USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 883 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 5 SER OG : rot 180:sc= 0.0841 USER MOD Set 1.2: A 8 THR OG1 : rot -54:sc= 0.0879 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 29:sc= 0.261 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 140:sc= -0.193 (180deg=-2.89!) USER MOD Single : A 22 ASN : amide:sc= -12.1! C(o=-12!,f=-10!) USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 0.776 (180deg=0.147) USER MOD Single : A 27 SER OG : rot 180:sc= -1.38 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.5!) USER MOD Single : A 34 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.4!) USER MOD Single : A 35 MET CE :methyl -160:sc= 0 (180deg=-0.0257) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -109:sc= 0.0583! USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.282) USER MOD Single : A 44 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.044) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 51 THR OG1 : rot 49:sc= 0.0391 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 57 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.6) USER MOD Single : A 59 SER OG : rot 180:sc= -0.265 USER MOD Single : A 62 LYS NZ :NH3+ -178:sc=-0.00129 (180deg=-0.0134) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=-0.34) USER MOD Single : A 69 THR OG1 : rot -5:sc= 0.666 USER MOD Single : A 71 MET CE :methyl -132:sc= -0.901 (180deg=-5.01!) USER MOD Single : A 75 LYS NZ :NH3+ 127:sc= -0.0935 (180deg=-0.678) USER MOD Single : A 76 GLN : amide:sc= -4.95 K(o=-5,f=-10!) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0261) USER MOD Single : A 79 GLN : amide:sc= -3.84! C(o=-3.8!,f=-4.9!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00482) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.092) USER MOD Single : A 90 SER OG : rot 175:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= -1.24 USER MOD Single : A 95 ASN : amide:sc= -9.12! C(o=-9.1!,f=-15!) USER MOD Single : A 96 MET CE :methyl -110:sc= -2.67! (180deg=-5.65!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.916 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.109 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.776 34.672 13.845 1.00 0.00 N ATOM 2 CA GLY A 1 -12.801 34.119 15.186 1.00 0.00 C ATOM 3 C GLY A 1 -11.711 33.090 15.410 1.00 0.00 C ATOM 4 O GLY A 1 -11.007 32.709 14.475 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.480 35.668 13.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.104 34.135 13.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.726 34.610 13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.689 34.926 15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.773 33.660 15.368 1.00 0.00 H new ATOM 8 N SER A 2 -11.569 32.641 16.653 1.00 0.00 N ATOM 9 CA SER A 2 -10.552 31.654 16.997 1.00 0.00 C ATOM 10 C SER A 2 -11.156 30.515 17.813 1.00 0.00 C ATOM 11 O SER A 2 -11.473 30.680 18.991 1.00 0.00 O ATOM 12 CB SER A 2 -9.416 32.313 17.783 1.00 0.00 C ATOM 13 OG SER A 2 -8.419 31.368 18.127 1.00 0.00 O ATOM 0 H SER A 2 -12.145 32.945 17.438 1.00 0.00 H new ATOM 0 HA SER A 2 -10.152 31.242 16.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.974 33.112 17.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.814 32.772 18.688 1.00 0.00 H new ATOM 0 HG SER A 2 -7.704 31.814 18.627 1.00 0.00 H new ATOM 19 N SER A 3 -11.311 29.358 17.177 1.00 0.00 N ATOM 20 CA SER A 3 -11.880 28.191 17.842 1.00 0.00 C ATOM 21 C SER A 3 -11.361 26.902 17.214 1.00 0.00 C ATOM 22 O SER A 3 -11.056 26.857 16.023 1.00 0.00 O ATOM 23 CB SER A 3 -13.408 28.230 17.766 1.00 0.00 C ATOM 24 OG SER A 3 -13.954 28.952 18.856 1.00 0.00 O ATOM 0 H SER A 3 -11.051 29.204 16.203 1.00 0.00 H new ATOM 0 HA SER A 3 -11.574 28.214 18.