USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 824 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 81 THR OG1 : rot -97:sc= 0.697 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0.632 USER MOD Set 2.1: A 76 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.0039) USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 ASN : amide:sc= 1.01 K(o=2.2,f=-0.68) USER MOD Set 3.2: A 53 THR OG1 : rot -70:sc= 1.2 USER MOD Set 4.1: A 26 THR OG1 : rot -74:sc= 1.22 USER MOD Set 4.2: A 64 ASN : amide:sc= 1 K(o=2.2,f=-2.3!) USER MOD Set 5.1: A 18 ASN : amide:sc= -0.0594 K(o=0.58,f=-0.2) USER MOD Set 5.2: A 110 HIS : no HD1:sc= 0.643 K(o=0.58,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00614 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 21 ASN : amide:sc= 0.329 K(o=0.33,f=-4.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -126:sc= -1.44 (180deg=-8.59!) USER MOD Single : A 24 THR OG1 : rot -79:sc= 0.807 USER MOD Single : A 29 ASN : amide:sc= 1.61 K(o=1.6,f=-5!) USER MOD Single : A 30 GLN : amide:sc= 1.16 K(o=1.2,f=-0.52) USER MOD Single : A 32 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 25:sc= -0.884 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 37 SER OG : rot -32:sc= 1.24 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.6 K(o=-1.6,f=-6.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 35:sc= 0.923 USER MOD Single : A 59 SER OG : rot -83:sc= 1.11 USER MOD Single : A 61 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.043) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 172:sc= -1.33 USER MOD Single : A 68 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.0046) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -4:sc= 0.351 USER MOD Single : A 78 TYR OH : rot 180:sc= 0.989 USER MOD Single : A 79 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 83 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.0059) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 94 ASN : amide:sc=-0.000551 K(o=-0.00055,f=-0.62) USER MOD Single : A 96 SER OG : rot -45:sc= 0.407 USER MOD Single : A 97 ASN : amide:sc= 0.881 K(o=0.88,f=-6.7!) USER MOD Single : A 98 ASN : amide:sc= 0.15 K(o=0.15,f=-1.4) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -70:sc= 0.115 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HE2:sc= 0.889 K(o=0.89,f=-6.4!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.949 15.439 -8.135 1.00 0.00 N ATOM 2 CA MET A 1 -13.579 15.174 -7.646 1.00 0.00 C ATOM 3 C MET A 1 -13.578 14.078 -6.595 1.00 0.00 C ATOM 4 O MET A 1 -14.074 14.261 -5.483 1.00 0.00 O ATOM 5 CB MET A 1 -12.953 16.445 -7.066 1.00 0.00 C ATOM 6 CG MET A 1 -12.628 17.493 -8.113 1.00 0.00 C ATOM 7 SD MET A 1 -11.758 18.911 -7.421 1.00 0.00 S ATOM 8 CE MET A 1 -11.370 19.819 -8.914 1.00 0.00 C ATOM 0 H1 MET A 1 -14.922 16.192 -8.852 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.341 14.573 -8.557 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.549 15.739 -7.340 1.00 0.00 H new ATOM 0 HA MET A 1 -12.984 14.843 -8.497 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.636 16.875 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.040 16.180 -6.533 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.018 17.043 -8.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.551 17.831 -8.583 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.828 20.729 -8.656 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.752 19.201 -9.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.293 20.081 -9.431 1.00 0.00 H new ATOM 20 N ILE A 2 -13.023 12.935 -6.960 1.00 0.00 N ATOM 21 CA ILE A 2 -12.895 11.818 -6.044 1.00 0.00 C ATOM 22 C ILE A 2 -11.581 11.084 -6.314 1.00 0.00 C ATOM 23 O ILE A 2 -11.192 10.898 -7.471 1.00 0.00 O ATOM 24 CB ILE A 2 -14.101 10.849 -6.171 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.175 9.911 -4.964 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.021 10.043 -7.462 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.433 9.071 -4.926 1.00 0.00 C ATOM 0 H ILE A 2 -12.651 12.757 -7.893 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.888 12.201 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.009 11.451 -6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.308 9.251 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.115 10.503 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.878 9.372 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.027 10.721 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.101 9.458 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.417 8.431 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.305 9.724 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.485 8.453 -5.822 1.00 0.00 H new ATOM 39 N PRO A 3 -10.840 10.726 -5.257 1.00 0.00 N ATOM 40 CA PRO A 3 -9.599 9.965 -5.388 1.00 0.00 C ATOM 41 C PRO A 3 -9.851 8.503 -5.747 1.00 0.00 C ATOM 42 O PRO A 3 -10.961 7.993 -5.591 1.00 0.00 O ATOM 43 CB PRO A 3 -8.948 10.068 -3.998 1.00 0.00 C ATOM 44 CG PRO A 3 -9.758 11.072 -3.242 1.00 0.00 C ATOM 45 CD PRO A 3 -11.126 11.050 -3.856 1.00 0.00 C ATOM 0 HA PRO A 3 -8.974 10.357 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.951 9.102 -3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.908 10.384 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.802 10.819 -2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.314 12.065 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.768 10.303 -3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.631 12.011 -3.757 1.00 0.00 H new ATOM 53 N ASP A 4 -8.819 7.849 -6.245 1.00 0.00 N ATOM 54 CA ASP A 4 -8.869 6.427 -6.552 1.00 0.00 C ATOM 55 C ASP A 4 -7.493 5.837 -6.263 1.00 0.00 C ATOM 56 O ASP A 4 -6.595 5.883 -7.105 1.00 0.00 O ATOM 57 CB ASP A 4 -9.268 6.216 -8.020 1.00 0.00 C ATOM 58 CG ASP A 4 -9.681 4.790 -8.339 1.00 0.00 C ATOM 59 OD1 ASP A 4 -8.794 3.940 -8.541 1.00 0.00 O ATOM 60 OD2 ASP A 4 -10.903 4.522 -8.423 1.00 0.00 O ATOM 0 H ASP A 4 -7.920 8.286 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.618 5.927 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.092 6.887 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.430 6.494 -8.659 1.00 0.00 H new ATOM 65 N LEU A 5 -7.321 5.329 -5.050 1.00 0.00 N ATOM 66 CA LEU A 5 -6.009 4.945 -4.552 1.00 0.00 C ATOM 67 C LEU A 5 -5.715 3.491 -4.873 1.00 0.00 C ATOM 68 O LEU A 5 -6.191 2.577 -4.203 1.00 0.00 O ATOM 69 CB LEU A 5 -5.936 5.181 -3.043 1.00 0.00 C ATOM 70 CG LEU A 5 -6.325 6.591 -2.594 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.270 6.706 -1.080 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.418 7.621 -3.238 1.00 0.00 C ATOM 0 H LEU A 5 -8.082 5.173 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.257 5.560 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.589 4.464 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.920 4.975 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.349 6.783 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.550 7.716 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.962 5.991 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.258 6.493 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.708 8.618 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.385 7.429 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.507 7.557 -4.322 1.00 0.00 H new ATOM 84 N VAL A 6 -4.920 3.283 -5.903 1.00 0.00 N ATOM 85 CA VAL A 6 -4.654 1.947 -6.398 1.00 0.00 C ATOM 86 C VAL A 6 -3.269 1.468 -5.991 1.00 0.00 C ATOM 87 O VAL A 6 -2.261 2.021 -6.431 1.00 0.00 O ATOM 88 CB VAL A 6 -4.759 1.892 -7.936 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.660 0.458 -8.440 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.048 2.540 -8.409 1.00 0.00 C ATOM 0 H VAL A 6 -4.445 4.026 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.407 1.295 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.921 2.452 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.737 0.448 -9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.702 0.032 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.470 -0.134 -8.014 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.102 2.491 -9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.899 2.013 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.069 3.583 -8.092 1.00 0.00 H new ATOM 100 N PRO A 7 -3.196 0.462 -5.116 1.00 0.00 N ATOM 101 CA PRO A 7 -1.956 -0.259 -4.874 1.00 0.00 C ATOM 102 C PRO A 7 -1.573 -1.059 -6.116 1.00 0.00 C ATOM 103 O PRO A 7 -2.158 -2.100 -6.414 1.00 0.00 O ATOM 104 CB PRO A 7 -2.282 -1.171 -3.692 1.00 0.00 C ATOM 105 CG PRO A 7 -3.766 -1.306 -3.701 1.00 0.00 C ATOM 106 CD PRO A 7 -4.303 -0.028 -4.281 1.00 0.00 C ATOM 0 HA PRO A 7 -1.108 0.392 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.798 -2.142 -3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.931 -0.741 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.075 -2.164 -4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.148 -1.466 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.204 -0.202 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.565 0.688 -3.502 1.00 0.00 H new ATOM 114 N VAL A 8 -0.605 -0.538 -6.846 1.00 0.00 N ATOM 115 CA VAL A 8 -0.291 -1.020 -8.181 1.00 0.00 C ATOM 116 C VAL A 8 0.569 -2.279 -8.128 1.00 0.00 C ATOM 117 O VAL A 8 0.262 -3.278 -8.782 1.00 0.00 O ATOM 118 CB VAL A 8 0.436 0.075 -9.001 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.476 -0.274 -10.477 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.229 1.426 -8.802 1.00 0.00 C ATOM 0 H VAL A 8 -0.013 0.231 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.234 -1.266 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 8 1.462 0.130 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.993 0.515 -11.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.005 -1.217 -10.614 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.542 -0.371 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.297 2.180 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.267 1.372 -9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.195 1.696 -7.747 1.00 0.00 H new ATOM 130 N SER A 9 1.634 -2.234 -7.341 1.00 0.00 N ATOM 131 CA SER A 9 2.557 -3.355 -7.250 1.00 0.00 C ATOM 132 C SER A 9 3.182 -3.446 -5.865 1.00 0.00 C ATOM 133 O SER A 9 3.103 -2.505 -5.072 1.00 0.00 O ATOM 134 CB SER A 9 3.651 -3.220 -8.307 1.00 0.00 C ATOM 135 OG SER A 9 3.100 -3.209 -9.613 1.00 0.00 O ATOM 0 H SER A 9 1.880 -1.435 -6.757 1.00 0.00 H new ATOM 0 HA SER A 9 1.993 -4.270 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.213 -2.301 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.356 -4.046 -8.213 1.00 0.00 H new ATOM 0 HG SER A 9 3.821 -3.120 -10.271 1.00 0.00 H new ATOM 141 N LEU A 10 3.805 -4.584 -5.589 1.00 0.00 N ATOM 142 CA LEU A 10 4.455 -4.831 -4.309 1.00 0.00 C ATOM 143 C LEU A 10 5.773 -5.564 -4.536 1.00 0.00 C ATOM 144 O LEU A 10 5.791 -6.756 -4.836 1.00 0.00 O ATOM 145 CB LEU A 10 3.525 -5.642 -3.394 1.00 0.00 C ATOM 146 CG LEU A 10 4.143 -6.165 -2.089 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.742 -5.037 -1.266 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.095 -6.901 -1.274 1.00 0.00 C ATOM 0 H LEU A 10 3.874 -5.361 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 10 4.667 -3.880 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.666 -5.020 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.146 -6.494 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 10 4.946 -6.853 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.170 -5.443 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.523 -4.541 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.963 -4.317 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.544 -7.268 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.277 -6.222 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.711 -7.743 -1.850 1.00 0.00 H new ATOM 160 N THR A 11 6.872 -4.838 -4.416 1.00 0.00 N ATOM 161 CA THR A 11 8.187 -5.396 -4.696 1.00 0.00 C ATOM 162 C THR A 11 9.118 -5.250 -3.495 1.00 0.00 C ATOM 163 O THR A 11 9.040 -4.261 -2.766 1.00 0.00 O ATOM 164 CB THR A 11 8.820 -4.703 -5.917 1.00 0.00 C ATOM 165 OG1 THR A 11 8.726 -3.281 -5.773 1.00 0.00 O ATOM 166 CG2 THR A 11 8.136 -5.135 -7.205 1.00 0.00 C ATOM 0 H THR A 11 6.881 -3.860 -4.126 1.00 0.00 H new ATOM 0 HA THR A 11 8.053 -6.457 -4.909 1.00 0.00 H new ATOM 0 HB THR A 11 9.869 -4.996 -5.970 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.132 -2.846 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.602 -4.631 -8.051 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.235 -6.214 -7.326 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.079 -4.870 -7.162 1.00 0.00 H new ATOM 174 N PRO A 12 10.009 -6.227 -3.268 1.00 0.00 N ATOM 175 CA PRO A 12 10.099 -7.449 -4.072 1.00 0.00 C ATOM 176 C PRO A 12 9.072 -8.494 -3.642 1.00 0.00 C ATOM 177 O PRO A 12 8.616 -8.491 -2.499 1.00 0.00 O ATOM 178 CB PRO A 12 11.526 -7.959 -3.801 1.00 0.00 C ATOM 179 CG PRO A 12 