 -5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.914 -0.659 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.395 -1.809 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.130 -1.709 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.403 -2.082 -1.997 1.00 0.00 H new ATOM 1931 N PHE A 127 6.999 0.413 -5.382 1.00 0.00 N ATOM 1932 CA PHE A 127 5.733 0.307 -6.099 1.00 0.00 C ATOM 1933 C PHE A 127 5.828 0.967 -7.471 1.00 0.00 C ATOM 1934 O PHE A 127 5.440 0.381 -8.483 1.00 0.00 O ATOM 1935 CB PHE A 127 4.602 0.940 -5.285 1.00 0.00 C ATOM 1936 CG PHE A 127 3.285 0.979 -6.007 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.453 -0.131 -6.021 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.876 2.124 -6.673 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.240 -0.096 -6.684 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.665 2.161 -7.336 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.847 1.050 -7.341 1.00 0.00 C ATOM 0 H PHE A 127 6.935 0.886 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 127 5.513 -0.751 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.480 0.384 -4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.887 1.956 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.756 -1.032 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.512 2.997 -6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.601 -0.966 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.358 3.060 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.100 1.078 -7.859 1.00 0.00 H new ATOM 1951 N LYS A 128 6.349 2.188 -7.500 1.00 0.00 N ATOM 1952 CA LYS A 128 6.466 2.943 -8.742 1.00 0.00 C ATOM 1953 C LYS A 128 7.359 2.213 -9.740 1.00 0.00 C ATOM 1954 O LYS A 128 6.984 2.016 -10.895 1.00 0.00 O ATOM 1955 CB LYS A 128 7.014 4.345 -8.470 1.00 0.00 C ATOM 1956 CG LYS A 128 7.193 5.204 -9.715 1.00 0.00 C ATOM 1957 CD LYS A 128 7.835 6.540 -9.378 1.00 0.00 C ATOM 1958 CE LYS A 128 8.084 7.367 -10.631 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.808 8.632 -10.329 1.00 0.00 N ATOM 0 H LYS A 128 6.698 2.677 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 128 5.470 3.035 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.341 4.858 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.976 4.254 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 128 7.811 4.674 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.224 5.372 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.190 7.094 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.778 6.372 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 128 8.662 6.780 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.132 7.599 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.957 9.165 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.245 9.205 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.728 8.411 -9.898 1.00 0.00 H new ATOM 1973 N ARG A 129 8.542 1.813 -9.285 1.00 0.00 N ATOM 1974 CA ARG A 129 9.548 1.241 -10.172 1.00 0.00 C ATOM 1975 C ARG A 129 9.090 -0.110 -10.714 1.00 0.00 C ATOM 1976 O ARG A 129 9.356 -0.450 -11.868 1.00 0.00 O ATOM 1977 CB ARG A 129 10.914 1.142 -9.505 1.00 0.00 C ATOM 1978 CG ARG A 129 11.620 2.472 -9.294 1.00 0.00 C ATOM 1979 CD ARG A 129 12.935 2.365 -8.611 1.00 0.00 C ATOM 1980 NE ARG A 129 13.632 3.630 -8.445 1.00 0.00 N ATOM 1981 CZ ARG A 129 14.822 3.773 -7.829 1.00 0.00 C ATOM 1982 NH1 ARG A 129 15.431 2.743 -7.285 1.00 0.00 N ATOM 1983 NH2 ARG A 129 15.349 4.983 -7.763 1.00 0.00 N ATOM 0 H ARG A 129 8.827 1.874 -8.308 1.00 0.00 H new ATOM 0 HA ARG A 129 9.662 1.922 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.796 0.652 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.553 0.500 -10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.765 2.951 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 129 10.972 3.125 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.785 1.916 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.571 1.686 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 129 13.189 4.468 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 129 15.003 1.818 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 129 16.331 2.869 -6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 129 14.856 5.777 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.249 5.123 -7.303 1.00 0.00 H new ATOM 1997 N HIS A 130 8.399 -0.875 -9.876 1.00 0.00 N ATOM 1998 CA HIS A 130 7.889 -2.182 -10.278 1.00 0.00 C ATOM 1999 C HIS A 130 