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.717 28.692 16.828 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.801 27.213 17.765 1.00 0.00 H new ATOM 0 HG SER A 3 -13.312 29.630 19.154 1.00 0.00 H new ATOM 30 N GLY A 4 -11.264 25.853 18.025 1.00 0.00 N ATOM 31 CA GLY A 4 -10.781 24.576 17.532 1.00 0.00 C ATOM 32 C GLY A 4 -11.869 23.769 16.852 1.00 0.00 C ATOM 33 O GLY A 4 -13.033 23.826 17.247 1.00 0.00 O ATOM 0 H GLY A 4 -11.511 25.865 19.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.966 24.746 16.829 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.371 24.001 18.362 1.00 0.00 H new ATOM 37 N SER A 5 -11.489 23.015 15.825 1.00 0.00 N ATOM 38 CA SER A 5 -12.442 22.196 15.084 1.00 0.00 C ATOM 39 C SER A 5 -12.827 20.954 15.882 1.00 0.00 C ATOM 40 O SER A 5 -11.973 20.141 16.237 1.00 0.00 O ATOM 41 CB SER A 5 -11.852 21.786 13.734 1.00 0.00 C ATOM 42 OG SER A 5 -12.757 20.972 13.008 1.00 0.00 O ATOM 0 H SER A 5 -10.528 22.954 15.487 1.00 0.00 H new ATOM 0 HA SER A 5 -13.340 22.790 14.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.612 22.676 13.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.918 21.247 13.891 1.00 0.00 H new ATOM 0 HG SER A 5 -12.357 20.725 12.148 1.00 0.00 H new ATOM 48 N SER A 6 -14.119 20.814 16.161 1.00 0.00 N ATOM 49 CA SER A 6 -14.618 19.674 16.921 1.00 0.00 C ATOM 50 C SER A 6 -14.880 18.483 16.004 1.00 0.00 C ATOM 51 O SER A 6 -15.468 18.628 14.933 1.00 0.00 O ATOM 52 CB SER A 6 -15.901 20.052 17.664 1.00 0.00 C ATOM 53 OG SER A 6 -16.983 20.212 16.764 1.00 0.00 O ATOM 0 H SER A 6 -14.839 21.476 15.872 1.00 0.00 H new ATOM 0 HA SER A 6 -13.856 19.391 17.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.143 19.280 18.395 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.745 20.978 18.218 1.00 0.00 H new ATOM 0 HG SER A 6 -17.791 20.452 17.264 1.00 0.00 H new ATOM 59 N GLY A 7 -14.437 17.305 16.433 1.00 0.00 N ATOM 60 CA GLY A 7 -14.632 16.106 15.639 1.00 0.00 C ATOM 61 C GLY A 7 -14.280 16.313 14.180 1.00 0.00 C ATOM 62 O GLY A 7 -15.153 16.283 13.312 1.00 0.00 O ATOM 0 H GLY A 7 -13.947 17.160 17.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.020 15.301 16.046 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.671 15.787 15.717 1.00 0.00 H new ATOM 66 N THR A 8 -12.996 16.525 13.906 1.00 0.00 N ATOM 67 CA THR A 8 -12.531 16.740 12.542 1.00 0.00 C ATOM 68 C THR A 8 -12.637 15.463 11.717 1.00 0.00 C ATOM 69 O THR A 8 -13.347 15.420 10.713 1.00 0.00 O ATOM 70 CB THR A 8 -11.072 17.234 12.518 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.930 18.385 13.358 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.640 17.578 11.101 1.00 0.00 C ATOM 0 H THR A 8 -12.260 16.552 14.612 1.00 0.00 H new ATOM 0 HA THR A 8 -13.173 17.505 12.106 1.00 0.00 H new ATOM 0 HB THR A 8 -10.435 16.432 12.891 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.579 19.068 13.089 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.607 17.924 11.110 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.721 16.692 10.471 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.283 18.364 10.705 1.00 0.00 H new ATOM 80 N GLU A 9 -11.926 14.425 12.147 1.00 0.00 N ATOM 81 CA GLU A 9 -11.942 13.147 11.446 1.00 0.00 C ATOM 82 C GLU A 9 -13.362 12.766 11.039 1.00 0.00 C ATOM 83 O GLU A 9 -13.581 12.191 9.973 1.00 0.00 O ATOM 84 CB GLU A 9 -11.341 12.049 12.326 1.00 0.00 C ATOM 85 CG GLU A 9 -9.832 12.150 12.480 1.00 0.00 C ATOM 86 CD GLU A 9 -9.419 13.157 13.536 1.00 0.00 C ATOM 87 OE1 GLU A 9 -10.029 13.158 14.626 1.00 0.00 O ATOM 88 OE2 GLU A 9 -8.486 13.943 13.272 1.00 0.00 O ATOM 0 H GLU A 9 -11.333 14.444 12.976 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.339 13.251 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.802 12.093 13.313 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.590 11.077 11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.431 11.171 12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.391 12.431 11.524 1.00 0.00 H new ATOM 95 N ASP A 10 -14.324 13.092 11.895 1.00 0.00 N ATOM 96 CA ASP A 10 -15.724 12.786 11.626 1.00 0.00 C ATOM 97 C ASP A 10 -16.183 13.439 10.326 1.00 