12.158 -6.961 -2.881 1.00 0.00 C ATOM 180 CD PRO A 12 11.033 -6.215 -2.225 1.00 0.00 C ATOM 0 HA PRO A 12 9.897 -7.259 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.506 -8.949 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.091 -8.046 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.780 -7.459 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.805 -6.280 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.693 -6.708 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.322 -5.201 -1.949 1.00 0.00 H new ATOM 188 N VAL A 13 8.722 -9.391 -4.555 1.00 0.00 N ATOM 189 CA VAL A 13 7.710 -10.407 -4.277 1.00 0.00 C ATOM 190 C VAL A 13 8.309 -11.611 -3.553 1.00 0.00 C ATOM 191 O VAL A 13 7.588 -12.479 -3.071 1.00 0.00 O ATOM 192 CB VAL A 13 7.002 -10.881 -5.564 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.296 -9.719 -6.242 1.00 0.00 C ATOM 194 CG2 VAL A 13 7.987 -11.537 -6.517 1.00 0.00 C ATOM 0 H VAL A 13 9.121 -9.437 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 13 6.972 -9.936 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 13 6.256 -11.625 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.802 -10.072 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.553 -9.299 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.025 -8.952 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.463 -11.862 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.763 -10.821 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.444 -12.400 -6.032 1.00 0.00 H new ATOM 204 N THR A 14 9.626 -11.675 -3.499 1.00 0.00 N ATOM 205 CA THR A 14 10.310 -12.689 -2.724 1.00 0.00 C ATOM 206 C THR A 14 11.120 -12.038 -1.610 1.00 0.00 C ATOM 207 O THR A 14 11.911 -11.126 -1.855 1.00 0.00 O ATOM 208 CB THR A 14 11.228 -13.548 -3.610 1.00 0.00 C ATOM 209 OG1 THR A 14 11.636 -12.798 -4.765 1.00 0.00 O ATOM 210 CG2 THR A 14 10.537 -14.833 -4.038 1.00 0.00 C ATOM 0 H THR A 14 10.247 -11.030 -3.988 1.00 0.00 H new ATOM 0 HA THR A 14 9.556 -13.343 -2.287 1.00 0.00 H new ATOM 0 HB THR A 14 12.108 -13.818 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.222 -13.351 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.212 -15.418 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.266 -15.412 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.637 -14.591 -4.603 1.00 0.00 H new ATOM 218 N VAL A 15 10.905 -12.489 -0.385 1.00 0.00 N ATOM 219 CA VAL A 15 11.567 -11.896 0.766 1.00 0.00 C ATOM 220 C VAL A 15 12.538 -12.876 1.406 1.00 0.00 C ATOM 221 O VAL A 15 12.508 -14.075 1.120 1.00 0.00 O ATOM 222 CB VAL A 15 10.542 -11.435 1.823 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.625 -10.370 1.243 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.734 -12.616 2.345 1.00 0.00 C ATOM 0 H VAL A 15 10.278 -13.262 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 15 12.120 -11.029 0.404 1.00 0.00 H new ATOM 0 HB VAL A 15 11.086 -11.002 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.908 -10.055 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.218 -9.512 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.091 -10.778 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.018 -12.267 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.199 -13.085 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.406 -13.343 2.801 1.00 0.00 H new ATOM 234 N VAL A 16 13.406 -12.360 2.262 1.00 0.00 N ATOM 235 CA VAL A 16 14.354 -13.197 2.977 1.00 0.00 C ATOM 236 C VAL A 16 13.977 -13.247 4.454 1.00 0.00 C ATOM 237 O VAL A 16 13.972 -12.217 5.131 1.00 0.00 O ATOM 238 CB VAL A 16 15.804 -12.676 2.835 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.800 -13.738 3.266 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.085 -12.224 1.408 1.00 0.00 C ATOM 0 H VAL A 16 13.473 -11.365 2.478 1.00 0.00 H new ATOM 0 HA VAL A 16 14.312 -14.195 2.541 1.00 0.00 H new ATOM 0 HB VAL A 16 15.917 -11.813 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.813 -13.351 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.621 -14.003 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.681 -14.623 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.111 -11.863 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.948 -13.064 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.398 -11.422 1.138 1.00 0.00 H new ATOM 250 N PRO A 17 13.646 -14.441 4.977 1.00 0.00 N ATOM 251 CA PRO A 17 13.232 -14.623 6.379 1.00 0.00 C ATOM 252 C PRO A 17 14.403 -14.507 7.362 1.00 0.00 C ATOM 253 O PRO A 17 14.403 -15.127 8.426 1.00 0.00 O ATOM 254 CB PRO A 17 12.655 -16.051 6.404 1.00 0.00 C ATOM 255 CG PRO A 17 12.593 -16.498 4.981 1.00 0.00 C ATOM 256 CD PRO A 17 13.638 -15.714 4.250 1.00 0.00 C ATOM 0 HA PRO A 17 12.524 -13.854 6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.286 -16.716 6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.665 -16.063 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.783 -17.568 4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.604 -16.317 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.610 -16.206 4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.383 -15.579 3.199 1.00 0.00 H new ATOM 264 N ASN A 18 15.380 -13.687 7.006 1.00 0.00 N ATOM 265 CA ASN A 18 16.589 -13.524 7.803 1.00 0.00 C ATOM 266 C ASN A 18 16.583 -12.194 8.543 1.00 0.00 C ATOM 267 O ASN A 18 17.167 -12.065 9.620 1.00 0.00 O ATOM 268 CB ASN A 18 17.821 -13.563 6.898 1.00 0.00 C ATOM 269 CG ASN A 18 18.100 -14.926 6.297 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.211 -15.764 6.145 1.00 0.00 O ATOM 271 ND2 ASN A 18 19.344 -15.138 5.918 1.00 0.00 N ATOM 0 H ASN A 18 15.359 -13.117 6.160 1.00 0.00 H new ATOM 0 HA ASN A 18 16.620 -14.339 8.526 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.690 -12.841 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 18 18.691 -13.245 7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.600 -16.023 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 18 20.051 -14.417 6.062 1.00 0.00 H new ATOM 278 N THR A 19 15.921 -11.209 7.957 1.00 0.00 N ATOM 279 CA THR A 19 15.988 -9.841 8.442 1.00 0.00 C ATOM 280 C THR A 19 14.693 -9.101 8.111 1.00 0.00 C ATOM 281 O THR A 19 13.785 -9.675 7.504 1.00 0.00 O ATOM 282 CB THR A 19 17.205 -9.114 7.811 1.00 0.00 C ATOM 283 OG1 THR A 19 17.341 -7.781 8.328 1.00 0.00 O ATOM 284 CG2 THR A 19 17.087 -9.067 6.293 1.00 0.00 C ATOM 0 H THR A 19 15.326 -11.334 7.138 1.00 0.00 H new ATOM 0 HA THR A 19 16.112 -9.854 9.525 1.00 0.00 H new ATOM 0 HB THR A 19 18.095 -9.683 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.116 -7.347 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.953 -8.552 5.877 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.045 -10.083 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.179 -8.532 6.015 1.00 0.00 H new ATOM 292 N VAL A 20 14.605 -7.843 8.523 1.00 0.00 N ATOM 293 CA VAL A 20 13.451 -7.017 8.209 1.00 0.00 C ATOM 294 C VAL A 20 13.490 -6.616 6.742 1.00 0.00 C ATOM 295 O VAL A 20 14.444 -5.987 6.283 1.00 0.00 O ATOM 296 CB VAL A 20 13.396 -5.752 9.092 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.199 -4.887 8.726 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.343 -6.133 10.561 1.00 0.00 C ATOM 0 H VAL A 20 15.322 -7.373 9.076 1.00 0.00 H new ATOM 0 HA VAL A 20 12.556 -7.605 8.410 1.00 0.00 H new ATOM 0 HB VAL A 20 14.302 -5.173 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.182 -4.002 9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.276 -4.583 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.281 -5.456 8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.305 -5.230 11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.454 -6.735 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.232 -6.708 10.820 1.00 0.00 H new ATOM 308 N ASN A 21 12.458 -6.988 6.011 1.00 0.00 N ATOM 309 CA ASN A 21 12.411 -6.733 4.583 1.00 0.00 C ATOM 310 C ASN A 21 11.713 -5.413 4.305 1.00 0.00 C ATOM 311 O ASN A 21 10.579 -5.193 4.735 1.00 0.00 O ATOM 312 CB ASN A 21 11.700 -7.877 3.850 1.00 0.00 C ATOM 313 CG ASN A 21 12.483 -9.177 3.897 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.281 -9.475 3.005 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.261 -9.967 4.933 1.00 0.00 N ATOM 0 H ASN A 21 11.639 -7.469 6.382 1.00 0.00 H new ATOM 0 HA ASN A 21 13.434 -6.673 4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.717 -8.033 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.538 -7.592 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.757 -10.855 5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.594 -9.689 5.653 1.00 0.00 H new ATOM 322 N THR A 22 12.403 -4.531 3.604 1.00 0.00 N ATOM 323 CA THR A 22 11.832 -3.255 3.227 1.00 0.00 C ATOM 324 C THR A 22 11.138 -3.392 1.883 1.00 0.00 C ATOM 325 O THR A 22 11.775 -3.343 0.830 1.00 0.00 O ATOM 326 CB THR A 22 12.907 -2.155 3.153 1.00 0.00 C ATOM 327 OG1 THR A 22 13.673 -2.149 4.365 1.00 0.00 O ATOM 328 CG2 THR A 22 12.274 -0.786 2.947 1.00 0.00 C ATOM 0 H THR A 22 13.361 -4.677 3.285 1.00 0.00 H new ATOM 0 HA THR A 22 11.111 -2.963 3.990 1.00 0.00 H new ATOM 0 HB THR A 22 13.557 -2.367 2.304 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.358 -1.450 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.055 -0.027 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.707 -0.784 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.605 -0.565 3.779 1.00 0.00 H new ATOM 336 N MET A 23 9.837 -3.606 1.926 1.00 0.00 N ATOM 337 CA MET A 23 9.070 -3.835 0.717 1.00 0.00 C ATOM 338 C MET A 23 8.410 -2.552 0.258 1.00 0.00 C ATOM 339 O MET A 23 7.852 -1.809 1.061 1.00 0.00 O ATOM 340 CB MET A 23 8.025 -4.922 0.947 1.00 0.00 C ATOM 341 CG MET A 23 8.633 -6.249 1.356 1.00 0.00 C ATOM 342 SD MET A 23 7.399 -7.537 1.566 1.00 0.00 S ATOM 343 CE MET A 23 6.787 -7.684 -0.108 1.00 0.00 C ATOM 0 H MET A 23 9.289 -3.626 2.786 1.00 0.00 H new ATOM 0 HA MET A 23 9.750 -4.171 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.330 -4.593 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.445 -5.060 0.035 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.355 -6.562 0.602 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.182 -6.121 2.289 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.703 -7.567 -0.111 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.237 -6.910 -0.729 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.047 -8.665 -0.506 1.00 0.00 H new ATOM 353 N THR A 24 8.483 -2.300 -1.033 1.00 0.00 N ATOM 354 CA THR A 24 7.965 -1.077 -1.601 1.00 0.00 C ATOM 355 C THR A 24 6.696 -1.347 -2.411 1.00 0.00 C ATOM 356 O THR A 24 6.723 -2.069 -3.414 1.00 0.00 O ATOM 357 CB THR A 24 9.027 -0.408 -2.493 1.00 0.00 C ATOM 358 OG1 THR A 24 10.251 -0.248 -1.756 1.00 0.00 O ATOM 359 CG2 THR A 24 8.552 0.946 -2.986 1.00 0.00 C ATOM 0 H THR A 24 8.901 -2.935 -1.713 1.00 0.00 H new ATOM 0 HA THR A 24 7.715 -0.403 -0.782 1.00 0.00 H new ATOM 0 HB THR A 24 9.198 -1.050 -3.357 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.181 0.535 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.322 1.395 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.638 0.822 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.355 1.595 -2.133 1.00 0.00 H new ATOM 367 N ALA A 25 5.586 -0.787 -1.950 1.00 0.00 N ATOM 368 CA ALA A 25 4.317 -0.893 -2.648 1.00 0.00 C ATOM 369 C ALA A 25 3.983 0.429 -3.326 1.00 0.00 C ATOM 370 O ALA A 25 3.880 1.459 -2.669 1.00 0.00 O ATOM 371 CB ALA A 25 3.211 -1.287 -1.678 1.00 0.00 C ATOM 0 H ALA A 25 5.542 -0.249 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 25 4.398 -1.667 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.266 -1.363 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.449 -2.250 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.125 -0.531 -0.897 1.00 0.00 H new ATOM 377 N THR A 26 3.831 0.407 -4.633 1.00 0.00 N ATOM 378 CA THR A 26 3.527 1.617 -5.379 1.00 0.00 C ATOM 379 C THR A 26 2.027 1.899 -5.350 1.00 0.00 C ATOM 380 O THR A 26 1.237 1.133 -5.896 1.00 0.00 O ATOM 381 CB THR A 26 4.001 1.502 -6.841 1.00 0.00 C ATOM 382 OG1 THR A 26 5.381 1.114 -6.876 1.00 0.00 O ATOM 383 CG2 THR A 26 3.827 2.823 -7.575 1.00 0.00 C ATOM 0 H THR A 26 3.912 -0.434 -5.204 1.00 0.00 H new ATOM 0 HA THR A 26 4.059 2.441 -4.904 1.00 0.00 H new ATOM 0 HB THR A 26 3.393 0.746 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.942 1.876 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.169 2.715 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.774 3.106 -7.570 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.413 3.596 -7.077 1.00 0.00 H new ATOM 391 N ILE A 27 1.638 2.979 -4.687 1.00 0.00 N ATOM 392 CA ILE A 27 0.238 3.381 -4.641 1.00 0.00 C ATOM 393 C ILE A 27 0.016 4.551 -5.586 1.00 0.00 C ATOM 394 O ILE A 27 0.636 5.602 -5.437 1.00 0.00 O ATOM 395 CB ILE A 27 -0.205 3.796 -3.218 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.280 2.784 -2.175 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.723 3.939 -3.154 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.203 