6.755 -2.036 -11.287 1.00 0.00 C ATOM 2000 O HIS A 130 6.770 -2.661 -12.348 1.00 0.00 O ATOM 2001 CB HIS A 130 7.410 -2.975 -9.057 1.00 0.00 C ATOM 2002 CG HIS A 130 6.880 -4.334 -9.394 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.699 -5.385 -9.751 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.614 -4.813 -9.430 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.958 -6.454 -9.991 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.691 -6.133 -9.804 1.00 0.00 N ATOM 0 H HIS A 130 8.179 -0.614 -8.915 1.00 0.00 H new ATOM 0 HA HIS A 130 8.704 -2.729 -10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 130 8.238 -3.081 -8.356 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.632 -2.407 -8.548 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.713 -4.261 -9.207 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.327 -7.424 -10.289 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.897 -6.763 -9.919 1.00 0.00 H new ATOM 2013 N VAL A 131 5.771 -1.210 -10.948 1.00 0.00 N ATOM 2014 CA VAL A 131 4.592 -1.039 -11.790 1.00 0.00 C ATOM 2015 C VAL A 131 4.955 -0.382 -13.117 1.00 0.00 C ATOM 2016 O VAL A 131 4.437 -0.756 -14.169 1.00 0.00 O ATOM 2017 CB VAL A 131 3.513 -0.194 -11.088 1.00 0.00 C ATOM 2018 CG1 VAL A 131 2.399 0.162 -12.061 1.00 0.00 C ATOM 2019 CG2 VAL A 131 2.952 -0.939 -9.886 1.00 0.00 C ATOM 0 H VAL A 131 5.766 -0.649 -10.096 1.00 0.00 H new ATOM 0 HA VAL A 131 4.193 -2.036 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 131 3.973 0.730 -10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.645 0.759 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 131 2.811 0.734 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.942 -0.752 -12.441 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.191 -0.327 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.508 -1.878 -10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.755 -1.146 -9.179 1.00 0.00 H new ATOM 2029 N GLU A 132 5.852 0.599 -13.060 1.00 0.00 N ATOM 2030 CA GLU A 132 6.277 1.314 -14.258 1.00 0.00 C ATOM 2031 C GLU A 132 6.742 0.342 -15.336 1.00 0.00 C ATOM 2032 O GLU A 132 6.541 0.576 -16.527 1.00 0.00 O ATOM 2033 CB GLU A 132 7.394 2.306 -13.924 1.00 0.00 C ATOM 2034 CG GLU A 132 7.909 3.099 -15.116 1.00 0.00 C ATOM 2035 CD GLU A 132 9.006 4.043 -14.711 1.00 0.00 C ATOM 2036 OE1 GLU A 132 9.343 4.072 -13.552 1.00 0.00 O ATOM 2037 OE2 GLU A 132 9.587 4.654 -15.578 1.00 0.00 O ATOM 0 H GLU A 132 6.297 0.916 -12.199 1.00 0.00 H new ATOM 0 HA GLU A 132 5.420 1.867 -14.641 1.00 0.00 H new ATOM 0 HB2 GLU A 132 7.030 3.003 -13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 132 8.226 1.761 -13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.279 2.414 -15.879 1.00 0.00 H new ATOM 0 HG3 GLU A 132 7.089 3.661 -15.563 1.00 0.00 H new ATOM 2044 N SER A 133 7.365 -0.752 -14.910 1.00 0.00 N ATOM 2045 CA SER A 133 8.003 -1.679 -15.839 1.00 0.00 C ATOM 2046 C SER A 133 6.960 -2.523 -16.565 1.00 0.00 C ATOM 2047 O SER A 133 7.291 -3.304 -17.459 1.00 0.00 O ATOM 2048 CB SER A 133 8.984 -2.569 -15.099 1.00 0.00 C ATOM 2049 OG SER A 133 8.336 -3.470 -14.244 1.00 0.00 O ATOM 0 H SER A 133 7.442 -1.019 -13.928 1.00 0.00 H new ATOM 0 HA SER A 133 8.548 -1.099 -16.584 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.586 -3.123 -15.820 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.670 -1.950 -14.520 1.00 0.00 H new ATOM 0 HG SER A 133 7.965 -2.985 -13.478 1.00 0.00 H new ATOM 2055 N HIS A 134 5.700 -2.360 -16.176 1.00 0.00 N ATOM 2056 CA HIS A 134 4.623 -3.186 -16.710 1.00 0.00 C ATOM 2057 C HIS A 134 4.046 -2.569 -17.981 1.00 0.00 C ATOM 2058 O HIS A 134 3.122 -3.117 -18.585 1.00 0.00 O ATOM 2059 CB HIS A 134 3.515 -3.376 -15.669 1.00 0.00 C ATOM 2060 CG HIS A 134 3.960 -4.116 -14.446 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.191 -4.195 -13.304 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.093 -4.810 -14.187 1.00 0.00 C ATOM 2063 CE1 HIS A 134 3.834 -4.906 -12.394 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.989 -5.291 -12.904 1.00 0.00 N ATOM 0 H HIS A 134 5.399 -1.664 -15.493 1.00 0.00 H new ATOM 0 HA HIS A 134 5.041 -4.162 -16.955 1.00 0.00 H new ATOM 0 HB2 HIS A 134 3.135 -2.398 -15.373 1.00 0.00 H new ATOM 0 HB3 HIS A 134 2.686 -3.915 -16.128 1.00 0.00 H new ATOM 0 HD2 HIS A 134 5.923 -4.958 -14.862 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.475 -5.133 -11.401 1.00 0.00 H new ATOM 0 HE2 HIS A 134 5.691 -5.854 -12.424 1.00 0.00 H new