0.00 C ATOM 98 O ASP A 10 -16.801 12.793 9.480 1.00 0.00 O ATOM 99 CB ASP A 10 -16.603 13.257 12.786 1.00 0.00 C ATOM 100 CG ASP A 10 -18.080 13.223 12.443 1.00 0.00 C ATOM 101 OD1 ASP A 10 -18.615 12.115 12.232 1.00 0.00 O ATOM 102 OD2 ASP A 10 -18.700 14.306 12.388 1.00 0.00 O ATOM 0 H ASP A 10 -14.160 13.569 12.782 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.821 11.705 11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.420 12.626 13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.320 14.273 13.063 1.00 0.00 H new ATOM 107 N SER A 11 -15.877 14.723 10.175 1.00 0.00 N ATOM 108 CA SER A 11 -16.262 15.465 8.980 1.00 0.00 C ATOM 109 C SER A 11 -15.138 15.456 7.949 1.00 0.00 C ATOM 110 O SER A 11 -14.716 16.506 7.463 1.00 0.00 O ATOM 111 CB SER A 11 -16.624 16.907 9.344 1.00 0.00 C ATOM 112 OG SER A 11 -17.864 16.965 10.027 1.00 0.00 O ATOM 0 H SER A 11 -15.364 15.271 10.865 1.00 0.00 H new ATOM 0 HA SER A 11 -17.134 14.977 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.841 17.335 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.675 17.512 8.439 1.00 0.00 H new ATOM 0 HG SER A 11 -18.072 17.897 10.250 1.00 0.00 H new ATOM 118 N LEU A 12 -14.656 14.263 7.619 1.00 0.00 N ATOM 119 CA LEU A 12 -13.581 14.114 6.645 1.00 0.00 C ATOM 120 C LEU A 12 -14.127 14.141 5.221 1.00 0.00 C ATOM 121 O LEU A 12 -15.320 13.934 5.000 1.00 0.00 O ATOM 122 CB LEU A 12 -12.822 12.808 6.888 1.00 0.00 C ATOM 123 CG LEU A 12 -11.623 12.894 7.832 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.298 11.525 8.409 1.00 0.00 C ATOM 125 CD2 LEU A 12 -10.414 13.470 7.108 1.00 0.00 C ATOM 0 H LEU A 12 -14.993 13.384 8.012 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.896 14.953 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.521 12.074 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.476 12.428 5.927 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.881 13.561 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.442 11.606 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.158 11.150 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.061 10.836 7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.570 13.524 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.155 12.829 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.650 14.470 6.744 1.00 0.00 H new ATOM 137 N MET A 13 -13.246 14.394 4.259 1.00 0.00 N ATOM 138 CA MET A 13 -13.641 14.444 2.856 1.00 0.00 C ATOM 139 C MET A 13 -14.230 13.109 2.409 1.00 0.00 C ATOM 140 O MET A 13 -13.784 12.038 2.821 1.00 0.00 O ATOM 141 CB MET A 13 -12.440 14.803 1.979 1.00 0.00 C ATOM 142 CG MET A 13 -12.794 15.697 0.801 1.00 0.00 C ATOM 143 SD MET A 13 -11.414 16.732 0.275 1.00 0.00 S ATOM 144 CE MET A 13 -12.080 18.366 0.580 1.00 0.00 C ATOM 0 H MET A 13 -12.255 14.567 4.425 1.00 0.00 H new ATOM 0 HA MET A 13 -14.405 15.213 2.747 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.690 15.303 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.986 13.885 1.605 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.118 15.078 -0.035 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.637 16.333 1.073 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.301 19.005 0.996 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.439 18.793 -0.356 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.907 18.296 1.287 1.00 0.00 H new ATOM 154 N PRO A 14 -15.255 13.173 1.547 1.00 0.00 N ATOM 155 CA PRO A 14 -15.927 11.978 1.026 1.00 0.00 C ATOM 156 C PRO A 14 -15.043 11.188 0.068 1.00 0.00 C ATOM 157 O PRO A 14 -13.828 11.379 0.030 1.00 0.00 O ATOM 158 CB PRO A 14 -17.141 12.548 0.287 1.00 0.00 C ATOM 159 CG PRO A 14 -16.741 13.933 -0.087 1.00 0.00 C ATOM 160 CD PRO A 14 -15.838 14.416 1.014 1.00 0.00 C ATOM 0 HA PRO A 14 -16.184 11.276 1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.383 11.954 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.026 12.550 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.226 