1.369 -2.398 1.00 0.00 C ATOM 0 H ILE A 27 2.271 3.592 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.359 2.520 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 27 0.248 4.761 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.370 2.785 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.046 3.114 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.019 4.231 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.047 4.701 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.189 2.987 -3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.189 0.723 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.293 1.349 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.146 1.014 -3.368 1.00 0.00 H new ATOM 410 N GLU A 28 -0.853 4.369 -6.563 1.00 0.00 N ATOM 411 CA GLU A 28 -1.099 5.399 -7.554 1.00 0.00 C ATOM 412 C GLU A 28 -2.538 5.892 -7.470 1.00 0.00 C ATOM 413 O GLU A 28 -3.479 5.098 -7.502 1.00 0.00 O ATOM 414 CB GLU A 28 -0.773 4.866 -8.952 1.00 0.00 C ATOM 415 CG GLU A 28 -1.033 5.859 -10.068 1.00 0.00 C ATOM 416 CD GLU A 28 -0.282 5.518 -11.334 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.900 5.903 -11.444 1.00 0.00 O ATOM 418 OE2 GLU A 28 -0.864 4.867 -12.224 1.00 0.00 O ATOM 0 H GLU A 28 -1.400 3.518 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.448 6.250 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.275 4.569 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.364 3.968 -9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.102 5.890 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.745 6.857 -9.736 1.00 0.00 H new ATOM 425 N ASN A 29 -2.699 7.203 -7.339 1.00 0.00 N ATOM 426 CA ASN A 29 -4.019 7.815 -7.243 1.00 0.00 C ATOM 427 C ASN A 29 -4.533 8.173 -8.631 1.00 0.00 C ATOM 428 O ASN A 29 -4.122 9.174 -9.225 1.00 0.00 O ATOM 429 CB ASN A 29 -3.967 9.057 -6.350 1.00 0.00 C ATOM 430 CG ASN A 29 -5.291 9.795 -6.268 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.363 9.213 -6.432 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.221 11.086 -5.992 1.00 0.00 N ATOM 0 H ASN A 29 -1.926 7.867 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.706 7.099 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.661 8.762 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.203 9.736 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.075 11.637 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.312 11.531 -5.863 1.00 0.00 H new ATOM 439 N GLN A 30 -5.425 7.342 -9.142 1.00 0.00 N ATOM 440 CA GLN A 30 -5.932 7.491 -10.497 1.00 0.00 C ATOM 441 C GLN A 30 -7.335 8.089 -10.480 1.00 0.00 C ATOM 442 O GLN A 30 -8.272 7.536 -11.058 1.00 0.00 O ATOM 443 CB GLN A 30 -5.936 6.132 -11.204 1.00 0.00 C ATOM 444 CG GLN A 30 -4.588 5.427 -11.158 1.00 0.00 C ATOM 445 CD GLN A 30 -4.567 4.134 -11.948 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.589 3.465 -12.102 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.397 3.763 -12.447 1.00 0.00 N ATOM 0 H GLN A 30 -5.817 6.549 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.279 8.171 -11.045 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.689 5.492 -10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.230 6.272 -12.244 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.821 6.096 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.330 5.216 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.572 4.344 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.321 2.896 -12.980 1.00 0.00 H new ATOM 456 N GLY A 31 -7.463 9.230 -9.822 1.00 0.00 N ATOM 457 CA GLY A 31 -8.741 9.902 -9.725 1.00 0.00 C ATOM 458 C GLY A 31 -8.578 11.404 -9.765 1.00 0.00 C ATOM 459 O GLY A 31 -7.464 11.909 -9.649 1.00 0.00 O ATOM 0 H GLY A 31 -6.696 9.707 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.385 9.582 -10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.237 9.613 -8.798 1.00 0.00 H new ATOM 463 N ASN A 32 -9.681 12.124 -9.906 1.00 0.00 N ATOM 464 CA ASN A 32 -9.632 13.573 -10.087 1.00 0.00 C ATOM 465 C ASN A 32 -9.705 14.294 -8.739 1.00 0.00 C ATOM 466 O ASN A 32 -10.443 15.262 -8.573 1.00 0.00 O ATOM 467 CB ASN A 32 -10.775 14.029 -11.004 1.00 0.00 C ATOM 468 CG ASN A 32 -10.669 15.493 -11.407 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.679 16.175 -11.582 1.00 0.00 O ATOM 470 ND2 ASN A 32 -9.447 15.984 -11.570 1.00 0.00 N ATOM 0 H ASN A 32 -10.622 11.731 -9.899 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.682 13.830 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.781 13.411 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.726 13.866 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.321 16.957 -11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.633 15.388 -11.416 1.00 0.00 H new ATOM 477 N LYS A 33 -8.936 13.815 -7.776 1.00 0.00 N ATOM 478 CA LYS A 33 -8.862 14.448 -6.469 1.00 0.00 C ATOM 479 C LYS A 33 -7.609 13.991 -5.739 1.00 0.00 C ATOM 480 O LYS A 33 -7.281 12.805 -5.742 1.00 0.00 O ATOM 481 CB LYS A 33 -10.113 14.127 -5.640 1.00 0.00 C ATOM 482 CG LYS A 33 -10.072 14.671 -4.223 1.00 0.00 C ATOM 483 CD LYS A 33 -9.870 16.175 -4.207 1.00 0.00 C ATOM 484 CE LYS A 33 -9.626 16.681 -2.798 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.143 18.087 -2.787 1.00 0.00 N ATOM 0 H LYS A 33 -8.351 12.985 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.814 15.528 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.987 14.533 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.242 13.045 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.001 14.423 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.265 14.189 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.024 16.438 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.748 16.667 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.549 16.610 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.893 16.042 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.989 18.393 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.249 18.151 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.853 18.702 -3.234 1.00 0.00 H new ATOM 499 N ASP A 34 -6.905 14.933 -5.132 1.00 0.00 N ATOM 500 CA ASP A 34 -5.708 14.617 -4.368 1.00 0.00 C ATOM 501 C ASP A 34 -6.105 14.194 -2.961 1.00 0.00 C ATOM 502 O ASP A 34 -6.815 14.921 -2.264 1.00 0.00 O ATOM 503 CB ASP A 34 -4.762 15.823 -4.311 1.00 0.00 C ATOM 504 CG ASP A 34 -4.508 16.437 -5.676 1.00 0.00 C ATOM 505 OD1 ASP A 34 -4.058 15.718 -6.589 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.780 17.644 -5.848 1.00 0.00 O ATOM 0 H ASP A 34 -7.142 15.925 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.182 13.799 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.185 16.580 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.812 15.514 -3.874 1.00 0.00 H new ATOM 511 N SER A 35 -5.664 13.018 -2.551 1.00 0.00 N ATOM 512 CA SER A 35 -6.055 12.468 -1.261 1.00 0.00 C ATOM 513 C SER A 35 -5.141 12.964 -0.144 1.00 0.00 C ATOM 514 O SER A 35 -3.935 13.135 -0.341 1.00 0.00 O ATOM 515 CB SER A 35 -6.047 10.942 -1.324 1.00 0.00 C ATOM 516 OG SER A 35 -4.871 10.465 -1.952 1.00 0.00 O ATOM 0 H SER A 35 -5.035 12.424 -3.091 1.00 0.00 H new ATOM 0 HA SER A 35 -7.065 12.811 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.117 10.533 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.923 10.593 -1.871 1.00 0.00 H new ATOM 0 HG SER A 35 -4.156 11.128 -1.855 1.00 0.00 H new ATOM 522 N THR A 36 -5.730 13.187 1.023 1.00 0.00 N ATOM 523 CA THR A 36 -5.000 13.668 2.186 1.00 0.00 C ATOM 524 C THR A 36 -4.288 12.514 2.903 1.00 0.00 C ATOM 525 O THR A 36 -4.120 11.434 2.331 1.00 0.00 O ATOM 526 CB THR A 36 -5.963 14.393 3.148 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.164 13.621 3.313 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.318 15.776 2.622 1.00 0.00 C ATOM 0 H THR A 36 -6.726 13.040 1.189 1.00 0.00 H new ATOM 0 HA THR A 36 -4.239 14.373 1.850 1.00 0.00 H new ATOM 0 HB THR A 36 -5.463 14.504 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.770 14.086 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.998 16.267 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.410 16.371 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.800 15.682 1.649 1.00 0.00 H new ATOM 536 N SER A 37 -3.860 12.747 4.144 1.00 0.00 N ATOM 537 CA SER A 37 -3.122 11.747 4.906 1.00 0.00 C ATOM 538 C SER A 37 -3.952 10.485 5.127 1.00 0.00 C ATOM 539 O SER A 37 -4.974 10.508 5.816 1.00 0.00 O ATOM 540 CB SER A 37 -2.689 12.328 6.251 1.00 0.00 C ATOM 541 OG SER A 37 -1.991 13.551 6.073 1.00 0.00 O ATOM 0 H SER A 37 -4.014 13.624 4.642 1.00 0.00 H new ATOM 0 HA SER A 37 -2.240 11.471 4.328 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.564 12.492 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.052 11.613 6.772 1.00 0.00 H new ATOM 0 HG SER A 37 -1.503 13.528 5.224 1.00 0.00 H new ATOM 547 N PHE A 38 -3.494 9.390 4.541 1.00 0.00 N ATOM 548 CA PHE A 38 -4.153 8.102 4.684 1.00 0.00 C ATOM 549 C PHE A 38 -3.133 7.063 5.137 1.00 0.00 C ATOM 550 O PHE A 38 -1.935 7.211 4.888 1.00 0.00 O ATOM 551 CB PHE A 38 -4.809 7.676 3.360 1.00 0.00 C ATOM 552 CG PHE A 38 -3.832 7.394 2.250 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.189 8.430 1.590 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.552 6.092 1.871 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.288 8.169 0.576 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.651 5.831 0.861 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.018 6.864 0.217 1.00 0.00 C ATOM 0 H PHE A 38 -2.659 9.369 3.956 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.940 8.184 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.410 6.784 3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.492 8.461 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.395 9.452 1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.045 5.272 2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.796 8.984 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.443 4.810 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.309 6.656 -0.570 1.00 0.00 H new ATOM 567 N ASN A 39 -3.596 6.024 5.805 1.00 0.00 N ATOM 568 CA ASN A 39 -2.694 4.998 6.312 1.00 0.00 C ATOM 569 C ASN A 39 -2.692 3.780 5.406 1.00 0.00 C ATOM 570 O ASN A 39 -3.738 3.213 5.112 1.00 0.00 O ATOM 571 CB ASN A 39 -3.070 4.584 7.737 1.00 0.00 C ATOM 572 CG ASN A 39 -2.778 5.668 8.756 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.660 5.771 9.261 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.779 6.472 9.078 1.00 0.00 N ATOM 0 H ASN A 39 -4.582 5.865 6.010 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.692 5.426 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.131 4.335 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.522 3.681 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.639 7.210 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.691 6.353 8.636 1.00 0.00 H new ATOM 581 N VAL A 40 -1.513 3.382 4.967 1.00 0.00 N ATOM 582 CA VAL A 40 -1.364 2.203 4.142 1.00 0.00 C ATOM 583 C VAL A 40 -0.708 1.092 4.957 1.00 0.00 C ATOM 584 O VAL A 40 0.452 1.192 5.359 1.00 0.00 O ATOM 585 CB VAL A 40 -0.579 2.517 2.838 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.174 1.308 2.327 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.542 2.986 1.770 1.00 0.00 C ATOM 0 H VAL A 40 -0.638 3.865 5.172 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.350 1.861 3.828 1.00 0.00 H new ATOM 0 HB VAL A 40 0.147 3.296 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.709 1.571 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.887 0.977 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.530 0.503 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.992 3.206 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.276 2.204 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.054 3.886 2.111 1.00 0.00 H new ATOM 597 N SER A 41 -1.484 0.060 5.242 1.00 0.00 N ATOM 598 CA SER A 41 -1.045 -1.016 6.114 1.00 0.00 C ATOM 599 C SER A 41 -0.814 -2.301 5.335 1.00 0.00 C ATOM 600 O SER A 41 -1.575 -2.630 4.423 1.00 0.00 O ATOM 601 CB SER A 41 -2.093 -1.246 7.204 1.00 0.00 C ATOM 602 OG SER A 41 -3.386 -1.397 6.637 1.00 0.00 O ATOM 0 H SER A 41 -2.430 -0.055 4.878 1.00 0.00 H new ATOM 0 HA SER A 41 -0.097 -0.727 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.837 -2.136 7.779 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.092 -0.406 7.899 1.00 0.00 H new ATOM 0 HG SER A 41 -4.041 -1.545 7.351 1.00 0.00 H new ATOM 608 N LEU A 42 0.233 -3.023 5.702 1.00 0.00 N ATOM 609 CA LEU A 42 0.530 -4.301 5.080 1.00 0.00 C ATOM 610 C LEU A 42 0.080 -5.441 5.985 1.00 0.00 C ATOM 611 O LEU A 42 0.602 -5.618 7.090 1.00 0.00 O ATOM 612 CB LEU A 42 2.026 -4.427 4.786 1.00 0.00 C ATOM 613 CG LEU A 42 2.432 -5.706 4.052 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.798 -5.751 2.669 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.945 -5.808 3.953 1.00 0.00 C ATOM 0 H LEU A 42 0.892 -2.744 6.429 