USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 557 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 42 SER OG : rot 109:sc= 0.695 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -9.93! C(o=-9.2!,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 6 SER OG : rot 48:sc= -2.46! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1.2) USER MOD Single : A 29 ASN : amide:sc= -1.33 K(o=-1.3,f=-14!) USER MOD Single : A 35 GLN : amide:sc= -3.52! C(o=-3.5!,f=-4.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 157:sc= -4.29! (180deg=-5.99!) USER MOD Single : A 43 GLN : amide:sc=-0.00534 K(o=-0.0053,f=-0.67) USER MOD Single : A 46 CYS SG : rot 160:sc= -7.65! USER MOD Single : A 47 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0.363 (180deg=0.339) USER MOD Single : A 52 ASN : amide:sc= -3.04 K(o=-3,f=-4.1) USER MOD Single : A 53 THR OG1 : rot -79:sc= 0.652 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -3.23! C(o=-5.3!,f=-3.2!) USER MOD Single : A 62 MET CE :methyl -126:sc= -7.56! (180deg=-9.03!) USER MOD Single : A 63 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.45) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -11.3! C(o=-11!,f=-13!) USER MOD Single : A 69 MET CE :methyl -144:sc= -0.205 (180deg=-1.65) USER MOD Single : A 79 SER OG : rot 57:sc= 0.685 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.262 -8.443 -44.999 1.00 0.00 N ATOM 2 CA GLY A 1 -1.659 -8.408 -45.399 1.00 0.00 C ATOM 3 C GLY A 1 -2.531 -7.813 -44.291 1.00 0.00 C ATOM 4 O GLY A 1 -2.321 -8.094 -43.112 1.00 0.00 O ATOM 0 H1 GLY A 1 0.152 -9.360 -45.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.256 -7.679 -45.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.192 -8.314 -43.969 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.766 -7.817 -46.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.000 -9.417 -45.633 1.00 0.00 H new ATOM 8 N SER A 2 -3.491 -7.001 -44.710 1.00 0.00 N ATOM 9 CA SER A 2 -4.395 -6.363 -43.768 1.00 0.00 C ATOM 10 C SER A 2 -5.827 -6.847 -44.009 1.00 0.00 C ATOM 11 O SER A 2 -6.569 -6.241 -44.781 1.00 0.00 O ATOM 12 CB SER A 2 -4.324 -4.839 -43.881 1.00 0.00 C ATOM 13 OG SER A 2 -3.244 -4.298 -43.125 1.00 0.00 O ATOM 0 H SER A 2 -3.662 -6.770 -45.689 1.00 0.00 H new ATOM 0 HA SER A 2 -4.089 -6.639 -42.759 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.210 -4.558 -44.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.262 -4.406 -43.535 1.00 0.00 H new ATOM 0 HG SER A 2 -3.231 -3.323 -43.224 1.00 0.00 H new ATOM 19 N SER A 3 -6.172 -7.933 -43.335 1.00 0.00 N ATOM 20 CA SER A 3 -7.501 -8.505 -43.466 1.00 0.00 C ATOM 21 C SER A 3 -7.948 -9.103 -42.130 1.00 0.00 C ATOM 22 O SER A 3 -8.970 -8.701 -41.577 1.00 0.00 O ATOM 23 CB SER A 3 -7.537 -9.571 -44.563 1.00 0.00 C ATOM 24 OG SER A 3 -8.732 -10.345 -44.516 1.00 0.00 O ATOM 0 H SER A 3 -5.554 -8.433 -42.696 1.00 0.00 H new ATOM 0 HA SER A 3 -8.189 -7.708 -43.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.454 -9.091 -45.538 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.674 -10.229 -44.458 1.00 0.00 H new ATOM 0 HG SER A 3 -8.717 -11.013 -45.233 1.00 0.00 H new ATOM 30 N GLY A 4 -7.159 -10.054 -41.651 1.00 0.00 N ATOM 31 CA GLY A 4 -7.460 -10.711 -40.390 1.00 0.00 C ATOM 32 C GLY A 4 -6.513 -11.887 -40.145 1.00 0.00 C ATOM 33 O GLY A 4 -6.120 -12.579 -41.084 1.00 0.00 O ATOM 0 H GLY A 4 -6.312 -10.385 -42.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.375 -9.994 -39.573 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.491 -11.065 -40.397 1.00 0.00 H new ATOM 37 N SER A 5 -6.174 -12.079 -38.879 1.00 0.00 N ATOM 38 CA SER A 5 -5.280 -13.159 -38.499 1.00 0.00 C ATOM 39 C SER A 5 -5.808 -13.859 -37.245 1.00 0.00 C ATOM 40 O SER A 5 -6.058 -15.063 -37.261 1.00 0.00 O ATOM 41 CB SER A 5 -3.860 -12.641 -38.259 1.00 0.00 C ATOM 42 OG SER A 5 -3.829 -11.602 -37.284 1.00 0.00 O ATOM 0 H SER A 5 -6.503 -11.504 -38.103 1.00 0.00 H new ATOM 0 HA SER A 5 -5.242 -13.876 -39.319 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.224 -13.464 -37.932 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.446 -12.271 -39.197 1.00 0.00 H new ATOM 0 HG SER A 5 -2.906 -11.299 -37.158 1.00 0.00 H new ATOM 48 N SER A 6 -5.963 -13.074 -36.189 1.00 0.00 N ATOM 49 CA SER A 6 -6.458 -13.603 -34.929 1.00 0.00 C ATOM 50 C SER A 6 -7.040 -12.472 -34.079 1.00 0.00 C ATOM 51 O SER A 6 -6.300 -11.647 -33.546 1.00 0.00 O ATOM 52 CB SER A 6 -5.349 -14.326 -34.162 1.00 0.00 C ATOM 53 OG SER A 6 -5.576 -15.731 -34.094 1.00 0.00 O ATOM 0 H SER A 6 -5.755 -12.076 -36.180 1.00 0.00 H new ATOM 0 HA SER A 6 -7.244 -14.326 -35.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.391 -14.137 -34.646 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.282 -13.920 -33.153 1.00 0.00 H new ATOM 0 HG SER A 6 -5.803 -16.069 -34.985 1.00 0.00 H new ATOM 59 N GLY A 7 -8.361 -12.470 -33.980 1.00 0.00 N ATOM 60 CA GLY A 7 -9.052 -11.454 -33.204 1.00 0.00 C ATOM 61 C GLY A 7 -8.920 -11.726 -31.704 1.00 0.00 C ATOM 62 O GLY A 7 -9.889 -12.114 -31.052 1.00 0.00 O ATOM 0 H GLY A 7 -8.971 -13.156 -34.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.641 -10.472 -33.437 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.106 -11.433 -33.482 1.00 0.00 H new ATOM 66 N GLY A 8 -7.714 -11.512 -31.200 1.00 0.00 N ATOM 67 CA GLY A 8 -7.443 -11.730 -29.789 1.00 0.00 C ATOM 68 C GLY A 8 -6.639 -10.569 -29.200 1.00 0.00 C ATOM 69 O GLY A 8 -6.479 -9.531 -29.840 1.00 0.00 O ATOM 0 H GLY A 8 -6.913 -11.190 -31.743 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.382 -11.839 -29.247 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.891 -12.661 -29.660 1.00 0.00 H new ATOM 73 N GLU A 9 -6.153 -10.784 -27.986 1.00 0.00 N ATOM 74 CA GLU A 9 -5.369 -9.769 -27.303 1.00 0.00 C ATOM 75 C GLU A 9 -3.979 -10.311 -26.963 1.00 0.00 C ATOM 76 O GLU A 9 -2.983 -9.602 -27.096 1.00 0.00 O ATOM 77 CB GLU A 9 -6.088 -9.274 -26.046 1.00 0.00 C ATOM 78 CG GLU A 9 -5.945 -10.280 -24.902 1.00 0.00 C ATOM 79 CD GLU A 9 -6.905 -9.948 -23.757 1.00 0.00 C ATOM 80 OE1 GLU A 9 -6.787 -8.823 -23.226 1.00 0.00 O ATOM 81 OE2 GLU A 9 -7.734 -10.828 -23.440 1.00 0.00 O ATOM 0 H GLU A 9 -6.287 -11.646 -27.458 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.251 -8.917 -27.973 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.677 -8.311 -25.742 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.144 -9.115 -26.265 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.146 -11.286 -25.270 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.919 -10.275 -24.534 1.00 0.00 H new ATOM 88 N GLU A 10 -3.957 -11.563 -26.530 1.00 0.00 N ATOM 89 CA GLU A 10 -2.706 -12.208 -26.170 1.00 0.00 C ATOM 90 C GLU A 10 -2.427 -13.385 -27.106 1.00 0.00 C ATOM 91 O GLU A 10 -1.271 -13.697 -27.390 1.00 0.00 O ATOM 92 CB GLU A 10 -2.724 -12.661 -24.708 1.00 0.00 C ATOM 93 CG GLU A 10 -1.320 -13.046 -24.236 1.00 0.00 C ATOM 94 CD GLU A 10 -0.838 -12.106 -23.129 1.00 0.00 C ATOM 95 OE1 GLU A 10 -1.190 -10.909 -23.207 1.00 0.00 O ATOM 96 OE2 GLU A 10 -0.129 -12.607 -22.229 1.00 0.00 O ATOM 0 H GLU A 10 -4.786 -12.148 -26.420 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.900 -11.483 -26.281 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.116 -11.861 -24.080 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.396 -13.512 -24.595 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.324 -14.073 -23.870 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.627 -13.010 -25.077 1.00 0.00 H new ATOM 103 N LEU A 11 -3.505 -14.007 -27.560 1.00 0.00 N ATOM 104 CA LEU A 11 -3.391 -15.144 -28.458 1.00 0.00 C ATOM 105 C LEU A 11 -2.644 -16.276 -27.750 1.00 0.00 C ATOM 106 O LEU A 11 -1.674 -16.032 -27.034 1.00 0.00 O ATOM 107 CB LEU A 11 -2.750 -14.718 -29.781 1.00 0.00 C ATOM 108 CG LEU A 11 -3.678 -14.693 -30.998 1.00 0.00 C ATOM 109 CD1 LEU A 11 -4.012 -16.112 -31.462 1.00 0.00 C ATOM 110 CD2 LEU A 11 -4.937 -13.873 -30.710 1.00 0.00 C ATOM 0 H LEU A 11 -4.462 -13.745 -27.323 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.379 -15.526 -28.716 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.325 -13.722 -29.652 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.921 -15.393 -29.994 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.154 -14.201 -31.818 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.673 -16.066 -32.328 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.093 -16.632 -31.734 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.509 -16.651 -30.655 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.579 -13.871 -31.591 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.474 -14.314 -29.870 