13.944 -1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.614 14.578 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.070 15.091 0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.392 14.960 1.779 1.00 0.00 H new ATOM 168 N GLU A 15 -15.661 10.301 -0.705 1.00 0.00 N ATOM 169 CA GLU A 15 -14.928 9.481 -1.664 1.00 0.00 C ATOM 170 C GLU A 15 -15.262 9.889 -3.096 1.00 0.00 C ATOM 171 O GLU A 15 -14.383 9.952 -3.954 1.00 0.00 O ATOM 172 CB GLU A 15 -15.252 8.001 -1.455 1.00 0.00 C ATOM 173 CG GLU A 15 -14.196 7.062 -2.015 1.00 0.00 C ATOM 174 CD GLU A 15 -14.478 5.607 -1.692 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.546 5.106 -2.104 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.633 4.971 -1.029 1.00 0.00 O ATOM 0 H GLU A 15 -16.667 10.131 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.862 9.639 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.367 7.810 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.210 7.778 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.142 7.186 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.221 7.337 -1.613 1.00 0.00 H new ATOM 183 N GLU A 16 -16.539 10.164 -3.344 1.00 0.00 N ATOM 184 CA GLU A 16 -16.989 10.564 -4.672 1.00 0.00 C ATOM 185 C GLU A 16 -16.442 11.940 -5.040 1.00 0.00 C ATOM 186 O GLU A 16 -15.686 12.082 -6.000 1.00 0.00 O ATOM 187 CB GLU A 16 -18.518 10.578 -4.734 1.00 0.00 C ATOM 188 CG GLU A 16 -19.071 11.266 -5.971 1.00 0.00 C ATOM 189 CD GLU A 16 -19.101 10.353 -7.181 1.00 0.00 C ATOM 190 OE1 GLU A 16 -19.172 9.121 -6.992 1.00 0.00 O ATOM 191 OE2 GLU A 16 -19.052 10.871 -8.316 1.00 0.00 O ATOM 0 H GLU A 16 -17.279 10.117 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.610 9.837 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.884 9.552 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.905 11.079 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.080 11.622 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.464 12.143 -6.197 1.00 0.00 H new ATOM 198 N GLU A 17 -16.831 12.951 -4.269 1.00 0.00 N ATOM 199 CA GLU A 17 -16.380 14.316 -4.516 1.00 0.00 C ATOM 200 C GLU A 17 -14.859 14.408 -4.444 1.00 0.00 C ATOM 201 O GLU A 17 -14.230 15.110 -5.236 1.00 0.00 O ATOM 202 CB GLU A 17 -17.009 15.275 -3.502 1.00 0.00 C ATOM 203 CG GLU A 17 -18.332 15.863 -3.960 1.00 0.00 C ATOM 204 CD GLU A 17 -18.970 16.752 -2.911 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.652 16.580 -1.715 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.787 17.620 -3.284 1.00 0.00 O ATOM 0 H GLU A 17 -17.456 12.851 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.696 14.600 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.162 14.746 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.310 16.087 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.173 16.440 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.018 15.054 -4.211 1.00 0.00 H new ATOM 213 N PHE A 18 -14.273 13.694 -3.488 1.00 0.00 N ATOM 214 CA PHE A 18 -12.826 13.696 -3.311 1.00 0.00 C ATOM 215 C PHE A 18 -12.114 13.503 -4.646 1.00 0.00 C ATOM 216 O PHE A 18 -11.293 14.327 -5.050 1.00 0.00 O ATOM 217 CB PHE A 18 -12.409 12.594 -2.334 1.00 0.00 C ATOM 218 CG PHE A 18 -10.927 12.533 -2.096 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.259 13.603 -1.525 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.203 11.404 -2.443 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.895 13.549 -1.307 1.00 0.00 C ATOM 222 CE2 PHE A 18 -8.839 11.344 -2.227 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.185 12.418 -1.656 1.00 0.00 C ATOM 0 H PHE A 18 -14.778 13.107 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.537 14.664 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.916 12.753 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.747 11.632 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.810 14.489 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.710 10.561 -2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.385 