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.013 -4.357 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.338 -3.569 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.572 -4.377 5.728 1.00 0.00 H new ATOM 0 HG LEU A 42 2.069 -6.561 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.098 -6.668 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.713 -5.728 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.129 -4.890 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.214 -6.724 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.333 -4.949 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.375 -5.824 4.955 1.00 0.00 H new ATOM 627 N LEU A 43 -0.899 -6.198 5.518 1.00 0.00 N ATOM 628 CA LEU A 43 -1.416 -7.324 6.274 1.00 0.00 C ATOM 629 C LEU A 43 -0.843 -8.627 5.736 1.00 0.00 C ATOM 630 O LEU A 43 -0.927 -8.905 4.543 1.00 0.00 O ATOM 631 CB LEU A 43 -2.950 -7.370 6.226 1.00 0.00 C ATOM 632 CG LEU A 43 -3.671 -6.106 6.714 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.821 -5.093 5.592 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.025 -6.460 7.303 1.00 0.00 C ATOM 0 H LEU A 43 -1.352 -6.052 4.616 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.111 -7.197 7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.257 -7.567 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.289 -8.214 6.827 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.063 -5.650 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.335 -4.208 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.835 -4.811 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.400 -5.532 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.522 -5.552 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.637 -6.945 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.889 -7.138 8.146 1.00 0.00 H new ATOM 646 N VAL A 44 -0.257 -9.414 6.620 1.00 0.00 N ATOM 647 CA VAL A 44 0.314 -10.697 6.252 1.00 0.00 C ATOM 648 C VAL A 44 -0.593 -11.822 6.727 1.00 0.00 C ATOM 649 O VAL A 44 -0.661 -12.110 7.924 1.00 0.00 O ATOM 650 CB VAL A 44 1.725 -10.885 6.852 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.285 -12.257 6.505 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.658 -9.789 6.363 1.00 0.00 C ATOM 0 H VAL A 44 -0.164 -9.183 7.609 1.00 0.00 H new ATOM 0 HA VAL A 44 0.401 -10.723 5.166 1.00 0.00 H new ATOM 0 HB VAL A 44 1.646 -10.817 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.279 -12.365 6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.629 -13.030 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.349 -12.361 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.648 -9.935 6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.726 -9.828 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.269 -8.817 6.668 1.00 0.00 H new ATOM 662 N ASP A 45 -1.324 -12.408 5.784 1.00 0.00 N ATOM 663 CA ASP A 45 -2.218 -13.534 6.059 1.00 0.00 C ATOM 664 C ASP A 45 -3.251 -13.178 7.126 1.00 0.00 C ATOM 665 O ASP A 45 -3.728 -14.046 7.859 1.00 0.00 O ATOM 666 CB ASP A 45 -1.416 -14.770 6.481 1.00 0.00 C ATOM 667 CG ASP A 45 -0.589 -15.340 5.343 1.00 0.00 C ATOM 668 OD1 ASP A 45 0.562 -14.897 5.154 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.086 -16.237 4.629 1.00 0.00 O ATOM 0 H ASP A 45 -1.315 -12.117 4.806 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.754 -13.763 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.757 -14.507 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.100 -15.535 6.848 1.00 0.00 H new ATOM 674 N GLY A 46 -3.598 -11.900 7.200 1.00 0.00 N ATOM 675 CA GLY A 46 -4.609 -11.458 8.138 1.00 0.00 C ATOM 676 C GLY A 46 -4.030 -10.682 9.304 1.00 0.00 C ATOM 677 O GLY A 46 -4.749 -9.959 9.990 1.00 0.00 O ATOM 0 H GLY A 46 -3.195 -11.160 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.334 -10.833 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.150 -12.325 8.517 1.00 0.00 H new ATOM 681 N ILE A 47 -2.733 -10.824 9.533 1.00 0.00 N ATOM 682 CA ILE A 47 -2.083 -10.145 10.649 1.00 0.00 C ATOM 683 C ILE A 47 -1.462 -8.838 10.171 1.00 0.00 C ATOM 684 O ILE A 47 -1.012 -8.737 9.034 1.00 0.00 O ATOM 685 CB ILE A 47 -0.973 -11.012 11.283 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.379 -12.493 11.316 1.00 0.00 C ATOM 687 CG2 ILE A 47 -0.647 -10.522 12.688 1.00 0.00 C ATOM 688 CD1 ILE A 47 -2.628 -12.777 12.128 1.00 0.00 C ATOM 0 H ILE A 47 -2.111 -11.400 8.966 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.849 -9.955 11.401 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.081 -10.918 10.664 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.537 -12.838 10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.553 -13.076 11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.137 -11.145 13.118 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.305 -9.488 12.642 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.540 -10.581 13.310 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.845 -13.845 12.100 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.469 -12.466 13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.468 -12.225 11.708 1.00 0.00 H new ATOM 700 N VAL A 48 -1.423 -7.847 11.037 1.00 0.00 N ATOM 701 CA VAL A 48 -0.857 -6.555 10.678 1.00 0.00 C ATOM 702 C VAL A 48 0.580 -6.457 11.172 1.00 0.00 C ATOM 703 O VAL A 48 0.840 -6.454 12.378 1.00 0.00 O ATOM 704 CB VAL A 48 -1.688 -5.383 11.245 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.060 -4.045 10.887 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.119 -5.447 10.735 1.00 0.00 C ATOM 0 H VAL A 48 -1.774 -7.907 11.993 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.877 -6.480 9.591 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.699 -5.474 12.331 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.665 -3.237 11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.054 -3.992 11.303 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.010 -3.945 9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.689 -4.613 11.145 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.120 -5.387 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.575 -6.387 11.047 1.00 0.00 H new ATOM 716 N VAL A 49 1.514 -6.399 10.238 1.00 0.00 N ATOM 717 CA VAL A 49 2.922 -6.354 10.588 1.00 0.00 C ATOM 718 C VAL A 49 3.450 -4.922 10.594 1.00 0.00 C ATOM 719 O VAL A 49 4.224 -4.546 11.473 1.00 0.00 O ATOM 720 CB VAL A 49 3.778 -7.228 9.641 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.382 -8.691 9.772 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.649 -6.769 8.195 1.00 0.00 C ATOM 0 H VAL A 49 1.323 -6.382 9.236 1.00 0.00 H new ATOM 0 HA VAL A 49 3.006 -6.760 11.596 1.00 0.00 H new ATOM 0 HB VAL A 49 4.822 -7.117 9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.992 -9.295 9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.539 -9.020 10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.330 -8.808 9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.263 -7.404 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.607 -6.839 7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.985 -5.736 8.110 1.00 0.00 H new ATOM 732 N ASP A 50 3.000 -4.116 9.639 1.00 0.00 N ATOM 733 CA ASP A 50 3.506 -2.757 9.497 1.00 0.00 C ATOM 734 C ASP A 50 2.467 -1.855 8.848 1.00 0.00 C ATOM 735 O ASP A 50 1.722 -2.283 7.963 1.00 0.00 O ATOM 736 CB ASP A 50 4.797 -2.756 8.674 1.00 0.00 C ATOM 737 CG ASP A 50 5.443 -1.388 8.600 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.591 -0.739 9.656 1.00 0.00 O ATOM 739 OD2 ASP A 50 5.815 -0.962 7.491 1.00 0.00 O ATOM 0 H ASP A 50 2.290 -4.378 8.955 1.00 0.00 H new ATOM 0 HA ASP A 50 3.721 -2.368 10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.502 -3.463 9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.580 -3.106 7.665 1.00 0.00 H new ATOM 744 N THR A 51 2.417 -0.613 9.302 1.00 0.00 N ATOM 745 CA THR A 51 1.468 0.360 8.792 1.00 0.00 C ATOM 746 C THR A 51 2.162 1.699 8.572 1.00 0.00 C ATOM 747 O THR A 51 2.706 2.286 9.511 1.00 0.00 O ATOM 748 CB THR A 51 0.289 0.546 9.770 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.311 -0.726 10.055 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.759 1.490 9.196 1.00 0.00 C ATOM 0 H THR A 51 3.032 -0.253 10.032 1.00 0.00 H new ATOM 0 HA THR A 51 1.079 -0.011 7.844 1.00 0.00 H new ATOM 0 HB THR A 51 0.677 0.984 10.690 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.058 -0.603 10.677 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.577 1.601 9.908 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.307 2.464 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.144 1.081 8.262 1.00 0.00 H new ATOM 758 N GLN A 52 2.144 2.179 7.340 1.00 0.00 N ATOM 759 CA GLN A 52 2.808 3.423 7.002 1.00 0.00 C ATOM 760 C GLN A 52 1.780 4.531 6.778 1.00 0.00 C ATOM 761 O GLN A 52 0.749 4.314 6.142 1.00 0.00 O ATOM 762 CB GLN A 52 3.675 3.240 5.753 1.00 0.00 C ATOM 763 CG GLN A 52 4.447 4.489 5.373 1.00 0.00 C ATOM 764 CD GLN A 52 5.183 4.366 4.057 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.709 3.315 3.723 1.00 0.00 O ATOM 766 NE2 GLN A 52 5.191 5.437 3.282 1.00 0.00 N ATOM 0 H GLN A 52 1.675 1.724 6.557 1.00 0.00 H new ATOM 0 HA GLN A 52 3.452 3.711 7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.378 2.424 5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.040 2.945 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.756 5.330 5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.164 4.717 6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.741 6.297 3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.647 5.403 2.370 1.00 0.00 H new ATOM 775 N THR A 53 2.062 5.713 7.303 1.00 0.00 N ATOM 776 CA THR A 53 1.165 6.846 7.156 1.00 0.00 C ATOM 777 C THR A 53 1.625 7.736 6.006 1.00 0.00 C ATOM 778 O THR A 53 2.704 8.325 6.060 1.00 0.00 O ATOM 779 CB THR A 53 1.105 7.679 8.451 1.00 0.00 C ATOM 780 OG1 THR A 53 0.885 6.816 9.578 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.008 8.716 8.380 1.00 0.00 C ATOM 0 H THR A 53 2.908 5.912 7.836 1.00 0.00 H new ATOM 0 HA THR A 53 0.169 6.457 6.944 1.00 0.00 H new ATOM 0 HB THR A 53 2.057 8.198 8.566 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.026 6.456 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.029 9.291 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.173 9.387 7.540 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.965 8.213 8.243 1.00 0.00 H new ATOM 789 N VAL A 54 0.817 7.822 4.962 1.00 0.00 N ATOM 790 CA VAL A 54 1.160 8.638 3.811 1.00 0.00 C ATOM 791 C VAL A 54 0.603 10.042 3.993 1.00 0.00 C ATOM 792 O VAL A 54 -0.605 10.217 4.158 1.00 0.00 O ATOM 793 CB VAL A 54 0.619 8.032 2.496 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.138 8.805 1.293 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.986 6.557 2.389 1.00 0.00 C ATOM 0 H VAL A 54 -0.078 7.338 4.889 1.00 0.00 H new ATOM 0 HA VAL A 54 2.247 8.674 3.741 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.468 8.111 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.745 8.361 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.814 9.844 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.227 8.765 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.595 6.152 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.071 6.450 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.555 6.013 3.230 1.00 0.00 H new ATOM 805 N THR A 55 1.491 11.031 3.986 1.00 0.00 N ATOM 806 CA THR A 55 1.108 12.423 4.197 1.00 0.00 C ATOM 807 C THR A 55 0.046 12.872 3.194 1.00 0.00 C ATOM 808 O THR A 55 -0.925 13.537 3.563 1.00 0.00 O ATOM 809 CB THR A 55 2.337 13.349 4.085 1.00 0.00 C ATOM 810 OG1 THR A 55 3.388 12.865 4.931 1.00 0.00 O ATOM 811 CG2 THR A 55 1.984 14.775 4.479 1.00 0.00 C ATOM 0 H THR A 55 2.490 10.892 3.835 1.00 0.00 H new ATOM 0 HA THR A 55 0.689 12.492 5.201 1.00 0.00 H new ATOM 0 HB THR A 55 2.670 13.349 3.047 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.167 13.455 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.868 15.406 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.202 15.152 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.628 14.790 5.509 1.00 0.00 H new ATOM 819 N SER A 56 0.227 12.495 1.935 1.00 0.00 N ATOM 820 CA SER A 56 -0.706 12.866 0.886 1.00 0.00 C ATOM 821 C SER A 56 -0.343 12.153 -0.410 1.00 0.00 C ATOM 822 O SER A 56 0.825 11.836 -0.646 1.00 0.00 O ATOM 823 CB SER A 56 -0.695 14.387 0.678 1.00 0.00 C ATOM 824 OG SER A 56 -1.611 14.786 -0.327 1.00 0.00 O ATOM 0 H SER A 56 1.015 11.931 1.617 1.00 0.00 H new ATOM 0 HA SER A 56 -1.710 12.564 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.944 14.884 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.309 14.709 0.403 1.00 0.00 H new ATOM 0 HG SER A 56 -2.403 14.209 -0.296 1.00 0.00 H new ATOM 830 N LEU A 57 -1.347 11.891 -1.229 1.00 0.00 N ATOM 831 CA LEU A 57 -1.137 11.291 -2.534 1.00 0.00 C ATOM 832 C LEU A 57 -1.944 12.052 -3.574 1.00 0.00 C ATOM 833 O LEU A 57 -3.177 12.041 -3.561 1.00 0.00 O ATOM 834 CB LEU A 57 -1.518 9.805 -2.528 1.00 0.00 C ATOM 835 CG LEU A 57 -1.367 9.083 -3.872 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.023 9.298 -4.450 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.639 7.597 -3.705 1.00 0.00 C ATOM 0 H LEU A 57 -2.324 12.087 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.078 11.354 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.903 9.292 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.553 9.714 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.096 9.501 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.105 8.776 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.192 10.364 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.769 8.909 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.528 7.096 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.930 7.175 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.654 7.452 -3.335 1.00 0.00 H new ATOM 849 N GLU A 58 -1.238 12.729 -4.461 1.00 0.00 N ATOM 850 CA GLU A 58 -1.873 13.587 -5.442 1.00 0.00 C ATOM 851 C GLU A 58 -2.350 12.791 -6.650 1.00 0.00 C ATOM 852 O GLU A 58 -1.925 11.656 -6.878 1.00 0.00 O ATOM 853 CB GLU A 58 -0.907 14.687 -5.877 1.00 0.00 C ATOM 854 CG GLU A 58 -0.378 15.507 -4.713 1.00 0.00 C ATOM 855 CD GLU A 58 0.499 16.655 -5.156 1.00 0.00 C ATOM 856 OE1 GLU A 58 1.655 16.410 -5.553 1.00 0.00 O ATOM 857 OE2 GLU A 58 0.037 17.811 -5.102 1.00 0.00 O ATOM 0 H GLU A 58 -0.220 12.700 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.748 14.042 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.068 14.237 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.412 15.349 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.218 15.898 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.190 14.858 -4.046 1.00 0.00 H new ATOM 864 N SER A 59 -3.246 13.396 -7.407 1.00 0.00 N ATOM 865 CA SER A 59 -3.813 12.781 -8.594 1.00 0.00 C ATOM 866 C SER A 59 -2.747 12.576 -9.669 1.00 0.00 C ATOM 867 O SER A 59 -1.884 13.437 -9.869 1.00 0.00 O ATOM 868 CB SER A 59 -4.962 13.646 -9.118 1.00 0.00 C ATOM 869 OG SER A 59 -4.618 15.027 -9.106 1.00 0.00 O ATOM 0 H SER A 59 -3.603 14.332 -7.216 1.00 0.00 H new ATOM 0 HA SER A 59 -4.202 11.797 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.215 13.341 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.849 13.485 -8.506 1.00 0.00 H new ATOM 0 HG SER A 59 -4.766 15.393 -8.209 1.00 0.00 H new ATOM 875 N GLU A 60 -2.795 11.415 -10.325 1.00 0.00 N ATOM 876 CA GLU A 60 -1.841 11.047 -11.376 1.00 0.00 C ATOM 877 C GLU A 60 -0.445 10.814 -10.799 1.00 0.00 C ATOM 878 O GLU A 60 0.516 10.592 -11.535 1.00 0.00 O ATOM 879 CB GLU A 60 -1.787 12.111 -12.480 1.00 0.00 C ATOM 880 CG GLU A 60 -3.095 12.272 -13.241 1.00 0.00 C ATOM 881 CD GLU A 60 -3.547 10.984 -13.897 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.075 10.683 -15.014 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.371 10.267 -13.297 1.00 0.00 O ATOM 0 H GLU A 60 -3.499 10.700 -10.142 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.192 10.114 -11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.515 13.069 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.997 11.851 -13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.869 12.619 -12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.976 13.042 -14.003 1.00 0.00 H new ATOM 890 N ASN A 61 -0.338 10.858 -9.479 1.00 0.00 N ATOM 891 CA ASN A 61 0.932 10.633 -8.806 1.00 0.00 C ATOM 892 C ASN A 61 0.971 9.242 -8.200 1.00 0.00 C ATOM 893 O ASN A 61 -0.058 8.704 -7.783 1.00 0.00 O ATOM 894 CB ASN A 61 1.174 11.678 -7.711 1.00 0.00 C ATOM 895 CG ASN A 61 1.666 13.017 -8.242 1.00 0.00 C ATOM 896 OD1 ASN A 61 2.433 13.706 -7.575 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.228 13.406 -9.430 1.00 0.00 N ATOM 0 H ASN A 61 -1.119 11.048 -8.851 1.00 0.00 H new ATOM 0 HA ASN A 61 1.722 10.725 -9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.247 11.834 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.905 11.287 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.527 14.301 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.591 12.810 -9.959 1.00 0.00 H new ATOM 904 N SER A 62 2.156 8.661 -8.165 1.00 0.00 N ATOM 905 CA SER A 62 2.349 7.355 -7.567 1.00 0.00 C ATOM 906 C SER A 62 3.375 7.436 -6.441 1.00 0.00 C ATOM 907 O SER A 62 4.504 7.884 -6.643 1.00 0.00 O ATOM 908 CB SER A 62 2.780 6.349 -8.637 1.00 0.00 C ATOM 909 OG SER A 62 3.683 6.938 -9.559 1.00 0.00 O ATOM 0 H SER A 62 3.005 9.078 -8.547 1.00 0.00 H new ATOM 0 HA SER A 62 1.407 7.014 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.251 5.488 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.902 5.980 -9.168 1.00 0.00 H new ATOM 0 HG SER A 62 3.944 6.274 -10.231 1.00 0.00 H new ATOM 915 N THR A 63 2.965 7.029 -5.252 1.00 0.00 N ATOM 916 CA THR A 63 3.832 7.060 -4.090 1.00 0.00 C ATOM 917 C THR A 63 4.328 5.659 -3.757 1.00 0.00 C ATOM 918 O THR A 63 3.537 4.723 -3.614 1.00 0.00 O ATOM 919 CB THR A 63 3.099 7.664 -2.870 1.00 0.00 C ATOM 920 OG1 THR A 63 2.838 9.054 -3.098 1.00 0.00 O ATOM 921 CG2 THR A 63 3.911 7.504 -1.591 1.00 0.00 C ATOM 0 H THR A 63 2.028 6.670 -5.067 1.00 0.00 H new ATOM 0 HA THR A 63 4.688 7.692 -4.327 1.00 0.00 H new ATOM 0 HB THR A 63 2.160 7.124 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.263 9.400 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.364 7.940 -0.756 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.082 6.445 -1.399 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.869 8.012 -1.702 1.00 0.00 H new ATOM 929 N ASN A 64 5.638 5.514 -3.661 1.00 0.00 N ATOM 930 CA ASN A 64 6.239 4.247 -3.294 1.00 0.00 C ATOM 931 C ASN A 64 6.239 4.093 -1.779 1.00 0.00 C ATOM 932 O ASN A 64 6.834 4.897 -1.061 1.00 0.00 O ATOM 933 CB ASN A 64 7.662 4.137 -3.852 1.00 0.00 C ATOM 934 CG ASN A 64 7.681 3.900 -5.352 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.760 3.297 -5.907 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.732 4.354 -6.017 1.00 0.00 N ATOM 0 H ASN A 64 6.308 6.264 -3.834 1.00 0.00 H new ATOM 0 HA ASN A 64 5.648 3.441 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.210 5.052 -3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.183 3.321 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.800 4.209 -7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.474 4.849 -5.522 1.00 0.00 H new ATOM 943 N VAL A 65 5.541 3.078 -1.305 1.00 0.00 N ATOM 944 CA VAL A 65 5.370 2.837 0.118 1.00 0.00 C ATOM 945 C VAL A 65 6.388 1.828 0.625 1.00 0.00 C ATOM 946 O VAL A 65 6.376 0.671 0.209 1.00 0.00 O ATOM 947 CB VAL A 65 3.947 2.315 0.403 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.703 2.140 1.888 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.919 3.244 -0.207 1.00 0.00 C ATOM 0 H VAL A 65 5.074 2.393 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 65 5.523 3.782 0.639 1.00 0.00 H new ATOM 0 HB VAL A 65 3.850 1.332 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.690 1.771 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.419 1.424 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.824 3.099 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.918 2.866 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.027 4.239 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.071 3.297 -1.285 1.00 0.00 H new ATOM 959 N ASP A 66 7.265 2.265 1.511 1.00 0.00 N ATOM 960 CA ASP A 66 8.301 1.396 2.053 1.00 0.00 C ATOM 961 C ASP A 66 7.865 0.825 3.388 1.00 0.00 C ATOM 962 O ASP A 66 7.832 1.533 4.395 1.00 0.00 O ATOM 963 CB ASP A 66 9.620 2.148 2.237 1.00 0.00 C ATOM 964 CG ASP A 66 10.166 2.710 0.947 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.585 1.919 0.071 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.201 3.954 0.808 1.00 0.00 O ATOM 0 H ASP A 66 7.283 3.218 1.873 1.00 0.00 H new ATOM 0 HA ASP A 66 8.456 0.588 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.471 2.962 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.357 1.475 2.674 1.00 0.00 H new ATOM 971 N PHE A 67 7.555 -0.456 3.404 1.00 0.00 N ATOM 972 CA PHE A 67 7.136 -1.113 4.626 1.00 0.00 C ATOM 973 C PHE A 67 8.339 -1.703 5.340 1.00 0.00 C ATOM 974 O PHE A 67 9.360 -2.005 4.718 1.00 0.00 O ATOM 975 CB PHE A 67 6.150 -2.248 4.342 1.00 0.00 C ATOM 976 CG PHE A 67 4.850 -1.821 3.731 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.964 -1.023 4.435 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.506 -2.242 2.457 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.759 -0.650 3.876 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.302 -1.876 1.897 1.00 0.00 C ATOM 981 CZ PHE A 67 2.427 -1.079 2.606 1.00 0.00 C ATOM 0 H PHE A 67 7.585 -1.063 2.585 1.00 0.00 H new ATOM 0 HA PHE A 67 6.650 -0.360 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.628 -2.966 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.941 -2.769 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.218 -0.690 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.189 -2.864 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.076 -0.023 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.043 -2.213 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.483 -0.791 2.168 1.00 0.00 H new ATOM 991 N HIS A 68 8.212 -1.862 6.641 1.00 0.00 N ATOM 992 CA HIS A 68 9.251 -2.482 7.444 1.00 0.00 C ATOM 993 C HIS A 68 8.720 -3.789 8.014 1.00 0.00 C ATOM 994 O HIS A 68 8.152 -3.818 9.107 1.00 0.00 O ATOM 995 CB HIS A 68 9.707 -1.545 8.572 1.00 0.00 C ATOM 996 CG HIS A 68 10.238 -0.228 8.085 1.00 0.00 C ATOM 997 ND1 HIS A 68 11.580 0.083 8.057 1.00 0.00 N ATOM 998 CD2 HIS A 68 9.594 0.860 7.597 1.00 0.00 C ATOM 999 CE1 HIS A 68 11.738 1.300 7.571 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.549 1.794 7.283 1.00 0.00 N ATOM 0 H HIS A 68 7.392 -1.568 7.171 1.00 0.00 H new ATOM 0 HA HIS A 68 10.118 -2.683 6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.867 -1.363 9.243 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.479 -2.044 9.157 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.526 0.971 7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.682 1.806 7.432 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.369 2.718 6.891 1.00 0.00 H new ATOM 1009 N TRP A 69 8.883 -4.863 7.253 1.00 0.00 N ATOM 1010 CA TRP A 69 8.283 -6.139 7.607 1.00 0.00 C ATOM 1011 C TRP A 69 9.286 -7.053 8.302 1.00 0.00 C ATOM 1012 O TRP A 69 10.248 -7.530 7.692 1.00 0.00 O ATOM 1013 CB TRP A 69 7.698 -6.822 6.358 1.00 0.00 C ATOM 1014 CG TRP A 69 7.183 -8.215 6.609 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.720 -8.720 7.791 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.067 -9.278 5.652 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.358 -10.034 7.637 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.554 -10.399 6.333 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.356 -9.396 4.287 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.323 -11.615 5.698 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.120 -10.603 3.662 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.614 -11.698 4.364 1.00 0.00 C ATOM 0 H TRP A 69 9.425 -4.875 6.389 1.00 0.00 H new ATOM 0 HA TRP A 69 7.473 -5.945 8.310 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.885 -6.209 5.968 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.465 -6.863 5.585 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.649 -8.164 8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.001 -10.641 8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.756 -8.559 3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.928 -12.463 6.