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.656 -12.849 -30.464 1.00 0.00 H new ATOM 122 N LEU A 12 -3.126 -17.490 -27.973 1.00 0.00 N ATOM 123 CA LEU A 12 -2.516 -18.660 -27.364 1.00 0.00 C ATOM 124 C LEU A 12 -2.781 -18.642 -25.858 1.00 0.00 C ATOM 125 O LEU A 12 -2.757 -17.584 -25.232 1.00 0.00 O ATOM 126 CB LEU A 12 -1.032 -18.741 -27.727 1.00 0.00 C ATOM 127 CG LEU A 12 -0.051 -18.294 -26.641 1.00 0.00 C ATOM 128 CD1 LEU A 12 0.428 -19.486 -25.811 1.00 0.00 C ATOM 129 CD2 LEU A 12 1.116 -17.510 -27.245 1.00 0.00 C ATOM 0 H LEU A 12 -3.931 -17.689 -28.567 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.966 -19.572 -27.756 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.800 -19.771 -27.997 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.862 -18.133 -28.615 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.575 -17.620 -25.964 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.124 -19.141 -25.046 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.427 -19.964 -25.334 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.929 -20.204 -26.460 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.798 -17.204 -26.452 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.648 -18.140 -27.958 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.735 -16.626 -27.756 1.00 0.00 H new ATOM 141 N PRO A 13 -3.035 -19.859 -25.305 1.00 0.00 N ATOM 142 CA PRO A 13 -3.304 -19.993 -23.883 1.00 0.00 C ATOM 143 C PRO A 13 -2.018 -19.851 -23.066 1.00 0.00 C ATOM 144 O PRO A 13 -1.022 -20.513 -23.349 1.00 0.00 O ATOM 145 CB PRO A 13 -3.955 -21.359 -23.733 1.00 0.00 C ATOM 146 CG PRO A 13 -3.605 -22.128 -24.997 1.00 0.00 C ATOM 147 CD PRO A 13 -3.071 -21.134 -26.015 1.00 0.00 C ATOM 0 HA PRO A 13 -3.960 -19.210 -23.503 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.583 -21.874 -22.847 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.035 -21.267 -23.618 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.859 -22.894 -24.784 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.484 -22.640 -25.388 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.079 -21.420 -26.365 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.716 -21.081 -26.892 1.00 0.00 H new ATOM 155 N ASP A 14 -2.083 -18.982 -22.068 1.00 0.00 N ATOM 156 CA ASP A 14 -0.936 -18.744 -21.207 1.00 0.00 C ATOM 157 C ASP A 14 -1.424 -18.297 -19.827 1.00 0.00 C ATOM 158 O ASP A 14 -1.434 -17.104 -19.525 1.00 0.00 O ATOM 159 CB ASP A 14 -0.043 -17.639 -21.774 1.00 0.00 C ATOM 160 CG ASP A 14 -0.709 -16.267 -21.897 1.00 0.00 C ATOM 161 OD1 ASP A 14 -1.513 -16.110 -22.842 1.00 0.00 O ATOM 162 OD2 ASP A 14 -0.400 -15.407 -21.045 1.00 0.00 O ATOM 0 H ASP A 14 -2.912 -18.434 -21.836 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.365 -19.670 -21.140 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.838 -17.543 -21.139 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.307 -17.946 -22.760 1.00 0.00 H new ATOM 167 N GLY A 15 -1.816 -19.277 -19.027 1.00 0.00 N ATOM 168 CA GLY A 15 -2.304 -19.000 -17.687 1.00 0.00 C ATOM 169 C GLY A 15 -2.235 -20.250 -16.809 1.00 0.00 C ATOM 170 O GLY A 15 -3.224 -20.967 -16.663 1.00 0.00 O ATOM 0 H GLY A 15 -1.806 -20.265 -19.281 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.712 -18.203 -17.238 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.333 -18.643 -17.737 1.00 0.00 H new ATOM 174 N VAL A 16 -1.056 -20.475 -16.246 1.00 0.00 N ATOM 175 CA VAL A 16 -0.845 -21.627 -15.385 1.00 0.00 C ATOM 176 C VAL A 16 -0.257 -21.161 -14.052 1.00 0.00 C ATOM 177 O VAL A 16 0.915 -20.796 -13.980 1.00 0.00 O ATOM 178 CB VAL A 16 0.032 -22.658 -16.098 1.00 0.00 C ATOM 179 CG1 VAL A 16 1.440 -22.110 -16.336 1.00 0.00 C ATOM 180 CG2 VAL A 16 0.080 -23.972 -15.315 1.00 0.00 C ATOM 0 H VAL A 16 -0.237 -19.879 -16.369 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.792 -22.120 -15.167 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.416 -22.863 -17.070 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.042 -22.863 -16.844 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.382 -21.214 -16.954 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.900 -21.862 -15.380 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.710 -24.688 -15.843 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.492 -23.789 -14.323 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.928 -24.376 -15.221 1.00 0.00 H new ATOM 190 N PRO A 17 -1.121 -21.189 -13.002 1.00 0.00 N ATOM 191 CA PRO A 17 -0.699 -20.775 -11.674 1.00 0.00 C ATOM 192 C PRO A 17 0.184 -21.840 -11.022 1.00 0.00 C ATOM 193 O PRO A 17 -0.320 -22.810 -10.458 1.00 0.00 O ATOM 194 CB PRO A 17 -1.990 -20.525 -10.912 1.00 0.00 C ATOM 195 CG PRO A 17 -3.078 -21.251 -11.685 1.00 0.00 C ATOM 196 CD PRO A 17 -2.516 -21.616 -13.049 1.00 0.00 C ATOM 0 HA PRO A 17 -0.081 -19.877 -11.690 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.920 -20.900 -9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.204 -19.458 -10.845 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.393 -22.147 -11.150 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.958 -20.617 -11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.596 -22.687 -13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.058 -21.111 -13.849 1.00 0.00 H new ATOM 204 N GLU A 18 1.488 -21.624 -11.120 1.00 0.00 N ATOM 205 CA GLU A 18 2.446 -22.553 -10.547 1.00 0.00 C ATOM 206 C GLU A 18 3.828 -21.903 -10.457 1.00 0.00 C ATOM 207 O GLU A 18 4.013 -20.768 -10.893 1.00 0.00 O ATOM 208 CB GLU A 18 2.502 -23.851 -11.355 1.00 0.00 C ATOM 209 CG GLU A 18 2.418 -25.073 -10.437 1.00 0.00 C ATOM 210 CD GLU A 18 3.153 -26.268 -11.046 1.00 0.00 C ATOM 211 OE1 GLU A 18 4.164 -26.020 -11.739 1.00 0.00 O ATOM 212 OE2 GLU A 18 2.688 -27.403 -10.805 1.00 0.00 O ATOM 0 H GLU A 18 1.903 -20.818 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 18 2.119 -22.805 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.681 -23.873 -12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.428 -23.886 -11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.850 -24.833 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.373 -25.333 -10.266 1.00 0.00 H new ATOM 219 N GLU A 19 4.763 -22.651 -9.890 1.00 0.00 N ATOM 220 CA GLU A 19 6.123 -22.161 -9.738 1.00 0.00 C ATOM 221 C GLU A 19 6.134 -20.875 -8.909 1.00 0.00 C ATOM 222 O GLU A 19 5.975 -19.782 -9.451 1.00 0.00 O ATOM 223 CB GLU A 19 6.782 -21.941 -11.101 1.00 0.00 C ATOM 224 CG GLU A 19 8.225 -21.458 -10.941 1.00 0.00 C ATOM 225 CD GLU A 19 9.168 -22.232 -11.864 1.00 0.00 C ATOM 226 OE1 GLU A 19 9.170 -21.910 -13.072 1.00 0.00 O ATOM 227 OE2 GLU A 19 9.865 -23.128 -11.342 1.00 0.00 O ATOM 0 H GLU A 19 4.606 -23.592 -9.530 1.00 0.00 H new ATOM 0 HA GLU A 19 6.704 -22.916 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.767 -22.870 -11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.211 -21.208 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.283 -20.393 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.541 -21.582 -9.905 1.00 0.00 H new ATOM 234 N VAL A 20 6.325 -21.048 -7.609 1.00 0.00 N ATOM 235 CA VAL A 20 6.359 -19.915 -6.701 1.00 0.00 C ATOM 236 C VAL A 20 7.285 -20.237 -5.526 1.00 0.00 C ATOM 237 O VAL A 20 7.437 -21.398 -5.151 1.00 0.00 O ATOM 238 CB VAL A 20 4.939 -19.553 -6.261 1.00 0.00 C ATOM 239 CG1 VAL A 20 4.339 -20.654 -5.385 1.00 0.00 C ATOM 240 CG2 VAL A 20 4.915 -18.204 -5.541 1.00 0.00 C ATOM 0 H VAL A 20 6.458 -21.956 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 20 6.763 -19.036 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 20 4.323 -19.465 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.330 -20.372 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.303 -21.587 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.956 -20.789 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.894 -17.971 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.553 -18.251 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.281 -17.427 -6.212 1.00 0.00 H new ATOM 250 N MET A 21 7.879 -19.187 -4.977 1.00 0.00 N ATOM 251 CA MET A 21 8.785 -19.344 -3.852 1.00 0.00 C ATOM 252 C MET A 21 8.029 -19.267 -2.524 1.00 0.00 C ATOM 253 O MET A 21 8.603 -18.900 -1.500 1.00 0.00 O ATOM 254 CB MET A 21 9.850 -18.246 -3.898 1.00 0.00 C ATOM 255 CG MET A 21 11.257 -18.847 -3.913 1.00 0.00 C ATOM 256 SD MET A 21 11.861 -19.029 -2.244 1.00 0.00 S ATOM 257 CE MET A 21 13.527 -18.420 -2.449 1.00 0.00 C ATOM 0 H MET A 21 7.750 -18.225 -5.290 1.00 0.00 H new ATOM 0 HA MET A 21 9.257 -20.324 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 21 9.704 -17.630 -4.785 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.740 -17.591 -3.034 