14.392 -0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.286 10.459 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.120 12.373 -1.483 1.00 0.00 H new ATOM 233 N LEU A 19 -12.434 12.408 -5.327 1.00 0.00 N ATOM 234 CA LEU A 19 -11.825 12.104 -6.618 1.00 0.00 C ATOM 235 C LEU A 19 -11.966 13.282 -7.577 1.00 0.00 C ATOM 236 O LEU A 19 -11.060 13.570 -8.360 1.00 0.00 O ATOM 237 CB LEU A 19 -12.468 10.857 -7.226 1.00 0.00 C ATOM 238 CG LEU A 19 -12.345 9.571 -6.408 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.129 8.445 -7.063 1.00 0.00 C ATOM 240 CD2 LEU A 19 -10.883 9.181 -6.244 1.00 0.00 C ATOM 0 H LEU A 19 -13.111 11.716 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.764 11.916 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.526 11.061 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.023 10.684 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.765 9.751 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.030 7.538 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.181 8.724 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.739 8.265 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.815 8.264 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.437 9.020 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.349 9.980 -5.730 1.00 0.00 H new ATOM 252 N ARG A 20 -13.106 13.962 -7.508 1.00 0.00 N ATOM 253 CA ARG A 20 -13.365 15.109 -8.369 1.00 0.00 C ATOM 254 C ARG A 20 -12.320 16.200 -8.150 1.00 0.00 C ATOM 255 O ARG A 20 -11.924 16.890 -9.089 1.00 0.00 O ATOM 256 CB ARG A 20 -14.764 15.668 -8.103 1.00 0.00 C ATOM 257 CG ARG A 20 -15.859 14.614 -8.143 1.00 0.00 C ATOM 258 CD ARG A 20 -16.039 14.051 -9.544 1.00 0.00 C ATOM 259 NE ARG A 20 -17.006 14.820 -10.323 1.00 0.00 N ATOM 260 CZ ARG A 20 -17.655 14.334 -11.375 1.00 0.00 C ATOM 261 NH1 ARG A 20 -17.441 13.087 -11.772 1.00 0.00 N ATOM 262 NH2 ARG A 20 -18.520 15.096 -12.032 1.00 0.00 N ATOM 0 H ARG A 20 -13.865 13.738 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.305 14.775 -9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.773 16.152 -7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.985 16.438 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.613 13.806 -7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.798 15.050 -7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.079 14.048 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.369 13.014 -9.478 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.193 15.783 -10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.777 12.499 -11.269 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.941 12.716 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.687 16.056 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.018 14.722 -12.840 1.00 0.00 H new ATOM 276 N ARG A 21 -11.880 16.349 -6.905 1.00 0.00 N ATOM 277 CA ARG A 21 -10.883 17.356 -6.563 1.00 0.00 C ATOM 278 C ARG A 21 -9.488 16.739 -6.495 1.00 0.00 C ATOM 279 O ARG A 21 -8.609 17.080 -7.284 1.00 0.00 O ATOM 280 CB ARG A 21 -11.228 18.012 -5.226 1.00 0.00 C ATOM 281 CG ARG A 21 -10.009 18.389 -4.399 1.00 0.00 C ATOM 282 CD ARG A 21 -10.358 19.405 -3.323 1.00 0.00 C ATOM 283 NE ARG A 21 -9.167 20.024 -2.747 1.00 0.00 N ATOM 284 CZ ARG A 21 -9.145 20.603 -1.552 1.00 0.00 C ATOM 285 NH1 ARG A 21 -10.243 20.643 -0.810 1.00 0.00 N ATOM 286 NH2 ARG A 21 -8.023 21.144 -1.096 1.00 0.00 N ATOM 0 H ARG A 21 -12.198 15.785 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.888 18.116 -7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.821 18.907 -5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.852 17.331 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.592 17.495 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.238 18.799 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.998 20.178 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.930 18.916 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.305 