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.331 -10.703 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.449 -12.630 3.843 1.00 0.00 H new ATOM 1033 N THR A 70 9.050 -7.280 9.583 1.00 0.00 N ATOM 1034 CA THR A 70 9.786 -8.269 10.340 1.00 0.00 C ATOM 1035 C THR A 70 9.103 -9.618 10.150 1.00 0.00 C ATOM 1036 O THR A 70 7.933 -9.775 10.503 1.00 0.00 O ATOM 1037 CB THR A 70 9.824 -7.903 11.833 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.139 -6.510 11.977 1.00 0.00 O ATOM 1039 CG2 THR A 70 10.858 -8.739 12.573 1.00 0.00 C ATOM 0 H THR A 70 8.343 -6.783 10.124 1.00 0.00 H new ATOM 0 HA THR A 70 10.815 -8.309 9.983 1.00 0.00 H new ATOM 0 HB THR A 70 8.844 -8.108 12.264 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.162 -6.276 12.928 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.865 -8.460 13.627 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.607 -9.795 12.479 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.844 -8.561 12.144 1.00 0.00 H new ATOM 1047 N LEU A 71 9.827 -10.575 9.583 1.00 0.00 N ATOM 1048 CA LEU A 71 9.224 -11.820 9.110 1.00 0.00 C ATOM 1049 C LEU A 71 8.438 -12.540 10.204 1.00 0.00 C ATOM 1050 O LEU A 71 7.340 -13.040 9.950 1.00 0.00 O ATOM 1051 CB LEU A 71 10.295 -12.745 8.532 1.00 0.00 C ATOM 1052 CG LEU A 71 9.977 -13.297 7.142 1.00 0.00 C ATOM 1053 CD1 LEU A 71 8.592 -13.913 7.120 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.093 -12.205 6.088 1.00 0.00 C ATOM 0 H LEU A 71 10.835 -10.515 9.438 1.00 0.00 H new ATOM 0 HA LEU A 71 8.515 -11.554 8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.239 -12.202 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.442 -13.581 9.216 1.00 0.00 H new ATOM 0 HG LEU A 71 10.705 -14.074 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.382 -14.301 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.544 -14.727 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.852 -13.155 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.863 -12.620 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.391 -11.403 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.108 -11.809 6.085 1.00 0.00 H new ATOM 1066 N ASP A 72 9.015 -12.607 11.402 1.00 0.00 N ATOM 1067 CA ASP A 72 8.342 -13.193 12.573 1.00 0.00 C ATOM 1068 C ASP A 72 8.236 -14.722 12.440 1.00 0.00 C ATOM 1069 O ASP A 72 7.670 -15.405 13.294 1.00 0.00 O ATOM 1070 CB ASP A 72 6.957 -12.538 12.757 1.00 0.00 C ATOM 1071 CG ASP A 72 6.140 -13.114 13.899 1.00 0.00 C ATOM 1072 OD1 ASP A 72 6.541 -12.960 15.070 1.00 0.00 O ATOM 1073 OD2 ASP A 72 5.078 -13.718 13.623 1.00 0.00 O ATOM 0 H ASP A 72 9.955 -12.261 11.594 1.00 0.00 H new ATOM 0 HA ASP A 72 8.937 -12.993 13.464 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.093 -11.470 12.926 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.392 -12.645 11.831 1.00 0.00 H new ATOM 1078 N GLY A 73 8.823 -15.256 11.379 1.00 0.00 N ATOM 1079 CA GLY A 73 8.798 -16.687 11.151 1.00 0.00 C ATOM 1080 C GLY A 73 9.512 -17.070 9.872 1.00 0.00 C ATOM 1081 O GLY A 73 10.348 -16.313 9.369 1.00 0.00 O ATOM 0 H GLY A 73 9.319 -14.720 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.265 -17.197 11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.764 -17.029 11.105 1.00 0.00 H new ATOM 1085 N THR A 74 9.191 -18.244 9.345 1.00 0.00 N ATOM 1086 CA THR A 74 9.766 -18.718 8.096 1.00 0.00 C ATOM 1087 C THR A 74 8.832 -19.723 7.430 1.00 0.00 C ATOM 1088 O THR A 74 8.832 -20.911 7.762 1.00 0.00 O ATOM 1089 CB THR A 74 11.157 -19.364 8.298 1.00 0.00 C ATOM 1090 OG1 THR A 74 12.059 -18.421 8.893 1.00 0.00 O ATOM 1091 CG2 THR A 74 11.737 -19.840 6.970 1.00 0.00 C ATOM 0 H THR A 74 8.527 -18.891 9.770 1.00 0.00 H new ATOM 0 HA THR A 74 9.892 -17.846 7.454 1.00 0.00 H new ATOM 0 HB THR A 74 11.033 -20.223 8.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.612 -17.554 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.715 -20.290 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 74 11.070 -20.579 6.526 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.841 -18.992 6.293 1.00 0.00 H new ATOM 1099 N ALA A 75 8.013 -19.224 6.521 1.00 0.00 N ATOM 1100 CA ALA A 75 7.123 -20.057 5.731 1.00 0.00 C ATOM 1101 C ALA A 75 7.573 -20.028 4.277 1.00 0.00 C ATOM 1102 O ALA A 75 8.465 -19.259 3.928 1.00 0.00 O ATOM 1103 CB ALA A 75 5.688 -19.571 5.864 1.00 0.00 C ATOM 0 H ALA A 75 7.946 -18.228 6.309 1.00 0.00 H new ATOM 0 HA ALA A 75 7.163 -21.083 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.032 -20.205 5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.384 -19.617 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.618 -18.542 5.511 1.00 0.00 H new ATOM 1109 N ASN A 76 6.977 -20.852 3.428 1.00 0.00 N ATOM 1110 CA ASN A 76 7.386 -20.894 2.027 1.00 0.00 C ATOM 1111 C ASN A 76 6.779 -19.725 1.257 1.00 0.00 C ATOM 1112 O ASN A 76 7.383 -19.211 0.312 1.00 0.00 O ATOM 1113 CB ASN A 76 7.004 -22.233 1.375 1.00 0.00 C ATOM 1114 CG ASN A 76 5.533 -22.337 1.014 1.00 0.00 C ATOM 1115 OD1 ASN A 76 4.698 -22.694 1.846 1.00 0.00 O ATOM 1116 ND2 ASN A 76 5.207 -22.050 -0.237 1.00 0.00 N ATOM 0 H ASN A 76 6.222 -21.491 3.676 1.00 0.00 H new ATOM 0 HA ASN A 76 8.472 -20.805 1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.601 -22.372 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.261 -23.045 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.236 -22.121 -0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.927 -21.758 -0.897 1.00 0.00 H new ATOM 1123 N SER A 77 5.605 -19.286 1.695 1.00 0.00 N ATOM 1124 CA SER A 77 4.898 -18.198 1.038 1.00 0.00 C ATOM 1125 C SER A 77 4.042 -17.439 2.046 1.00 0.00 C ATOM 1126 O SER A 77 3.704 -17.976 3.101 1.00 0.00 O ATOM 1127 CB SER A 77 4.026 -18.747 -0.092 1.00 0.00 C ATOM 1128 OG SER A 77 3.101 -19.708 0.392 1.00 0.00 O ATOM 0 H SER A 77 5.122 -19.671 2.507 1.00 0.00 H new ATOM 0 HA SER A 77 5.628 -17.508 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.487 -17.928 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.659 -19.200 -0.855 1.00 0.00 H new ATOM 0 HG SER A 77 2.556 -20.041 -0.351 1.00 0.00 H new ATOM 1134 N TYR A 78 3.708 -16.194 1.725 1.00 0.00 N ATOM 1135 CA TYR A 78 2.903 -15.358 2.610 1.00 0.00 C ATOM 1136 C TYR A 78 1.842 -14.607 1.815 1.00 0.00 C ATOM 1137 O TYR A 78 2.031 -14.317 0.634 1.00 0.00 O ATOM 1138 CB TYR A 78 3.789 -14.351 3.348 1.00 0.00 C ATOM 1139 CG TYR A 78 5.021 -14.965 3.966 1.00 0.00 C ATOM 1140 CD1 TYR A 78 4.980 -15.530 5.232 1.00 0.00 C ATOM 1141 CD2 TYR A 78 6.224 -14.985 3.274 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.105 -16.100 5.790 1.00 0.00 C ATOM 1143 CE2 TYR A 78 7.351 -15.551 3.825 1.00 0.00 C ATOM 1144 CZ TYR A 78 7.289 -16.107 5.082 1.00 0.00 C ATOM 1145 OH TYR A 78 8.417 -16.672 5.635 1.00 0.00 O ATOM 0 H TYR A 78 3.983 -15.739 0.855 1.00 0.00 H new ATOM 0 HA TYR A 78 2.415 -16.008 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.094 -13.570 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.202 -13.869 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.054 -15.523 5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.277 -14.549 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.059 -16.539 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.279 -15.559 3.273 1.00 0.00 H new ATOM 0 HH TYR A 78 9.164 -16.594 5.005 1.00 0.00 H new ATOM 1155 N THR A 79 0.736 -14.283 2.464 1.00 0.00 N ATOM 1156 CA THR A 79 -0.344 -13.568 1.808 1.00 0.00 C ATOM 1157 C THR A 79 -0.333 -12.100 2.223 1.00 0.00 C ATOM 1158 O THR A 79 -0.966 -11.716 3.206 1.00 0.00 O ATOM 1159 CB THR A 79 -1.715 -14.186 2.148 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.632 -15.617 2.104 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.782 -13.714 1.173 1.00 0.00 C ATOM 0 H THR A 79 0.563 -14.504 3.445 1.00 0.00 H new ATOM 0 HA THR A 79 -0.187 -13.647 0.732 1.00 0.00 H new ATOM 0 HB THR A 79 -1.991 -13.864 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.366 -15.956 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.739 -14.165 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.866 -12.628 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.507 -14.010 0.161 1.00 0.00 H new ATOM 1169 N LEU A 80 0.400 -11.282 1.483 1.00 0.00 N ATOM 1170 CA LEU A 80 0.554 -9.880 1.839 1.00 0.00 C ATOM 1171 C LEU A 80 -0.492 -9.021 1.151 1.00 0.00 C ATOM 1172 O LEU A 80 -0.598 -9.004 -0.072 1.00 0.00 O ATOM 1173 CB LEU A 80 1.959 -9.384 1.496 1.00 0.00 C ATOM 1174 CG LEU A 80 2.985 -9.513 2.622 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.130 -10.956 3.074 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.323 -8.961 2.173 1.00 0.00 C ATOM 0 H LEU A 80 0.895 -11.563 0.637 1.00 0.00 H new ATOM 0 HA LEU A 80 0.409 -9.794 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.322 -9.938 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.896 -8.337 1.201 1.00 0.00 H new ATOM 0 HG LEU A 80 2.629 -8.933 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.867 -11.014 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.170 -11.322 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.458 -11.569 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.047 -9.058 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.674 -9.518 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.213 -7.909 1.909 1.00 0.00 H new ATOM 1188 N THR A 81 -1.260 -8.312 1.951 1.00 0.00 N ATOM 1189 CA THR A 81 -2.307 -7.452 1.441 1.00 0.00 C ATOM 1190 C THR A 81 -2.070 -6.009 1.864 1.00 0.00 C ATOM 1191 O THR A 81 -2.000 -5.704 3.054 1.00 0.00 O ATOM 1192 CB THR A 81 -3.693 -7.910 1.936 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.919 -9.276 1.555 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.800 -7.032 1.364 1.00 0.00 C ATOM 0 H THR A 81 -1.177 -8.315 2.968 1.00 0.00 H new ATOM 0 HA THR A 81 -2.284 -7.517 0.353 1.00 0.00 H new ATOM 0 HB THR A 81 -3.711 -7.822 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.441 -9.302 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.766 -7.379 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.643 -5.999 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.784 -7.089 0.276 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.920 -5.134 0.886 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.798 -3.711 1.152 1.00 0.00 C ATOM 1204 C VAL A 82 -3.184 -3.093 1.259 1.00 0.00 C ATOM 1205 O VAL A 82 -3.897 -2.987 0.262 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.999 -2.987 0.045 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.915 -1.494 0.326 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.393 -3.580 -0.086 1.00 0.00 C ATOM 0 H VAL A 82 -1.880 -5.384 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.257 -3.592 2.091 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.526 -3.129 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.348 -1.006 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.920 -1.074 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.417 -1.331 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.939 -3.056 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.925 -3.473 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.316 -4.637 -0.341 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.580 -2.734 2.472 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.867 -2.085 2.682 1.00 0.00 C ATOM 1220 C ASN A 83 -4.694 -0.574 2.711 1.00 0.00 C ATOM 1221 O ASN A 83 -4.048 -0.030 3.612 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.522 -2.558 3.982 1.00 0.00 C ATOM 1223 CG ASN A 83 -6.929 -2.009 4.152 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.902 -2.621 3.712 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.048 -0.857 4.797 1.00 0.00 N ATOM 0 H ASN A 83 -3.033 -2.880 3.321 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.519 -2.358 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.556 -3.647 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.909 -2.249 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.971 -0.448 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.217 -0.380 5.147 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.257 0.090 1.719 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.181 1.534 1.615 1.00 0.00 C ATOM 1234 C VAL A 84 -6.292 2.191 2.431 1.00 0.00 C ATOM 1235 O VAL A 84 -7.473 2.053 2.117 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.246 1.981 0.136 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.265 3.496 0.012 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.069 1.404 -0.637 1.00 0.00 C ATOM 0 H VAL A 84 -5.779 -0.356 0.964 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.223 1.856 2.023 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.175 1.601 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.311 3.774 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.138 3.893 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.360 3.909 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.124 1.725 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.136 1.758 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.102 0.315 -0.591 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.876 2.857 3.509 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.761 3.597 4.416 1.00 0.00 C ATOM 1250 C ASP A 85 -7.769 2.684 5.113 1.00 0.00 C ATOM 1251 O ASP A 85 -8.832 2.374 4.578 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.488 4.744 3.706 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.241 5.630 4.686 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.101 5.423 5.914 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.974 6.533 4.239 1.00 0.00 O ATOM 0 H ASP A 85 -4.895 2.899 3.784 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.113 4.028 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.766 5.345 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.186 4.335 2.976 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.440 2.242 6.337 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.334 1.444 7.162 1.00 0.00 C ATOM 1262 C PRO A 86 -9.292 2.318 7.972 1.00 0.00 C ATOM 1263 O PRO A 86 -10.095 1.814 8.760 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.379 0.683 8.099 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.001 1.212 7.826 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.164 2.467 7.013 1.00 0.00 C ATOM 0 HA PRO A 86 -8.970 0.790 