1.00 0.00 H new ATOM 0 HG2 MET A 21 11.242 -19.817 -4.411 1.00 0.00 H new ATOM 0 HG3 MET A 21 11.929 -18.206 -4.484 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.051 -18.464 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.052 -19.035 -3.180 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.497 -17.388 -2.799 1.00 0.00 H new ATOM 267 N GLU A 22 6.753 -19.618 -2.585 1.00 0.00 N ATOM 268 CA GLU A 22 5.913 -19.593 -1.400 1.00 0.00 C ATOM 269 C GLU A 22 5.878 -18.185 -0.803 1.00 0.00 C ATOM 270 O GLU A 22 6.755 -17.368 -1.080 1.00 0.00 O ATOM 271 CB GLU A 22 6.392 -20.615 -0.366 1.00 0.00 C ATOM 272 CG GLU A 22 5.237 -21.500 0.106 1.00 0.00 C ATOM 273 CD GLU A 22 5.723 -22.545 1.113 1.00 0.00 C ATOM 274 OE1 GLU A 22 6.144 -23.627 0.649 1.00 0.00 O ATOM 275 OE2 GLU A 22 5.663 -22.238 2.323 1.00 0.00 O ATOM 0 H GLU A 22 6.280 -19.921 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 22 4.899 -19.868 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.177 -21.235 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.830 -20.097 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.464 -20.882 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.783 -21.999 -0.750 1.00 0.00 H new ATOM 282 N SER A 23 4.856 -17.944 0.005 1.00 0.00 N ATOM 283 CA SER A 23 4.696 -16.649 0.644 1.00 0.00 C ATOM 284 C SER A 23 5.827 -16.417 1.648 1.00 0.00 C ATOM 285 O SER A 23 5.636 -16.580 2.852 1.00 0.00 O ATOM 286 CB SER A 23 3.338 -16.543 1.340 1.00 0.00 C ATOM 287 OG SER A 23 2.548 -15.480 0.812 1.00 0.00 O ATOM 0 H SER A 23 4.130 -18.624 0.232 1.00 0.00 H new ATOM 0 HA SER A 23 4.740 -15.879 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.800 -17.484 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.489 -16.386 2.408 1.00 0.00 H new ATOM 0 HG SER A 23 1.688 -15.447 1.282 1.00 0.00 H new ATOM 293 N ALA A 24 6.979 -16.039 1.115 1.00 0.00 N ATOM 294 CA ALA A 24 8.141 -15.782 1.949 1.00 0.00 C ATOM 295 C ALA A 24 8.730 -14.417 1.590 1.00 0.00 C ATOM 296 O ALA A 24 9.520 -14.304 0.654 1.00 0.00 O ATOM 297 CB ALA A 24 9.153 -16.917 1.778 1.00 0.00 C ATOM 0 H ALA A 24 7.133 -15.904 0.116 1.00 0.00 H new ATOM 0 HA ALA A 24 7.859 -15.752 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.025 -16.725 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.695 -17.861 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.461 -16.975 0.734 1.00 0.00 H new ATOM 303 N GLN A 25 8.322 -13.413 2.353 1.00 0.00 N ATOM 304 CA GLN A 25 8.799 -12.059 2.127 1.00 0.00 C ATOM 305 C GLN A 25 7.942 -11.364 1.067 1.00 0.00 C ATOM 306 O GLN A 25 7.387 -12.019 0.186 1.00 0.00 O ATOM 307 CB GLN A 25 10.276 -12.058 1.726 1.00 0.00 C ATOM 308 CG GLN A 25 10.435 -11.834 0.221 1.00 0.00 C ATOM 309 CD GLN A 25 11.792 -12.343 -0.269 1.00 0.00 C ATOM 310 OE1 GLN A 25 12.641 -12.761 0.500 1.00 0.00 O ATOM 311 NE2 GLN A 25 11.948 -12.284 -1.588 1.00 0.00 N ATOM 0 H GLN A 25 7.666 -13.510 3.128 1.00 0.00 H new ATOM 0 HA GLN A 25 8.709 -11.502 3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.804 -11.276 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.733 -13.007 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.636 -12.348 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.338 -10.772 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.196 -11.923 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.820 -12.600 -2.013 1.00 0.00 H new ATOM 320 N PRO A 26 7.860 -10.013 1.190 1.00 0.00 N ATOM 321 CA PRO A 26 7.080 -9.222 0.253 1.00 0.00 C ATOM 322 C PRO A 26 7.804 -9.090 -1.088 1.00 0.00 C ATOM 323 O PRO A 26 8.929 -9.565 -1.240 1.00 0.00 O ATOM 324 CB PRO A 26 6.868 -7.886 0.947 1.00 0.00 C ATOM 325 CG PRO A 26 7.922 -7.812 2.040 1.00 0.00 C ATOM 326 CD PRO A 26 8.505 -9.204 2.221 1.00 0.00 C ATOM 0 HA PRO A 26 6.124 -9.684 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.975 -7.060 0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.864 -7.819 1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.704 -7.103 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.481 -7.459 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.588 -9.198 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.298 -9.594 3.218 1.00 0.00 H new ATOM 334 N VAL A 27 7.130 -8.443 -2.027 1.00 0.00 N ATOM 335 CA VAL A 27 7.695 -8.243 -3.351 1.00 0.00 C ATOM 336 C VAL A 27 7.352 -6.834 -3.839 1.00 0.00 C ATOM 337 O VAL A 27 6.207 -6.398 -3.733 1.00 0.00 O ATOM 338 CB VAL A 27 7.206 -9.340 -4.299 1.00 0.00 C ATOM 339 CG1 VAL A 27 7.914 -10.666 -4.015 1.00 0.00 C ATOM 340 CG2 VAL A 27 5.687 -9.500 -4.216 1.00 0.00 C ATOM 0 H VAL A 27 6.198 -8.050 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 27 8.782 -8.320 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 27 7.455 -9.039 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.548 -11.428 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.988 -10.541 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.711 -10.975 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.366 -10.286 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.404 -9.767 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.207 -8.561 -4.491 1.00 0.00 H new ATOM 350 N ALA A 28 8.366 -6.161 -4.363 1.00 0.00 N ATOM 351 CA ALA A 28 8.187 -4.810 -4.868 1.00 0.00 C ATOM 352 C ALA A 28 7.182 -4.831 -6.021 1.00 0.00 C ATOM 353 O ALA A 28 7.566 -4.966 -7.182 1.00 0.00 O ATOM 354 CB ALA A 28 9.542 -4.237 -5.286 1.00 0.00 C ATOM 0 H ALA A 28 9.315 -6.526 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 28 7.784 -4.160 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.407 -3.224 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.210 -4.217 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.976 -4.862 -6.067 1.00 0.00 H new ATOM 360 N ASN A 29 5.914 -4.695 -5.662 1.00 0.00 N ATOM 361 CA ASN A 29 4.851 -4.696 -6.652 1.00 0.00 C ATOM 362 C ASN A 29 5.299 -3.895 -7.876 1.00 0.00 C ATOM 363 O ASN A 29 5.739 -2.753 -7.747 1.00 0.00 O ATOM 364 CB ASN A 29 3.582 -4.045 -6.099 1.00 0.00 C ATOM 365 CG ASN A 29 2.368 -4.387 -6.965 1.00 0.00 C ATOM 366 OD1 ASN A 29 2.316 -4.097 -8.149 1.00 0.00 O ATOM 367 ND2 ASN A 29 1.397 -5.018 -6.311 1.00 0.00 N ATOM 0 H ASN A 29 5.599 -4.583 -4.698 1.00 0.00 H new ATOM 0 HA ASN A 29 4.638 -5.732 -6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.411 -4.383 -5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.712 -2.963 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.545 -5.289 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.505 -5.231 -5.319 1.00 0.00 H new ATOM 374 N GLU A 30 5.171 -4.523 -9.035 1.00 0.00 N ATOM 375 CA GLU A 30 5.557 -3.883 -10.281 1.00 0.00 C ATOM 376 C GLU A 30 4.626 -2.707 -10.584 1.00 0.00 C ATOM 377 O GLU A 30 5.004 -1.780 -11.298 1.00 0.00 O ATOM 378 CB GLU A 30 5.565 -4.887 -11.434 1.00 0.00 C ATOM 379 CG GLU A 30 6.793 -5.797 -11.361 1.00 0.00 C ATOM 380 CD GLU A 30 7.125 -6.381 -12.736 1.00 0.00 C ATOM 381 OE1 GLU A 30 6.372 -7.282 -13.166 1.00 0.00 O ATOM 382 OE2 GLU A 30 8.124 -5.915 -13.325 1.00 0.00 O ATOM 0 H GLU A 30 4.805 -5.470 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 30 6.571 -3.499 -10.171 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.658 -5.491 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.559 -4.354 -12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.647 -5.232 -10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.610 -6.605 -10.653 1.00 0.00 H new ATOM 389 N GLU A 31 3.427 -2.784 -10.026 1.00 0.00 N ATOM 390 CA GLU A 31 2.439 -1.738 -10.227 1.00 0.00 C ATOM 391 C GLU A 31 2.756 -0.531 -9.342 1.00 0.00 C ATOM 392 O GLU A 31 2.792 0.602 -9.820 1.00 0.00 O ATOM 393 CB GLU A 31 1.026 -2.259 -9.959 1.00 0.00 C ATOM 394 CG GLU A 31 0.098 -1.959 -11.138 1.00 0.00 C ATOM 395 CD GLU A 31 -1.132 -1.173 -10.681 1.00 0.00 C ATOM 396 OE1 GLU A 31 -1.720 -1.583 -9.657 1.00 0.00 O ATOM 397 OE2 GLU A 31 -1.457 -0.179 -11.367 1.00 0.00 O ATOM 0 H GLU A 31 3.117 -3.555 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 31 2.482 -1.421 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.059 -3.334 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.630 -1.798 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.638 -1.389 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.215 -2.892 -11.605 1.00 0.00 H new ATOM 404 N ILE A 32 2.977 -0.815 -8.067 1.00 0.00 N ATOM 405 CA ILE A 32 3.290 0.234 -7.110 1.00 0.00 C ATOM 406 C ILE A 32 4.616 0.892 -7.496 1.00 0.00 C ATOM 407 O ILE A 32 4.754 2.112 -7.417 1.00 0.00 O ATOM 408 CB ILE A 32 3.271 -0.320 -5.684 1.00 0.00 C ATOM 409 CG1 ILE A 32 1.961 -1.058 -5.399 1.00 0.00 C ATOM 410 CG2 ILE A 32 3.539 0.787 -4.662 1.00 0.00 C ATOM 411 CD1 ILE A 32 1.862 -1.451 -3.924 1.00 0.00 C ATOM 0 H ILE A 32 2.946 -1.756 -7.674 1.00 0.00 H new ATOM 0 HA ILE A 32 2.528 1.013 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 32 4.077 -1.048 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.116 -0.423 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.900 -1.951 -6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.520 0.366 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.517 1.229 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.771 1.556 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.922 -1.974 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.695 -2.105 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.899 -0.554 -3.305 1.00 0.00 H new ATOM 423 N VAL A 33 5.558 0.056 -7.907 1.00 0.00 N ATOM 424 CA VAL A 33 6.868 0.541 -8.306 1.00 0.00 C ATOM 425 C VAL A 33 6.744 1.301 -9.628 1.00 0.00 C ATOM 426 O VAL A 33 7.225 2.427 -9.749 1.00 0.00 O ATOM 427 CB VAL A 33 7.858 -0.623 -8.376 1.00 0.00 C ATOM 428 CG1 VAL A 33 9.129 -0.217 -9.126 1.00 0.00 C ATOM 429 CG2 VAL A 33 8.191 -1.144 -6.977 1.00 0.00 C ATOM 0 H VAL A 33 5.440 -0.955 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 33 7.259 1.238 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 33 7.385 -1.433 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.816 -1.062 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.872 0.084 -10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.606 0.616 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.897 -1.971 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.635 -0.343 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.279 -1.490 -6.491 1.00 0.00 H new ATOM 439 N ALA A 34 6.097 0.655 -10.587 1.00 0.00 N ATOM 440 CA ALA A 34 5.904 1.256 -11.896 1.00 0.00 C ATOM 441 C ALA A 34 5.336 2.666 -11.726 1.00 0.00 C ATOM 442 O ALA A 34 5.599 3.548 -12.543 1.00 0.00 O ATOM 443 CB ALA A 34 4.996 0.360 -12.740 1.00 0.00 C ATOM 0 H ALA A 34 5.700 -0.279 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 34 6.855 1.345 -12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.851 0.811 -13.722 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.458 -0.621 -12.855 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.031 0.251 -12.245 1.00 0.00 H new ATOM 449 N GLN A 35 4.567 2.836 -10.661 1.00 0.00 N ATOM 450 CA GLN A 35 3.960 4.124 -10.373 1.00 0.00 C ATOM 451 C GLN A 35 4.999 5.082 -9.786 1.00 0.00 C ATOM 452 O GLN A 35 5.097 6.233 -10.209 1.00 0.00 O ATOM 453 CB GLN A 35 2.763 3.969 -9.433 1.00 0.00 C ATOM 454 CG GLN A 35 1.521 3.509 -10.197 1.00 0.00 C ATOM 455 CD GLN A 35 0.364 3.215 -9.239 1.00 0.00 C ATOM 456 OE1 GLN A 35 -0.317 4.104 -8.757 1.00 0.00 O ATOM 457 NE2 GLN A 35 0.183 1.921 -8.990 1.00 0.00 N ATOM 0 H GLN A 35 4.350 2.102 -9.986 1.00 0.00 H new ATOM 0 HA GLN A 35 3.593 4.547 -11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.001 3.248 -8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.559 4.919 -8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.222 4.279 -10.909 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.756 2.615 -10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.790 1.228 -9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.563 1.622 -8.362 1.00 0.00 H new ATOM 466 N LEU A 36 5.748 4.571 -8.820 1.00 0.00 N ATOM 467 CA LEU A 36 6.776 5.366 -8.170 1.00 0.00 C ATOM 468 C LEU A 36 7.865 5.712 -9.186 1.00 0.00 C ATOM 469 O LEU A 36 8.230 6.877 -9.338 1.00 0.00 O ATOM 470 CB LEU A 36 7.302 4.648 -6.925 1.00 0.00 C ATOM 471 CG LEU A 36 6.258 4.292 -5.865 1.00 0.00 C ATOM 472 CD1 LEU A 36 6.710 3.091 -5.032 1.00 0.00 C ATOM 473 CD2 LEU A 36 5.928 5.504 -4.992 1.00 0.00 C ATOM 0 H LEU A 36 5.663 3.616 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 36 6.360 6.309 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.797 3.730 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.062 5.277 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 36 5.339 4.003 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.950 2.859 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.854 2.229 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.649 3.328 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.183 5.224 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.832 5.848 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.533 6.305 -5.616 1.00 0.00 H new ATOM 485 N VAL A 37 8.354 4.679 -9.857 1.00 0.00 N ATOM 486 CA VAL A 37 9.395 4.860 -10.855 1.00 0.00 C ATOM 487 C VAL A 37 8.942 5.908 -11.874 1.00 0.00 C ATOM 488 O VAL A 37 9.766 6.494 -12.574 1.00 0.00 O ATOM 489 CB VAL A 37 9.745 3.515 -11.495 1.00 0.00 C ATOM 490 CG1 VAL A 37 10.727 3.699 -12.654 1.00 0.00 C ATOM 491 CG2 VAL A 37 10.299 2.540 -10.455 1.00 0.00 C ATOM 0 H VAL A 37 8.049 3.714 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 37 10.309 5.232 -10.391 1.00 0.00 H new ATOM 0 HB VAL A 37 8.827 3.087 -11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.959 2.728 -13.092 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.279 4.341 -13.412 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.643 4.159 -12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.539 1.592 -10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.200 2.959 -10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.552 2.373 -9.679 1.00 0.00 H new ATOM 501 N SER A 38 7.634 6.112 -11.924 1.00 0.00 N ATOM 502 CA SER A 38 7.062 7.079 -12.845 1.00 0.00 C ATOM 503 C SER A 38 6.981 8.453 -12.178 1.00 0.00 C ATOM 504 O SER A 38 7.255 9.471 -12.811 1.00 0.00 O ATOM 505 CB SER A 38 5.676 6.636 -13.317 1.00 0.00 C ATOM 506 OG SER A 38 5.629 6.444 -14.729 1.00 0.00 O ATOM 0 H SER A 38 6.954 5.624 -11.341 1.00 0.00 H new ATOM 0 HA SER A 38 7.711 7.144 -13.719 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.402 5.708 -12.816 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.938 7.384 -13.028 1.00 0.00 H new ATOM 0 HG SER A 38 4.728 6.160 -14.991 1.00 0.00 H new ATOM 512 N MET A 39 6.604 8.438 -10.908 1.00 0.00 N ATOM 513 CA MET A 39 6.484 9.670 -10.148 1.00 0.00 C ATOM 514 C MET A 39 7.797 10.456 -10.166 1.00 0.00 C ATOM 515 O MET A 39 7.793 11.681 -10.061 1.00 0.00 O ATOM 516 CB MET A 39 6.104 9.344 -8.702 1.00 0.00 C ATOM 517 CG MET A 39 4.629 8.953 -8.598 1.00 0.00 C ATOM 518 SD MET A 39 4.082 9.077 -6.903 1.00 0.00 S ATOM 519 CE MET A 39 3.693 7.366 -6.576 1.00 0.00 C ATOM 0 H MET A 39 6.378 7.591 -10.386 1.00 0.00 H new ATOM 0 HA MET A 39 5.709 10.283 -10.607 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.727 8.529 -8.333 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.301 10.208 -8.067 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.026 9.604 -9.232 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.488 7.935 -8.961 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.732 7.183 -5.502 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.692 7.143 -6.946 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.417 6.726 -7.080 1.00 0.00 H new ATOM 529 N GLY A 40 8.889 9.718 -10.301 1.00 0.00 N ATOM 530 CA GLY A 40 10.207 10.330 -10.334 1.00 0.00 C ATOM 531 C GLY A 40 11.074 9.827 -9.179 1.00 0.00 C ATOM 532 O GLY A 40 11.790 10.606 -8.550 1.00 0.00 O ATOM 0 H GLY A 40 8.888 8.702 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.693 10.104 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.110 11.414 -10.275 1.00 0.00 H new ATOM 536 N PHE A 41 10.983 8.528 -8.934 1.00 0.00 N ATOM 537 CA PHE A 41 11.750 7.912 -7.865 1.00 0.00 C ATOM 538 C PHE A 41 12.712 6.858 -8.418 1.00 0.00 C ATOM 539 O PHE A 41 12.718 6.586 -9.618 1.00 0.00 O ATOM 540 CB PHE A 41 10.749 7.231 -6.930 1.00 0.00 C ATOM 541 CG PHE A 41 10.043 8.190 -5.970 1.00 0.00 C ATOM 542 CD1 PHE A 41 8.910 8.834 -6.362 1.00 0.00 C ATOM 543 CD2 PHE A 41 10.547 8.399 -4.724 1.00 0.00 C ATOM 544 CE1 PHE A 41 8.255 9.724 -5.470 1.00 0.00 C ATOM 545 CE2 PHE A 41 9.892 9.290 -3.833 1.00 0.00 C ATOM 546 CZ PHE A 41 8.759 9.933 -4.225 1.00 0.00 C ATOM 0 H PHE A 41 10.389 7.885 -9.458 1.00 0.00 H new ATOM 0 HA PHE A 41 12.340 8.668 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.999 6.716 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.270 6.470 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.509 8.668 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.445 7.887 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.356 10.235 -5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.293 9.457 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.260 10.610 -3.547 1.00 0.00 H new ATOM 556 N SER A 42 13.502 6.293 -7.517 1.00 0.00 N ATOM 557 CA SER A 42 14.465 5.275 -7.899 1.00 0.00 C ATOM 558 