6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.654 0.838 9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.426 -0.390 7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.477 1.422 8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.406 0.477 7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.189 3.357 7.641 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.347 2.600 6.304 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.194 3.630 7.786 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.045 4.572 8.503 1.00 0.00 C ATOM 1276 C GLU A 87 -11.209 5.005 7.618 1.00 0.00 C ATOM 1277 O GLU A 87 -12.236 5.479 8.112 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.230 5.796 8.940 1.00 0.00 C ATOM 1279 CG GLU A 87 -10.012 6.784 9.791 1.00 0.00 C ATOM 1280 CD GLU A 87 -9.212 8.020 10.145 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -8.425 7.966 11.111 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -9.376 9.057 9.466 1.00 0.00 O ATOM 0 H GLU A 87 -8.532 4.066 7.143 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.442 4.080 9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.358 5.459 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.859 6.309 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.914 7.082 9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.334 6.291 10.708 1.00 0.00 H new ATOM 1289 N ASN A 88 -11.037 4.828 6.308 1.00 0.00 N ATOM 1290 CA ASN A 88 -12.043 5.218 5.320 1.00 0.00 C ATOM 1291 C ASN A 88 -12.226 6.728 5.324 1.00 0.00 C ATOM 1292 O ASN A 88 -13.321 7.239 5.083 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.384 4.517 5.576 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.339 3.037 5.254 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -12.983 2.217 6.100 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -13.713 2.681 4.034 1.00 0.00 N ATOM 0 H ASN A 88 -10.199 4.411 5.903 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.687 4.905 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.665 4.649 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.159 4.992 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.713 1.696 3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -14.001 3.391 3.361 1.00 0.00 H new ATOM 1303 N ALA A 89 -11.134 7.433 5.584 1.00 0.00 N ATOM 1304 CA ALA A 89 -11.134 8.882 5.565 1.00 0.00 C ATOM 1305 C ALA A 89 -11.207 9.367 4.130 1.00 0.00 C ATOM 1306 O ALA A 89 -11.871 10.358 3.822 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.883 9.420 6.246 1.00 0.00 C ATOM 0 H ALA A 89 -10.231 7.017 5.812 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.003 9.249 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.897 10.510 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.856 9.078 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.999 9.058 5.721 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.530 8.643 3.255 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.530 8.951 1.840 1.00 0.00 C ATOM 1315 C VAL A 90 -11.563 8.095 1.115 1.00 0.00 C ATOM 1316 O VAL A 90 -11.483 6.868 1.128 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.139 8.712 1.215 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.126 9.132 -0.246 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -8.062 9.448 2.002 1.00 0.00 C ATOM 0 H VAL A 90 -9.968 7.830 3.506 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.784 10.005 1.730 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.922 7.645 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.136 8.955 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.864 8.551 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.368 10.192 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.089 9.266 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.273 10.517 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.053 9.087 3.031 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.547 8.744 0.514 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.543 8.039 -0.283 1.00 0.00 C ATOM 1331 C ASN A 91 -13.020 7.864 -1.700 1.00 0.00 C ATOM 1332 O ASN A 91 -12.472 8.801 -2.280 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.865 8.808 -0.304 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.957 8.067 -1.051 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.997 6.836 -1.066 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.852 8.813 -1.674 1.00 0.00 N ATOM 0 H ASN A 91 -12.679 9.754 0.561 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.726 7.062 0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.191 8.992 0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.708 9.781 -0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.612 8.372 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.783 9.830 -1.637 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.188 6.679 -2.257 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.575 6.357 -3.534 1.00 0.00 C ATOM 1345 C GLU A 92 -13.604 6.100 -4.621 1.00 0.00 C ATOM 1346 O GLU A 92 -14.773 5.829 -4.343 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.683 5.135 -3.395 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.581 5.300 -2.371 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.626 4.136 -2.386 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -8.890 4.005 -3.383 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.611 3.358 -1.412 1.00 0.00 O ATOM 0 H GLU A 92 -13.741 5.926 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.984 7.224 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.297 4.277 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.236 4.910 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.034 6.222 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.019 5.398 -1.378 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.142 6.227 -5.863 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.924 5.863 -7.028 1.00 0.00 C ATOM 1360 C GLY A 93 -14.361 4.412 -7.003 1.00 0.00 C ATOM 1361 O GLY A 93 -15.345 4.060 -6.353 1.00 0.00 O ATOM 0 H GLY A 93 -12.213 6.586 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.804 6.503 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.337 6.047 -7.928 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.652 3.576 -7.747 1.00 0.00 N ATOM 1366 CA ASN A 94 -13.968 2.155 -7.814 1.00 0.00 C ATOM 1367 C ASN A 94 -13.674 1.483 -6.476 1.00 0.00 C ATOM 1368 O ASN A 94 -12.535 1.117 -6.195 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.166 1.482 -8.933 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.435 -0.007 -9.035 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.512 -0.483 -8.679 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -12.463 -0.756 -9.535 1.00 0.00 N ATOM 0 H ASN A 94 -12.852 3.857 -8.314 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.030 2.046 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.409 1.956 -9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.102 1.643 -8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.595 -1.762 -9.635 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.583 -0.326 -9.820 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.707 1.333 -5.650 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.549 0.774 -4.312 1.00 0.00 C ATOM 1381 C GLU A 95 -14.321 -0.736 -4.389 1.00 0.00 C ATOM 1382 O GLU A 95 -15.245 -1.536 -4.224 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.775 1.116 -3.452 1.00 0.00 C ATOM 1384 CG GLU A 95 -15.545 1.015 -1.947 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.797 -0.372 -1.388 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -16.976 -0.704 -1.133 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -14.826 -1.127 -1.181 1.00 0.00 O ATOM 0 H GLU A 95 -15.665 1.592 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.672 1.216 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.097 2.130 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.592 0.449 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.519 1.307 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.196 1.726 -1.439 1.00 0.00 H new ATOM 1394 N SER A 96 -13.086 -1.092 -4.714 1.00 0.00 N ATOM 1395 CA SER A 96 -12.639 -2.481 -4.777 1.00 0.00 C ATOM 1396 C SER A 96 -11.160 -2.506 -5.165 1.00 0.00 C ATOM 1397 O SER A 96 -10.654 -3.493 -5.696 1.00 0.00 O ATOM 1398 CB SER A 96 -13.475 -3.261 -5.806 1.00 0.00 C ATOM 1399 OG SER A 96 -13.202 -4.652 -5.760 1.00 0.00 O ATOM 0 H SER A 96 -12.356 -0.418 -4.944 1.00 0.00 H new ATOM 0 HA SER A 96 -12.769 -2.954 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.535 -3.092 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.266 -2.882 -6.806 1.00 0.00 H new ATOM 0 HG SER A 96 -12.233 -4.794 -5.722 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.467 -1.419 -4.859 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.113 -1.201 -5.347 1.00 0.00 C ATOM 1407 C ASN A 97 -8.114 -1.095 -4.201 1.00 0.00 C ATOM 1408 O ASN A 97 -6.949 -1.447 -4.359 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.064 0.090 -6.172 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.461 1.305 -5.349 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.301 1.210 -4.450 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -8.870 2.445 -5.641 1.00 0.00 N ATOM 0 H ASN A 97 -10.824 -0.667 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.840 -2.057 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.057 0.231 -6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.731 -0.002 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.102 3.289 -5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.180 2.484 -6.391 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.589 -0.639 -3.045 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.716 -0.277 -1.925 1.00 0.00 C ATOM 1421 C ASN A 98 -7.030 -1.486 -1.293 1.00 0.00 C ATOM 1422 O ASN A 98 -6.274 -1.344 -0.335 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.512 0.477 -0.852 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.430 -0.420 -0.039 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.962 -1.420 -0.537 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.613 -0.070 1.225 1.00 0.00 N ATOM 0 H ASN A 98 -9.583 -0.510 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.936 0.365 -2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.816 0.978 -0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.107 1.254 -1.331 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.212 -0.633 1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.155 0.763 1.595 1.00 0.00 H new ATOM 1433 N THR A 99 -7.288 -2.671 -1.814 1.00 0.00 N ATOM 1434 CA THR A 99 -6.658 -3.866 -1.296 1.00 0.00 C ATOM 1435 C THR A 99 -5.833 -4.571 -2.365 1.00 0.00 C ATOM 1436 O THR A 99 -6.354 -4.988 -3.400 1.00 0.00 O ATOM 1437 CB THR A 99 -7.696 -4.835 -0.710 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.935 -4.718 -1.425 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.926 -4.553 0.767 1.00 0.00 C ATOM 0 H THR A 99 -7.927 -2.829 -2.593 1.00 0.00 H new ATOM 0 HA THR A 99 -5.987 -3.551 -0.497 1.00 0.00 H new ATOM 0 HB THR A 99 -7.313 -5.850 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.591 -5.340 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.665 -5.251 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.989 -4.672 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.290 -3.533 0.890 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.539 -4.672 -2.114 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.631 -5.383 -3.002 1.00 0.00 C ATOM 1449 C LEU A 100 -3.133 -6.645 -2.323 1.00 0.00 C ATOM 1450 O LEU A 100 -2.238 -6.592 -1.479 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.438 -4.502 -3.388 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.347 -5.193 -4.213 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.806 -5.427 -5.645 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.068 -4.375 -4.183 1.00 0.00 C ATOM 0 H LEU A 100 -4.088 -4.266 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.175 -5.644 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.808 -3.646 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.987 -4.112 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.147 -6.167 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.011 -5.919 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.694 -6.059 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.042 -4.471 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.699 -4.877 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.258 -3.387 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.275 -4.273 -3.153 1.00 0.00 H new ATOM 1466 N THR A 101 -3.726 -7.770 -2.668 1.00 0.00 N ATOM 1467 CA THR A 101 -3.314 -9.040 -2.107 1.00 0.00 C ATOM 1468 C THR A 101 -2.295 -9.709 -3.019 1.00 0.00 C ATOM 1469 O THR A 101 -2.642 -10.333 -4.025 1.00 0.00 O ATOM 1470 CB THR A 101 -4.518 -9.973 -1.864 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.427 -9.354 -0.940 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.068 -11.318 -1.308 1.00 0.00 C ATOM 0 H THR A 101 -4.495 -7.830 -3.335 1.00 0.00 H new ATOM 0 HA THR A 101 -2.852 -8.845 -1.139 1.00 0.00 H new ATOM 0 HB THR A 101 -5.015 -10.145 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.192 -9.947 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.938 -11.955 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.394 -11.798 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.550 -11.165 -0.361 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.034 -9.532 -2.676 1.00 0.00 N ATOM 1481 CA ALA A 102 0.055 -10.125 -3.420 1.00 0.00 C ATOM 1482 C ALA A 102 0.667 -11.253 -2.613 1.00 0.00 C ATOM 1483 O ALA A 102 1.207 -11.035 -1.527 1.00 0.00 O ATOM 1484 CB ALA A 102 1.105 -9.078 -3.760 1.00 0.00 C ATOM 0 H ALA A 102 -0.738 -8.974 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.332 -10.528 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.916 -9.544 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.652 -8.292 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.500 -8.647 -2.840 1.00 0.00 H new ATOM 1490 N LEU A 103 0.558 -12.462 -3.129 1.00 0.00 N ATOM 1491 CA LEU A 103 1.102 -13.619 -2.451 1.00 0.00 C ATOM 1492 C LEU A 103 2.604 -13.672 -2.685 1.00 0.00 C ATOM 1493 O LEU A 103 3.068 -14.068 -3.753 1.00 0.00 O ATOM 1494 CB LEU A 103 0.410 -14.891 -2.950 1.00 0.00 C ATOM 1495 CG LEU A 103 0.474 -16.095 -2.004 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.584 -17.112 -2.381 1.00 0.00 C ATOM 1497 CD2 LEU A 103 1.846 -16.747 -2.031 1.00 0.00 C ATOM 0 H LEU A 103 0.097 -12.667 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 103 0.921 -13.545 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.637 -14.660 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.857 -15.176 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 103 0.287 -15.735 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.529 -17.963 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.571 -16.654 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.415 -17.452 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.858 -17.597 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.066 -17.089 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.599 -16.023 -1.721 1.00 0.00 H new ATOM 1509 N VAL A 104 3.354 -13.246 -1.687 1.00 0.00 N ATOM 1510 CA VAL A 104 4.798 -13.168 -1.803 1.00 0.00 C ATOM 1511 C VAL A 104 5.433 -14.471 -1.345 1.00 0.00 C ATOM 1512 O VAL A 104 4.822 -15.246 -0.606 1.00 0.00 O ATOM 1513 CB VAL A 104 5.389 -11.988 -0.991 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.809 -10.663 -1.451 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.161 -12.168 0.498 1.00 0.00 C ATOM 0 H VAL A 104 2.986 -12.948 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 104 5.026 -12.994 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 104 6.464 -11.980 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.242 -9.853 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.041 -10.511 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.728 -10.672 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.588 -11.322 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.091 -12.222 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.640 -13.089 0.831 1.00 0.00 H new ATOM 1525 N GLY A 105 6.651 -14.712 -1.784 1.00 0.00 N ATOM 1526 CA GLY A 105 7.327 -15.927 -1.424 1.00 0.00 C ATOM 1527 C GLY A 105 8.645 -15.648 -0.758 1.00 0.00 C ATOM 1528 O GLY A 105 8.957 -14.501 -0.432 1.00 0.00 O ATOM 0 H GLY A 105 7.184 -14.084 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.696 -16.511 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.490 -16.532 -2.316 1.00 0.00 H new ATOM 1532 N THR A 106 9.423 -16.685 -0.558 1.00 0.00 N ATOM 1533 CA THR A 106 10.732 -16.538 0.034 1.00 0.00 C ATOM 1534 C THR A 106 11.798 -16.754 -1.025 1.00 0.00 C ATOM 1535 O THR A 106 11.640 -17.611 -1.895 1.00 0.00 O ATOM 1536 CB THR A 106 10.921 -17.516 1.209 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.505 -18.839 0.829 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.117 -17.054 2.414 1.00 0.00 C ATOM 0 H THR A 106 9.171 -17.644 -0.798 1.00 0.00 H new ATOM 0 HA THR A 106 10.826 -15.527 0.431 1.00 0.00 H new ATOM 0 HB THR A 106 11.978 -17.537 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.531 -18.859 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.260 -17.754 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.454 -16.063 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.060 -17.013 2.152 1.00 0.00 H new ATOM 1546 N LEU A 107 12.852 -15.944 -0.973 1.00 0.00 N ATOM 1547 CA LEU A 107 13.922 -16.002 -1.964 1.00 0.00 C ATOM 1548 C LEU A 107 14.417 -17.434 -2.138 1.00 0.00 C ATOM 1549 O LEU A 107 15.010 -18.010 -1.223 1.00 0.00 O ATOM 1550 CB LEU A 107 15.079 -15.084 -1.554 1.00 0.00 C ATOM 1551 CG LEU A 107 16.216 -14.972 -2.571 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.710 -14.398 -3.886 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.344 -14.117 -2.012 1.00 0.00 C ATOM 0 H LEU A 107 12.988 -15.236 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 107 13.525 -15.658 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.681 -14.087 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.491 -15.445 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 107 16.603 -15.972 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.536 -14.327 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.937 -15.049 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.294 -13.405 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 107 18.146 -14.047 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.968 -13.119 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.728 -14.573 -1.099 1.00 0.00 H new ATOM 1565 N GLU A 108 14.143 -18.006 -3.308 1.00 0.00 N ATOM 1566 CA GLU A 108 14.480 -19.395 -3.584 1.00 0.00 C ATOM 1567 C GLU A 108 15.985 -19.624 -3.498 1.00 0.00 C ATOM 1568 O GLU A 108 16.441 -20.668 -3.029 1.00 0.00 O ATOM 1569 CB GLU A 108 13.958 -19.814 -4.958 1.00 0.00 C ATOM 1570 CG GLU A 108 12.443 -19.767 -5.066 1.00 0.00 C ATOM 1571 CD GLU A 108 11.932 -20.329 -6.376 1.00 0.00 C ATOM 1572 OE1 GLU A 108 11.691 -21.553 -6.450 1.00 0.00 O ATOM 1573 OE2 GLU A 108 11.768 -19.555 -7.341 1.00 0.00 O ATOM 0 H GLU A 108 13.686 -17.524 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 108 13.999 -20.011 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.390 -19.162 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 108 14.300 -20.826 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.007 -20.328 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.107 -18.735 -4.963 1.00 0.00 H new ATOM 1580 N HIS A 109 16.755 -18.640 -3.942 1.00 0.00 N ATOM 1581 CA HIS A 109 18.200 -18.727 -3.851 1.00 0.00 C ATOM 1582 C HIS A 109 18.672 -18.139 -2.527 1.00 0.00 C ATOM 1583 O HIS A 109 19.097 -16.986 -2.458 1.00 0.00 O ATOM 1584 CB HIS A 109 18.876 -18.009 -5.024 1.00 0.00 C ATOM 1585 CG HIS A 109 20.355 -18.250 -5.090 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.899 -19.393 -5.625 1.00 0.00 N ATOM 1587 CD2 HIS A 109 21.401 -17.500 -4.669 1.00 0.00 C ATOM 1588 CE1 HIS A 109 22.214 -19.340 -5.528 1.00 0.00 C ATOM 1589 NE2 HIS A 109 22.546 -18.202 -4.952 1.00 0.00 N ATOM 0 H HIS A 109 16.404 -17.781 -4.365 1.00 0.00 H new ATOM 0 HA HIS A 109 18.482 -19.779 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.418 -18.340 -5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 109 18.692 -16.938 -4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 109 21.345 -16.530 -4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.902 -20.101 -5.864 1.00 0.00 H new ATOM 0 HE2 HIS A 109 23.497 -17.894 -4.750 1.00 0.00 H new ATOM 1598 N HIS A 110 18.553 -18.929 -1.475 1.00 0.00 N ATOM 1599 CA HIS A 110 18.990 -18.509 -0.154 1.00 0.00 C ATOM 1600 C HIS A 110 20.498 -18.693 -0.044 1.00 0.00 C ATOM 1601 O HIS A 110 21.045 -19.660 -0.574 1.00 0.00 O ATOM 1602 CB HIS A 110 18.272 -19.332 0.921 1.00 0.00 C ATOM 1603 CG HIS A 110 18.389 -18.771 2.307 1.00 0.00 C ATOM 1604 ND1 HIS A 110 19.403 -19.104 3.178 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.592 -17.907 2.977 1.00 0.00 C ATOM 1606 CE1 HIS A 110 19.222 -18.473 4.323 1.00 0.00 C ATOM 1607 NE2 HIS A 110 18.129 -17.737 4.228 1.00 0.00 N ATOM 0 H HIS A 110 18.156 -19.868 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 110 18.745 -17.458 -0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.216 -19.407 0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.675 -20.345 0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.697 -17.437 2.597 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.860 -18.546 5.191 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.748 -17.141 4.963 1.00 0.00 H new ATOM 1616 N HIS A 111 21.167 -17.767 0.627 1.00 0.00 N ATOM 1617 CA HIS A 111 22.612 -17.856 0.794 1.00 0.00 C ATOM 1618 C HIS A 111 22.951 -18.951 1.798 1.00 0.00 C ATOM 1619 O HIS A 111 22.059 -19.572 2.375 1.00 0.00 O ATOM 1620 CB HIS A 111 23.193 -16.523 1.272 1.00 0.00 C ATOM 1621 CG HIS A 111 22.917 -15.367 0.362 1.00 0.00 C ATOM 1622 ND1 HIS A 111 22.278 -14.225 0.785 1.00 0.00 N ATOM 1623 CD2 HIS A 111 23.208 -15.168 -0.946 1.00 0.00 C ATOM 1624 CE1 HIS A 111 22.184 -13.375 -0.216 1.00 0.00 C ATOM 1625 NE2 HIS A 111 22.739 -13.922 -1.280 1.00 0.00 N ATOM 0 H HIS A 111 20.737 -16.951 1.062 1.00 0.00 H new ATOM 0 HA HIS A 111 23.052 -18.097 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.789 -16.297 2.259 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.272 -16.631 1.386 1.00 0.00 H new ATOM 0 HD1 HIS A 111 21.930 -14.062 1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 111 23.714 -15.860 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.730 -12.396 -0.173 1.00 0.00 H new ATOM 1634 N HIS A 112 24.236 -19.191 2.002 1.00 0.00 N ATOM 1635 CA HIS A 112 24.675 -20.200 2.957 1.00 0.00 C ATOM 1636 C HIS A 112 25.282 -19.537 4.184 1.00 0.00 C ATOM 1637 O HIS A 112 25.939 -20.180 5.002 1.00 0.00 O ATOM 1638 CB HIS A 112 25.670 -21.168 2.309 1.00 0.00 C ATOM 1639 CG HIS A 112 25.012 -22.199 1.442 1.00 0.00 C ATOM 1640 ND1 HIS A 112 25.270 -23.549 1.546 1.00 0.00 N ATOM 1641 CD2 HIS A 112 24.089 -22.072 0.459 1.00 0.00 C ATOM 1642 CE1 HIS A 112 24.535 -24.205 0.666 1.00 0.00 C ATOM 1643 NE2 HIS A 112 23.811 -23.331 -0.004 1.00 0.00 N ATOM 0 H HIS A 112 24.993 -18.704 1.522 1.00 0.00 H new ATOM 0 HA HIS A 112 23.806 -20.777 3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 112 26.382 -20.600 1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 112 26.240 -21.670 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 112 23.653 -21.149 0.106 1.00 0.00 H new ATOM 0 HE1 HIS A 112 24.528 -25.275 0.520 1.00 0.00 H new ATOM 0 HE2 HIS A 112 23.150 -23.556 -0.748 1.00 0.00 H new ATOM 1652 N HIS A 113 25.058 -18.238 4.299 1.00 0.00 N ATOM 1653 CA HIS A 113 25.455 -17.484 5.479 1.00 0.00 C ATOM 1654 C HIS A 113 24.333 -16.534 5.874 1.00 0.00 C ATOM 1655 O HIS A 113 23.765 -16.644 6.959 1.00 0.00 O ATOM 1656 CB HIS A 113 26.751 -16.700 5.232 1.00 0.00 C ATOM 1657 CG HIS A 113 27.956 -17.565 5.017 1.00 0.00 C ATOM 1658 ND1 HIS A 113 28.655 -18.155 6.047 1.00 0.00 N ATOM 1659 CD2 HIS A 113 28.584 -17.937 3.879 1.00 0.00 C ATOM 1660 CE1 HIS A 113 29.661 -18.851 5.550 1.00 0.00 C ATOM 1661 NE2 HIS A 113 29.642 -18.736 4.236 1.00 0.00 N ATOM 0 H HIS A 113 24.598 -17.678 3.581 1.00 0.00 H new ATOM 0 HA HIS A 113 25.643 -18.187 6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 113 26.616 -16.060 4.360 1.00 0.00 H new ATOM 0 HB3 HIS A 113 26.935 -16.044 6.083 1.00 0.00 H new ATOM 0 HD2 HIS A 113 28.305 -17.657 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 113 30.379 -19.419 6.123 1.00 0.00 H new ATOM 0 HE2 HIS A 113 30.304 -19.169 3.592 1.00 0.00 H new ATOM 1670 N HIS A 114 24.016 -15.605 4.985 1.00 0.00 N ATOM 1671 CA HIS A 114 22.881 -14.717 5.179 1.00 0.00 C ATOM 1672 C HIS A 114 21.832 -14.989 4.112 1.00 0.00 C ATOM 1673 O HIS A 114 21.618 -14.113 3.252 1.00 0.00 O ATOM 1674 CB HIS A 114 23.315 -13.246 5.121 1.00 0.00 C ATOM 1675 CG HIS A 114 24.188 -12.820 6.260 1.00 0.00 C ATOM 1676 ND1 HIS A 114 23.779 -11.934 7.234 1.00 0.00 N ATOM 1677 CD2 HIS A 114 25.461 -13.157 6.577 1.00 0.00 C ATOM 1678 CE1 HIS A 114 24.759 -11.748 8.095 1.00 0.00 C ATOM 1679 NE2 HIS A 114 25.791 -12.479 7.721 1.00 0.00 N ATOM 1680 OXT HIS A 114 21.259 -16.096 4.116 1.00 0.00 O ATOM 0 H HIS A 114 24.531 -15.447 4.119 1.00 0.00 H new ATOM 0 HA HIS A 114 22.459 -14.908 6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 114 23.846 -13.072 4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 114 22.425 -12.616 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 114 26.098 -13.835 6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 114 24.723 -11.105 8.962 1.00 0.00 H new ATOM 0 HE2 HIS A 114 26.688 -12.531 8.204 1.00 0.00 H new TER 1689 HIS A 114