C SER A 42 13.852 3.884 -7.727 1.00 0.00 C ATOM 559 O SER A 42 13.514 3.484 -6.614 1.00 0.00 O ATOM 560 CB SER A 42 15.749 5.395 -7.077 1.00 0.00 C ATOM 561 OG SER A 42 15.873 6.675 -6.463 1.00 0.00 O ATOM 0 H SER A 42 13.495 6.521 -6.523 1.00 0.00 H new ATOM 0 HA SER A 42 14.722 5.424 -8.948 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.761 4.622 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.610 5.217 -7.722 1.00 0.00 H new ATOM 0 HG SER A 42 15.732 6.589 -5.497 1.00 0.00 H new ATOM 567 N GLN A 43 13.728 3.184 -8.845 1.00 0.00 N ATOM 568 CA GLN A 43 13.162 1.846 -8.832 1.00 0.00 C ATOM 569 C GLN A 43 13.669 1.067 -7.616 1.00 0.00 C ATOM 570 O GLN A 43 12.882 0.657 -6.765 1.00 0.00 O ATOM 571 CB GLN A 43 13.481 1.103 -10.131 1.00 0.00 C ATOM 572 CG GLN A 43 12.802 -0.268 -10.159 1.00 0.00 C ATOM 573 CD GLN A 43 13.283 -1.094 -11.354 1.00 0.00 C ATOM 574 OE1 GLN A 43 14.434 -1.042 -11.754 1.00 0.00 O ATOM 575 NE2 GLN A 43 12.339 -1.856 -11.900 1.00 0.00 N ATOM 0 H GLN A 43 14.010 3.519 -9.766 1.00 0.00 H new ATOM 0 HA GLN A 43 12.078 1.932 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.149 1.695 -10.984 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.560 0.981 -10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.016 -0.803 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.721 -0.141 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.394 -1.852 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.560 -2.444 -12.704 1.00 0.00 H new ATOM 584 N LEU A 44 14.981 0.888 -7.573 1.00 0.00 N ATOM 585 CA LEU A 44 15.602 0.166 -6.476 1.00 0.00 C ATOM 586 C LEU A 44 14.918 0.553 -5.164 1.00 0.00 C ATOM 587 O LEU A 44 14.613 -0.308 -4.340 1.00 0.00 O ATOM 588 CB LEU A 44 17.115 0.395 -6.472 1.00 0.00 C ATOM 589 CG LEU A 44 17.822 0.181 -5.132 1.00 0.00 C ATOM 590 CD1 LEU A 44 18.009 -1.310 -4.844 1.00 0.00 C ATOM 591 CD2 LEU A 44 19.147 0.944 -5.083 1.00 0.00 C ATOM 0 H LEU A 44 15.631 1.231 -8.280 1.00 0.00 H new ATOM 0 HA LEU A 44 15.466 -0.908 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 44 17.565 -0.271 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.309 1.415 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 44 17.188 0.585 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.514 -1.435 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.035 -1.798 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 44 18.611 -1.760 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.629 0.775 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.799 0.592 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.958 2.010 -5.212 1.00 0.00 H new ATOM 603 N HIS A 45 14.695 1.850 -5.010 1.00 0.00 N ATOM 604 CA HIS A 45 14.052 2.363 -3.812 1.00 0.00 C ATOM 605 C HIS A 45 12.554 2.057 -3.863 1.00 0.00 C ATOM 606 O HIS A 45 11.989 1.543 -2.899 1.00 0.00 O ATOM 607 CB HIS A 45 14.347 3.853 -3.632 1.00 0.00 C ATOM 608 CG HIS A 45 15.796 4.222 -3.845 1.00 0.00 C ATOM 609 ND1 HIS A 45 16.198 5.491 -4.228 1.00 0.00 N ATOM 610 CD2 HIS A 45 16.933 3.478 -3.725 1.00 0.00 C ATOM 611 CE1 HIS A 45 17.519 5.497 -4.331 1.00 0.00 C ATOM 612 NE2 HIS A 45 17.972 4.249 -4.019 1.00 0.00 N ATOM 0 H HIS A 45 14.948 2.561 -5.696 1.00 0.00 H new ATOM 0 HA HIS A 45 14.460 1.863 -2.934 1.00 0.00 H new ATOM 0 HB2 HIS A 45 13.732 4.422 -4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 45 14.050 4.153 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 45 16.980 2.438 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 45 18.130 6.342 -4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 45 18.949 3.956 -4.013 1.00 0.00 H new ATOM 620 N CYS A 46 11.954 2.386 -4.997 1.00 0.00 N ATOM 621 CA CYS A 46 10.532 2.153 -5.187 1.00 0.00 C ATOM 622 C CYS A 46 10.220 0.717 -4.761 1.00 0.00 C ATOM 623 O CYS A 46 9.189 0.460 -4.142 1.00 0.00 O ATOM 624 CB CYS A 46 10.101 2.427 -6.629 1.00 0.00 C ATOM 625 SG CYS A 46 10.340 4.197 -7.028 1.00 0.00 S ATOM 0 H CYS A 46 12.426 2.812 -5.794 1.00 0.00 H new ATOM 0 HA CYS A 46 9.962 2.847 -4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.682 1.810 -7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.054 2.154 -6.763 1.00 0.00 H new ATOM 0 HG CYS A 46 10.388 4.348 -8.318 1.00 0.00 H new ATOM 631 N GLN A 47 11.129 -0.181 -5.110 1.00 0.00 N ATOM 632 CA GLN A 47 10.964 -1.584 -4.771 1.00 0.00 C ATOM 633 C GLN A 47 10.967 -1.768 -3.252 1.00 0.00 C ATOM 634 O GLN A 47 10.010 -2.292 -2.685 1.00 0.00 O ATOM 635 CB GLN A 47 12.049 -2.438 -5.430 1.00 0.00 C ATOM 636 CG GLN A 47 11.869 -2.479 -6.949 1.00 0.00 C ATOM 637 CD GLN A 47 12.749 -3.561 -7.577 1.00 0.00 C ATOM 638 OE1 GLN A 47 12.298 -4.641 -7.923 1.00 0.00 O ATOM 639 NE2 GLN A 47 14.026 -3.214 -7.704 1.00 0.00 N ATOM 0 H GLN A 47 11.983 0.036 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 47 10.001 -1.920 -5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.032 -2.034 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.013 -3.451 -5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.823 -2.671 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.121 -1.508 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.338 -2.294 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.694 -3.868 -8.112 1.00 0.00 H new ATOM 648 N LYS A 48 12.055 -1.326 -2.638 1.00 0.00 N ATOM 649 CA LYS A 48 12.196 -1.435 -1.196 1.00 0.00 C ATOM 650 C LYS A 48 10.954 -0.849 -0.520 1.00 0.00 C ATOM 651 O LYS A 48 10.253 -1.546 0.211 1.00 0.00 O ATOM 652 CB LYS A 48 13.507 -0.795 -0.735 1.00 0.00 C ATOM 653 CG LYS A 48 14.711 -1.616 -1.201 1.00 0.00 C ATOM 654 CD LYS A 48 16.023 -0.906 -0.861 1.00 0.00 C ATOM 655 CE LYS A 48 17.185 -1.900 -0.805 1.00 0.00 C ATOM 656 NZ LYS A 48 17.973 -1.707 0.433 1.00 0.00 N ATOM 0 H LYS A 48 12.847 -0.892 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 48 12.258 -2.482 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.579 0.219 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.515 -0.716 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.691 -2.598 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.650 -1.779 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.231 -0.140 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.928 -0.398 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.801 -2.920 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.827 -1.768 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.683 -2.463 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.452 -0.784 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.339 -1.738 1.257 1.00 0.00 H new ATOM 670 N ALA A 49 10.721 0.428 -0.789 1.00 0.00 N ATOM 671 CA ALA A 49 9.577 1.116 -0.217 1.00 0.00 C ATOM 672 C ALA A 49 8.381 0.163 -0.177 1.00 0.00 C ATOM 673 O ALA A 49 8.005 -0.322 0.888 1.00 0.00 O ATOM 674 CB ALA A 49 9.287 2.383 -1.025 1.00 0.00 C ATOM 0 H ALA A 49 11.305 1.003 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 49 9.787 1.423 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.428 2.900 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.157 3.039 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.069 2.114 -2.058 1.00 0.00 H new ATOM 680 N ALA A 50 7.817 -0.077 -1.352 1.00 0.00 N ATOM 681 CA ALA A 50 6.671 -0.964 -1.465 1.00 0.00 C ATOM 682 C ALA A 50 6.893 -2.191 -0.580 1.00 0.00 C ATOM 683 O ALA A 50 6.133 -2.431 0.357 1.00 0.00 O ATOM 684 CB ALA A 50 6.456 -1.335 -2.933 1.00 0.00 C ATOM 0 H ALA A 50 8.132 0.327 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 50 5.765 -0.467 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.597 -2.000 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.274 -0.431 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.344 -1.839 -3.315 1.00 0.00 H new ATOM 690 N ILE A 51 7.938 -2.937 -0.907 1.00 0.00 N ATOM 691 CA ILE A 51 8.270 -4.134 -0.154 1.00 0.00 C ATOM 692 C ILE A 51 8.177 -3.831 1.343 1.00 0.00 C ATOM 693 O ILE A 51 7.429 -4.486 2.068 1.00 0.00 O ATOM 694 CB ILE A 51 9.631 -4.680 -0.587 1.00 0.00 C ATOM 695 CG1 ILE A 51 9.585 -5.186 -2.031 1.00 0.00 C ATOM 696 CG2 ILE A 51 10.124 -5.757 0.382 1.00 0.00 C ATOM 697 CD1 ILE A 51 10.940 -5.754 -2.456 1.00 0.00 C ATOM 0 H ILE A 51 8.567 -2.735 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 51 7.553 -4.928 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 51 10.352 -3.863 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.818 -5.955 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.303 -4.370 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.094 -6.128 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.220 -5.331 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.409 -6.580 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.880 -6.107 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.700 -4.976 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.207 -6.585 -1.803 1.00 0.00 H new ATOM 709 N ASN A 52 8.947 -2.838 1.762 1.00 0.00 N ATOM 710 CA ASN A 52 8.961 -2.440 3.160 1.00 0.00 C ATOM 711 C ASN A 52 7.522 -2.280 3.655 1.00 0.00 C ATOM 712 O ASN A 52 7.233 -2.528 4.824 1.00 0.00 O ATOM 713 CB ASN A 52 9.676 -1.100 3.344 1.00 0.00 C ATOM 714 CG ASN A 52 11.136 -1.308 3.752 1.00 0.00 C ATOM 715 OD1 ASN A 52 11.489 -1.294 4.919 1.00 0.00 O ATOM 716 ND2 ASN A 52 11.961 -1.503 2.727 1.00 0.00 N ATOM 0 H ASN A 52 9.566 -2.297 1.158 1.00 0.00 H new ATOM 0 HA ASN A 52 9.487 -3.210 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.632 -0.530 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.163 -0.511 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.956 -1.653 2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.599 -1.503 1.774 1.00 0.00 H new ATOM 723 N THR A 53 6.658 -1.867 2.739 1.00 0.00 N ATOM 724 CA THR A 53 5.256 -1.671 3.068 1.00 0.00 C ATOM 725 C THR A 53 4.401 -2.769 2.432 1.00 0.00 C ATOM 726 O THR A 53 3.224 -2.556 2.145 1.00 0.00 O ATOM 727 CB THR A 53 4.860 -0.261 2.628 1.00 0.00 C ATOM 728 OG1 THR A 53 5.538 -0.080 1.388 1.00 0.00 O ATOM 729 CG2 THR A 53 5.448 0.822 3.535 1.00 0.00 C ATOM 0 H THR A 53 6.902 -1.663 1.770 1.00 0.00 H new ATOM 0 HA THR A 53 5.086 -1.751 4.142 1.00 0.00 H new ATOM 0 HB THR A 53 3.773 -0.176 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.479 0.137 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.136 1.804 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.091 0.676 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.536 0.759 3.519 1.00 0.00 H new ATOM 737 N SER A 54 5.026 -3.920 2.230 1.00 0.00 N ATOM 738 CA SER A 54 4.337 -5.051 1.633 1.00 0.00 C ATOM 739 C SER A 54 3.487 -4.581 0.451 1.00 0.00 C ATOM 740 O SER A 54 2.472 -5.197 0.129 1.00 0.00 O ATOM 741 CB SER A 54 3.464 -5.770 2.663 1.00 0.00 C ATOM 742 OG SER A 54 3.846 -7.132 2.829 1.00 0.00 O ATOM 0 H SER A 54 6.002 -4.093 2.469 1.00 0.00 H new ATOM 0 HA SER A 54 5.086 -5.758 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.534 -5.255 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.421 -5.722 2.351 1.00 0.00 H new ATOM 0 HG SER A 54 3.266 -7.555 3.496 1.00 0.00 H new ATOM 748 N ASN A 55 3.932 -3.495 -0.163 1.00 0.00 N ATOM 749 CA ASN A 55 3.225 -2.936 -1.302 1.00 0.00 C ATOM 750 C ASN A 55 1.755 -2.726 -0.931 1.00 0.00 C ATOM 751 O ASN A 55 0.869 -2.906 -1.765 1.00 0.00 O ATOM 752 CB ASN A 55 3.279 -3.882 -2.503 1.00 0.00 C ATOM 753 CG ASN A 55 4.248 -5.039 -2.246 1.00 0.00 C ATOM 754 OD1 ASN A 55 5.514 -4.661 -2.100 1.00 0.00 O flip ATOM 755 ND2 ASN A 55 3.870 -6.197 -2.186 1.00 0.00 N flip ATOM 0 H ASN A 55 4.774 -2.987 0.107 1.00 0.00 H new ATOM 0 HA ASN A 55 3.703 -1.992 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.283 -4.275 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.591 -3.332 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.882 -6.418 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.542 -6.945 -2.014 1.00 0.00 H new ATOM 762 N ALA A 56 1.542 -2.348 0.320 1.00 0.00 N ATOM 763 CA ALA A 56 0.195 -2.112 0.812 1.00 0.00 C ATOM 764 C ALA A 56 -0.527 -1.152 -0.135 1.00 0.00 C ATOM 765 O ALA A 56 -1.702 -1.346 -0.445 1.00 0.00 O ATOM 766 CB ALA A 56 0.260 -1.579 2.244 1.00 0.00 C ATOM 0 H ALA A 56 2.280 -2.199 1.009 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.373 -3.042 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.750 -1.402 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.756 -2.310 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.821 -0.644 2.259 1.00 0.00 H new ATOM 772 N GLY A 57 0.205 -0.136 -0.569 1.00 0.00 N ATOM 773 CA GLY A 57 -0.352 0.855 -1.474 1.00 0.00 C ATOM 774 C GLY A 57 0.724 1.839 -1.938 1.00 0.00 C ATOM 775 O GLY A 57 1.693 2.088 -1.223 1.00 0.00 O ATOM 0 H GLY A 57 1.179 0.022 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.792 0.357 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.155 1.397 -0.975 1.00 0.00 H new ATOM 779 N VAL A 58 0.518 2.371 -3.134 1.00 0.00 N ATOM 780 CA VAL A 58 1.458 3.322 -3.702 1.00 0.00 C ATOM 781 C VAL A 58 1.833 4.359 -2.641 1.00 0.00 C ATOM 782 O VAL A 58 3.013 4.611 -2.404 1.00 0.00 O ATOM 783 CB VAL A 58 0.868 3.949 -4.968 1.00 0.00 C ATOM 784 CG1 VAL A 58 1.734 5.111 -5.458 1.00 0.00 C ATOM 785 CG2 VAL A 58 0.687 2.899 -6.065 1.00 0.00 C ATOM 0 H VAL A 58 -0.286 2.161 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 58 2.376 2.817 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.116 4.347 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.293 5.539 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.790 5.875 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.737 4.748 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.266 3.370 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.654 2.459 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.012 2.119 -5.714 1.00 0.00 H new ATOM 795 N GLU A 59 0.806 4.931 -2.030 1.00 0.00 N ATOM 796 CA GLU A 59 1.013 5.934 -0.999 1.00 0.00 C ATOM 797 C GLU A 59 1.951 5.397 0.084 1.00 0.00 C ATOM 798 O GLU A 59 2.865 6.095 0.519 1.00 0.00 O ATOM 799 CB GLU A 59 -0.320 6.384 -0.397 1.00 0.00 C ATOM 800 CG GLU A 59 -0.695 5.520 0.809 1.00 0.00 C ATOM 801 CD GLU A 59 -2.045 5.947 1.389 1.00 0.00 C ATOM 802 OE1 GLU A 59 -3.065 5.404 0.912 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.027 6.806 2.297 1.00 0.00 O ATOM 0 H GLU A 59 -0.172 4.719 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 59 1.480 6.806 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.252 7.429 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.104 6.321 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.738 4.472 0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.077 5.603 1.574 1.00 0.00 H new ATOM 810 N GLU A 60 1.692 4.162 0.487 1.00 0.00 N ATOM 811 CA GLU A 60 2.501 3.524 1.511 1.00 0.00 C ATOM 812 C GLU A 60 3.951 3.398 1.039 1.00 0.00 C ATOM 813 O GLU A 60 4.875 3.800 1.746 1.00 0.00 O ATOM 814 CB GLU A 60 1.928 2.157 1.890 1.00 0.00 C ATOM 815 CG GLU A 60 1.096 2.247 3.171 1.00 0.00 C ATOM 816 CD GLU A 60 1.248 0.978 4.013 1.00 0.00 C ATOM 817 OE1 GLU A 60 2.411 0.569 4.218 1.00 0.00 O ATOM 818 OE2 GLU A 60 0.197 0.447 4.432 1.00 0.00 O ATOM 0 H GLU A 60 0.933 3.586 0.123 1.00 0.00 H new ATOM 0 HA GLU A 60 2.482 4.150 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.309 1.780 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.741 1.444 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.410 3.114 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.046 2.396 2.918 1.00 0.00 H new ATOM 825 N ALA A 61 4.106 2.840 -0.153 1.00 0.00 N ATOM 826 CA ALA A 61 5.428 2.657 -0.727 1.00 0.00 C ATOM 827 C ALA A 61 6.175 3.992 -0.713 1.00 0.00 C ATOM 828 O ALA A 61 7.262 4.094 -0.147 1.00 0.00 O ATOM 829 CB ALA A 61 5.297 2.076 -2.136 1.00 0.00 C ATOM 0 H ALA A 61 3.338 2.509 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 61 6.009 1.949 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.289 1.939 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.786 1.114 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.722 2.761 -2.760 1.00 0.00 H new ATOM 835 N MET A 62 5.562 4.983 -1.345 1.00 0.00 N ATOM 836 CA MET A 62 6.155 6.307 -1.412 1.00 0.00 C ATOM 837 C MET A 62 6.467 6.841 -0.013 1.00 0.00 C ATOM 838 O MET A 62 7.593 7.253 0.261 1.00 0.00 O ATOM 839 CB MET A 62 5.191 7.263 -2.120 1.00 0.00 C ATOM 840 CG MET A 62 5.951 8.246 -3.012 1.00 0.00 C ATOM 841 SD MET A 62 4.884 9.602 -3.473 1.00 0.00 S ATOM 842 CE MET A 62 5.279 10.762 -2.175 1.00 0.00 C ATOM 0 H MET A 62 4.661 4.895 -1.815 1.00 0.00 H new ATOM 0 HA MET A 62 7.089 6.238 -1.970 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.484 6.692 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.609 7.813 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.827 8.625 -2.486 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.311 7.736 -3.905 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.362 11.076 -1.677 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.941 10.287 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.776 11.632 -2.604 1.00 0.00 H new ATOM 852 N ASN A 63 5.450 6.815 0.836 1.00 0.00 N ATOM 853 CA ASN A 63 5.602 7.291 2.201 1.00 0.00 C ATOM 854 C ASN A 63 6.922 6.772 2.773 1.00 0.00 C ATOM 855 O ASN A 63 7.673 7.525 3.391 1.00 0.00 O ATOM 856 CB ASN A 63 4.467 6.780 3.091 1.00 0.00 C ATOM 857 CG ASN A 63 3.679 7.944 3.695 1.00 0.00 C ATOM 858 OD1 ASN A 63 4.226 8.963 4.085 1.00 0.00 O ATOM 859 ND2 ASN A 63 2.366 7.737 3.751 1.00 0.00 N ATOM 0 H ASN A 63 4.518 6.472 0.605 1.00 0.00 H new ATOM 0 HA ASN A 63 5.584 8.381 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.798 6.148 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.876 6.160 3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.753 8.454 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.973 6.861 3.407 1.00 0.00 H new ATOM 866 N TRP A 64 7.164 5.489 2.547 1.00 0.00 N ATOM 867 CA TRP A 64 8.381 4.860 3.033 1.00 0.00 C ATOM 868 C TRP A 64 9.571 5.572 2.387 1.00 0.00 C ATOM 869 O TRP A 64 10.547 5.895 3.062 1.00 0.00 O ATOM 870 CB TRP A 64 8.366 3.355 2.763 1.00 0.00 C ATOM 871 CG TRP A 64 9.570 2.607 3.339 1.00 0.00 C ATOM 872 CD1 TRP A 64 9.642 1.922 4.489 1.00 0.00 C ATOM 873 CD2 TRP A 64 10.879 2.496 2.743 1.00 0.00 C ATOM 874 NE1 TRP A 64 10.898 1.380 4.676 1.00 0.00 N ATOM 875 CE2 TRP A 64 11.674 1.740 3.581 1.00 0.00 C ATOM 876 CE3 TRP A 64 11.376 3.016 1.535 1.00 0.00 C ATOM 877 CZ2 TRP A 64 13.012 1.436 3.301 1.00 0.00 C ATOM 878 CZ3 TRP A 64 12.715 2.705 1.271 1.00 0.00 C ATOM 879 CH2 TRP A 64 13.528 1.945 2.104 1.00 0.00 C ATOM 0 H TRP A 64 6.538 4.868 2.034 1.00 0.00 H new ATOM 0 HA TRP A 64 8.461 4.960 4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.453 2.930 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 64 8.330 3.190 1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 64 8.821 1.808 5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 64 11.201 0.818 5.472 1.00 0.00 H new ATOM 0 HE3 TRP A 64 10.772 3.609 0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 13.613 0.841 3.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 13.147 3.082 0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 64 14.554 1.748 1.828 1.00 0.00 H new ATOM 890 N LEU A 65 9.451 5.795 1.086 1.00 0.00 N ATOM 891 CA LEU A 65 10.505 6.463 0.341 1.00 0.00 C ATOM 892 C LEU A 65 10.769 7.837 0.959 1.00 0.00 C ATOM 893 O LEU A 65 11.920 8.242 1.113 1.00 0.00 O ATOM 894 CB LEU A 65 10.158 6.514 -1.148 1.00 0.00 C ATOM 895 CG LEU A 65 10.498 5.262 -1.959 1.00 0.00 C ATOM 896 CD1 LEU A 65 9.399 4.955 -2.978 1.00 0.00 C ATOM 897 CD2 LEU A 65 11.872 5.393 -2.620 1.00 0.00 C ATOM 0 H LEU A 65 8.640 5.525 0.529 1.00 0.00 H new ATOM 0 HA LEU A 65 11.436 5.899 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.090 6.707 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.677 7.363 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 65 10.550 4.415 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.665 4.061 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.456 4.789 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.292 5.797 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.089 4.490 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.873 6.254 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.634 5.529 -1.852 1.00 0.00 H new ATOM 909 N LEU A 66 9.683 8.517 1.297 1.00 0.00 N ATOM 910 CA LEU A 66 9.783 9.838 1.895 1.00 0.00 C ATOM 911 C LEU A 66 10.392 9.715 3.293 1.00 0.00 C ATOM 912 O LEU A 66 10.732 10.720 3.916 1.00 0.00 O ATOM 913 CB LEU A 66 8.423 10.538 1.876 1.00 0.00 C ATOM 914 CG LEU A 66 7.655 10.477 0.554 1.00 0.00 C ATOM 915 CD1 LEU A 66 6.314 11.207 0.665 1.00 0.00 C ATOM 916 CD2 LEU A 66 8.506 11.013 -0.599 1.00 0.00 C ATOM 0 H LEU A 66 8.730 8.178 1.168 1.00 0.00 H new ATOM 0 HA LEU A 66 10.450 10.472 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.800 10.099 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.572 11.585 2.139 1.00 0.00 H new ATOM 0 HG LEU A 66 7.436 9.432 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.788 11.149 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.709 10.740 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.489 12.252 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.937 10.959 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.777 12.050 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.411 10.413 -0.693 1.00 0.00 H new ATOM 928 N SER A 67 10.512 8.475 3.745 1.00 0.00 N ATOM 929 CA SER A 67 11.074 8.209 5.058 1.00 0.00 C ATOM 930 C SER A 67 12.382 7.427 4.918 1.00 0.00 C ATOM 931 O SER A 67 13.095 7.222 5.899 1.00 0.00 O ATOM 932 CB SER A 67 10.086 7.437 5.934 1.00 0.00 C ATOM 933 OG SER A 67 9.491 8.268 6.927 1.00 0.00 O ATOM 0 H SER A 67 10.230 7.644 3.225 1.00 0.00 H new ATOM 0 HA SER A 67 11.278 9.164 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.306 7.006 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.602 6.607 6.417 1.00 0.00 H new ATOM 0 HG SER A 67 8.865 7.739 7.464 1.00 0.00 H new ATOM 939 N HIS A 68 12.658 7.013 3.690 1.00 0.00 N ATOM 940 CA HIS A 68 13.868 6.258 3.409 1.00 0.00 C ATOM 941 C HIS A 68 14.590 6.875 2.210 1.00 0.00 C ATOM 942 O HIS A 68 15.403 6.215 1.564 1.00 0.00 O ATOM 943 CB HIS A 68 13.549 4.775 3.211 1.00 0.00 C ATOM 944 CG HIS A 68 13.255 4.034 4.493 1.00 0.00 C ATOM 945 ND1 HIS A 68 14.117 3.095 5.031 1.00 0.00 N ATOM 946 CD2 HIS A 68 12.186 4.103 5.337 1.00 0.00 C ATOM 947 CE1 HIS A 68 13.581 2.626 6.149 1.00 0.00 C ATOM 948 NE2 HIS A 68 12.384 3.252 6.336 1.00 0.00 N ATOM 0 H HIS A 68 12.065 7.186 2.878 1.00 0.00 H new ATOM 0 HA HIS A 68 14.543 6.313 4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.690 4.684 2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.391 4.296 2.712 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.324 4.742 5.213 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.016 1.880 6.797 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.746 3.092 7.115 1.00 0.00 H new ATOM 956 N MET A 69 14.267 8.133 1.948 1.00 0.00 N ATOM 957 CA MET A 69 14.875 8.846 0.837 1.00 0.00 C ATOM 958 C MET A 69 16.315 9.245 1.164 1.00 0.00 C ATOM 959 O MET A 69 17.203 9.126 0.321 1.00 0.00 O ATOM 960 CB MET A 69 14.056 10.100 0.526 1.00 0.00 C ATOM 961 CG MET A 69 13.267 9.931 -0.774 1.00 0.00 C ATOM 962 SD MET A 69 14.286 10.379 -2.169 1.00 0.00 S ATOM 963 CE MET A 69 13.487 9.432 -3.454 1.00 0.00 C ATOM 0 H MET A 69 13.592 8.677 2.486 1.00 0.00 H new ATOM 0 HA MET A 69 14.889 8.186 -0.030 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.370 10.304 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.719 10.961 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.932 8.899 -0.874 1.00 0.00 H new ATOM 0 HG3 MET A 69 12.374 10.555 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 69 14.237 9.062 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.958 8.589 -3.009 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.777 10.066 -3.985 1.00 0.00 H new ATOM 973 N ASP A 70 16.503 9.710 2.391 1.00 0.00 N ATOM 974 CA ASP A 70 17.820 10.127 2.840 1.00 0.00 C ATOM 975 C ASP A 70 18.381 9.080 3.804 1.00 0.00 C ATOM 976 O ASP A 70 18.720 9.398 4.943 1.00 0.00 O ATOM 977 CB ASP A 70 17.752 11.464 3.581 1.00 0.00 C ATOM 978 CG ASP A 70 17.766 12.703 2.683 1.00 0.00 C ATOM 979 OD1 ASP A 70 16.749 12.910 1.987 1.00 0.00 O ATOM 980 OD2 ASP A 70 18.793 13.414 2.713 1.00 0.00 O ATOM 0 H ASP A 70 15.765 9.807 3.088 1.00 0.00 H new ATOM 0 HA ASP A 70 18.457 10.234 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.845 11.482 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 70 18.595 11.524 4.270 1.00 0.00 H new ATOM 985 N ASP A 71 18.461 7.852 3.313 1.00 0.00 N ATOM 986 CA ASP A 71 18.975 6.757 4.117 1.00 0.00 C ATOM 987 C ASP A 71 20.088 6.043 3.347 1.00 0.00 C ATOM 988 O ASP A 71 20.126 6.089 2.119 1.00 0.00 O ATOM 989 CB ASP A 71 17.878 5.734 4.419 1.00 0.00 C ATOM 990 CG ASP A 71 17.263 5.838 5.816 1.00 0.00 C ATOM 991 OD1 ASP A 71 17.971 6.351 6.711 1.00 0.00 O ATOM 992 OD2 ASP A 71 16.100 5.403 5.959 1.00 0.00 O ATOM 0 H ASP A 71 18.178 7.591 2.368 1.00 0.00 H new ATOM 0 HA ASP A 71 19.349 7.172 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.085 5.846 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.291 4.733 4.294 1.00 0.00 H new ATOM 997 N PRO A 72 20.989 5.382 4.121 1.00 0.00 N ATOM 998 CA PRO A 72 22.100 4.659 3.525 1.00 0.00 C ATOM 999 C PRO A 72 21.626 3.347 2.896 1.00 0.00 C ATOM 1000 O PRO A 72 22.189 2.893 1.901 1.00 0.00 O ATOM 1001 CB PRO A 72 23.088 4.450 4.661 1.00 0.00 C ATOM 1002 CG PRO A 72 22.297 4.649 5.944 1.00 0.00 C ATOM 1003 CD PRO A 72 20.975 5.305 5.579 1.00 0.00 C ATOM 0 HA PRO A 72 22.566 5.205 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.523 3.451 4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.913 5.160 4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.125 3.693 6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 72 22.853 5.274 6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.129 4.717 5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.887 6.295 6.027 1.00 0.00 H new ATOM 1011 N ASP A 73 20.597 2.775 3.503 1.00 0.00 N ATOM 1012 CA ASP A 73 20.041 1.524 3.015 1.00 0.00 C ATOM 1013 C ASP A 73 19.419 1.751 1.636 1.00 0.00 C ATOM 1014 O ASP A 73 19.517 0.895 0.758 1.00 0.00 O ATOM 1015 CB ASP A 73 18.944 1.008 3.948 1.00 0.00 C ATOM 1016 CG ASP A 73 19.194 1.253 5.438 1.00 0.00 C ATOM 1017 OD1 ASP A 73 18.841 2.361 5.897 1.00 0.00 O ATOM 1018 OD2 ASP A 73 19.731 0.328 6.083 1.00 0.00 O ATOM 0 H ASP A 73 20.133 3.155 4.328 1.00 0.00 H new ATOM 0 HA ASP A 73 20.848 0.793 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.001 1.479 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.825 -0.063 3.786 1.00 0.00 H new ATOM 1023 N ILE A 74 18.794 2.910 1.487 1.00 0.00 N ATOM 1024 CA ILE A 74 18.157 3.261 0.229 1.00 0.00 C ATOM 1025 C ILE A 74 19.106 2.937 -0.926 1.00 0.00 C ATOM 1026 O ILE A 74 18.663 2.668 -2.042 1.00 0.00 O ATOM 1027 CB ILE A 74 17.690 4.718 0.253 1.00 0.00 C ATOM 1028 CG1 ILE A 74 16.462 4.914 -0.638 1.00 0.00 C ATOM 1029 CG2 ILE A 74 18.830 5.665 -0.127 1.00 0.00 C ATOM 1030 CD1 ILE A 74 15.242 4.196 -0.056 1.00 0.00 C ATOM 0 H ILE A 74 18.715 3.618 2.217 1.00 0.00 H new ATOM 0 HA ILE A 74 17.257 2.665 0.078 1.00 0.00 H new ATOM 0 HB ILE A 74 17.392 4.965 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.248 5.978 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.669 4.534 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.472 6.694 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.650 5.549 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.181 5.427 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.383 4.351 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.451 3.129 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.023 4.596 0.934 1.00 0.00 H new ATOM 1042 N ASP A 75 20.395 2.975 -0.619 1.00 0.00 N ATOM 1043 CA ASP A 75 21.411 2.690 -1.618 1.00 0.00 C ATOM 1044 C ASP A 75 21.707 1.189 -1.624 1.00 0.00 C ATOM 1045 O ASP A 75 21.936 0.601 -2.680 1.00 0.00 O ATOM 1046 CB ASP A 75 22.714 3.428 -1.305 1.00 0.00 C ATOM 1047 CG ASP A 75 22.584 4.948 -1.191 1.00 0.00 C ATOM 1048 OD1 ASP A 75 21.918 5.529 -2.075 1.00 0.00 O ATOM 1049 OD2 ASP A 75 23.154 5.495 -0.222 1.00 0.00 O ATOM 0 H ASP A 75 20.759 3.199 0.307 1.00 0.00 H new ATOM 0 HA ASP A 75 21.034 3.020 -2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 75 23.117 3.042 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 75 23.441 3.198 -2.084 1.00 0.00 H new ATOM 1054 N ALA A 76 21.693 0.611 -0.431 1.00 0.00 N ATOM 1055 CA ALA A 76 21.958 -0.810 -0.285 1.00 0.00 C ATOM 1056 C ALA A 76 21.085 -1.591 -1.270 1.00 0.00 C ATOM 1057 O ALA A 76 19.952 -1.199 -1.546 1.00 0.00 O ATOM 1058 CB ALA A 76 21.716 -1.228 1.167 1.00 0.00 C ATOM 0 H ALA A 76 21.502 1.101 0.443 1.00 0.00 H new ATOM 0 HA ALA A 76 22.999 -1.032 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 76 21.915 -2.294 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.380 -0.666 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.680 -1.022 1.437 1.00 0.00 H new ATOM 1064 N PRO A 77 21.660 -2.710 -1.785 1.00 0.00 N ATOM 1065 CA PRO A 77 20.947 -3.549 -2.733 1.00 0.00 C ATOM 1066 C PRO A 77 19.875 -4.383 -2.029 1.00 0.00 C ATOM 1067 O PRO A 77 20.017 -4.720 -0.854 1.00 0.00 O ATOM 1068 CB PRO A 77 22.021 -4.399 -3.392 1.00 0.00 C ATOM 1069 CG PRO A 77 23.227 -4.337 -2.468 1.00 0.00 C ATOM 1070 CD PRO A 77 22.999 -3.205 -1.480 1.00 0.00 C ATOM 0 HA PRO A 77 20.402 -2.970 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.681 -5.426 -3.522 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.268 -4.017 -4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 77 23.354 -5.283 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 77 24.138 -4.166 -3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 77 23.066 -3.558 -0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 77 23.747 -2.421 -1.597 1.00 0.00 H new ATOM 1078 N ILE A 78 18.825 -4.691 -2.776 1.00 0.00 N ATOM 1079 CA ILE A 78 17.729 -5.479 -2.238 1.00 0.00 C ATOM 1080 C ILE A 78 18.204 -6.914 -2.004 1.00 0.00 C ATOM 1081 O ILE A 78 18.014 -7.467 -0.922 1.00 0.00 O ATOM 1082 CB ILE A 78 16.501 -5.378 -3.145 1.00 0.00 C ATOM 1083 CG1 ILE A 78 15.794 -4.033 -2.962 1.00 0.00 C ATOM 1084 CG2 ILE A 78 15.554 -6.559 -2.920 1.00 0.00 C ATOM 1085 CD1 ILE A 78 14.807 -3.773 -4.103 1.00 0.00 C ATOM 0 H ILE A 78 18.710 -4.409 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 78 17.416 -5.085 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 78 16.836 -5.428 -4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.265 -4.023 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 78 16.532 -3.232 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.690 -6.463 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.075 -7.491 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.222 -6.566 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.318 -2.811 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.343 -3.760 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.056 -4.563 -4.122 1.00 0.00 H new ATOM 1097 N SER A 79 18.813 -7.477 -3.038 1.00 0.00 N ATOM 1098 CA SER A 79 19.318 -8.838 -2.959 1.00 0.00 C ATOM 1099 C SER A 79 20.383 -9.065 -4.033 1.00 0.00 C ATOM 1100 O SER A 79 20.134 -9.750 -5.024 1.00 0.00 O ATOM 1101 CB SER A 79 18.185 -9.855 -3.111 1.00 0.00 C ATOM 1102 OG SER A 79 17.535 -9.745 -4.375 1.00 0.00 O ATOM 0 H SER A 79 18.968 -7.016 -3.934 1.00 0.00 H new ATOM 0 HA SER A 79 19.768 -8.979 -1.976 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.584 -10.863 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.456 -9.707 -2.314 1.00 0.00 H new ATOM 0 HG SER A 79 18.195 -9.847 -5.092 1.00 0.00 H new ATOM 1108 N GLY A 80 21.546 -8.475 -3.802 1.00 0.00 N ATOM 1109 CA GLY A 80 22.650 -8.604 -4.738 1.00 0.00 C ATOM 1110 C GLY A 80 23.141 -7.231 -5.200 1.00 0.00 C ATOM 1111 O GLY A 80 22.399 -6.484 -5.836 1.00 0.00 O ATOM 0 H GLY A 80 21.748 -7.906 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 80 23.469 -9.147 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.333 -9.190 -5.601 1.00 0.00 H new ATOM 1115 N PRO A 81 24.421 -6.931 -4.851 1.00 0.00 N ATOM 1116 CA PRO A 81 25.020 -5.660 -5.223 1.00 0.00 C ATOM 1117 C PRO A 81 25.382 -5.639 -6.710 1.00 0.00 C ATOM 1118 O PRO A 81 25.184 -4.631 -7.386 1.00 0.00 O ATOM 1119 CB PRO A 81 26.229 -5.514 -4.315 1.00 0.00 C ATOM 1120 CG PRO A 81 26.531 -6.911 -3.795 1.00 0.00 C ATOM 1121 CD PRO A 81 25.329 -7.790 -4.098 1.00 0.00 C ATOM 0 HA PRO A 81 24.338 -4.820 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.081 -5.108 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.020 -4.828 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 81 27.426 -7.311 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 81 26.725 -6.886 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 81 25.616 -8.667 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.863 -8.152 -3.182 1.00 0.00 H new ATOM 1129 N SER A 82 25.907 -6.763 -7.174 1.00 0.00 N ATOM 1130 CA SER A 82 26.299 -6.886 -8.568 1.00 0.00 C ATOM 1131 C SER A 82 25.355 -7.846 -9.294 1.00 0.00 C ATOM 1132 O SER A 82 25.048 -8.923 -8.786 1.00 0.00 O ATOM 1133 CB SER A 82 27.746 -7.369 -8.692 1.00 0.00 C ATOM 1134 OG SER A 82 27.889 -8.732 -8.302 1.00 0.00 O ATOM 0 H SER A 82 26.070 -7.597 -6.610 1.00 0.00 H new ATOM 0 HA SER A 82 26.232 -5.901 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 82 28.081 -7.250 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 82 28.391 -6.745 -8.073 1.00 0.00 H new ATOM 0 HG SER A 82 28.826 -9.003 -8.397 1.00 0.00 H new ATOM 1140 N SER A 83 24.921 -7.420 -10.471 1.00 0.00 N ATOM 1141 CA SER A 83 24.017 -8.228 -11.273 1.00 0.00 C ATOM 1142 C SER A 83 24.747 -8.759 -12.508 1.00 0.00 C ATOM 1143 O SER A 83 25.362 -7.992 -13.247 1.00 0.00 O ATOM 1144 CB SER A 83 22.783 -7.426 -11.689 1.00 0.00 C ATOM 1145 OG SER A 83 21.682 -7.647 -10.812 1.00 0.00 O ATOM 0 H SER A 83 25.178 -6.526 -10.889 1.00 0.00 H new ATOM 0 HA SER A 83 23.681 -9.070 -10.667 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.028 -6.364 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.498 -7.700 -12.705 1.00 0.00 H new ATOM 0 HG SER A 83 20.914 -7.116 -11.110 1.00 0.00 H new ATOM 1151 N GLY A 84 24.654 -10.068 -12.694 1.00 0.00 N ATOM 1152 CA GLY A 84 25.298 -10.710 -13.828 1.00 0.00 C ATOM 1153 C GLY A 84 26.777 -10.327 -13.907 1.00 0.00 C ATOM 1154 O GLY A 84 27.590 -10.809 -13.120 1.00 0.00 O ATOM 0 H GLY A 84 24.143 -10.701 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 84 25.203 -11.792 -13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.794 -10.420 -14.750 1.00 0.00 H new TER 1158 GLY A 84