20.011 -3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.108 20.228 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.223 21.088 0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.176 21.116 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.007 21.588 -0.178 1.00 0.00 H new ATOM 300 N ASN A 22 -9.295 15.830 -5.545 1.00 0.00 N ATOM 301 CA ASN A 22 -8.008 15.167 -5.372 1.00 0.00 C ATOM 302 C ASN A 22 -7.794 14.106 -6.447 1.00 0.00 C ATOM 303 O ASN A 22 -7.427 12.969 -6.148 1.00 0.00 O ATOM 304 CB ASN A 22 -7.922 14.529 -3.984 1.00 0.00 C ATOM 305 CG ASN A 22 -8.010 15.553 -2.870 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.994 16.064 -2.398 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.230 15.859 -2.443 1.00 0.00 N ATOM 0 H ASN A 22 -10.013 15.536 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.224 15.918 -5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.727 13.803 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.984 13.981 -3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.352 16.542 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.045 15.411 -2.863 1.00 0.00 H new ATOM 314 N LYS A 23 -8.026 14.484 -7.699 1.00 0.00 N ATOM 315 CA LYS A 23 -7.858 13.567 -8.820 1.00 0.00 C ATOM 316 C LYS A 23 -6.570 12.763 -8.677 1.00 0.00 C ATOM 317 O LYS A 23 -6.593 11.534 -8.656 1.00 0.00 O ATOM 318 CB LYS A 23 -7.845 14.340 -10.141 1.00 0.00 C ATOM 319 CG LYS A 23 -9.095 15.172 -10.371 1.00 0.00 C ATOM 320 CD LYS A 23 -9.325 15.436 -11.849 1.00 0.00 C ATOM 321 CE LYS A 23 -10.415 16.474 -12.067 1.00 0.00 C ATOM 322 NZ LYS A 23 -11.772 15.914 -11.816 1.00 0.00 N ATOM 0 H LYS A 23 -8.331 15.421 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.700 12.875 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.974 14.995 -10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.732 13.634 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.959 14.655 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.005 16.120 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.397 15.779 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.601 14.507 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.245 17.324 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.360 16.849 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.446 16.317 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.746 14.880 -11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.073 16.153 -10.850 1.00 0.00 H new ATOM 336 N GLY A 24 -5.446 13.467 -8.576 1.00 0.00 N ATOM 337 CA GLY A 24 -4.164 12.802 -8.434 1.00 0.00 C ATOM 338 C GLY A 24 -3.318 12.901 -9.688 1.00 0.00 C ATOM 339 O GLY A 24 -3.565 13.728 -10.565 1.00 0.00 O ATOM 0 H GLY A 24 -5.401 14.486 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.621 13.241 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.328 11.752 -8.192 1.00 0.00 H new ATOM 343 N PRO A 25 -2.292 12.042 -9.783 1.00 0.00 N ATOM 344 CA PRO A 25 -1.988 11.053 -8.745 1.00 0.00 C ATOM 345 C PRO A 25 -1.458 11.697 -7.468 1.00 0.00 C ATOM 346 O PRO A 25 -1.470 12.920 -7.327 1.00 0.00 O ATOM 347 CB PRO A 25 -0.910 10.180 -9.391 1.00 0.00 C ATOM 348 CG PRO A 25 -0.265 11.062 -10.403 1.00 0.00 C ATOM 349 CD PRO A 25 -1.349 11.971 -10.912 1.00 0.00 C ATOM 0 HA PRO A 25 -2.875 10.500 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.188 9.831 -8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.344 9.295 -9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.548 11.636 -9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.165 10.475 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.959 12.955 -11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.823 11.569 -11.807 1.00 0.00 H new ATOM 357 N VAL A 26 -0.992 10.866 -6.541 1.00 0.00 N ATOM 358 CA VAL A 26 -0.456 11.355 -5.276 1.00 0.00 C ATOM 359 C VAL A 26 0.690 10.476 -4.789 1.00 0.00 C ATOM 360 O VAL A 26 0.603 9.248 -4.825 1.00 0.00 O ATOM 361 CB VAL A 26 -1.545 11.410 -4.189 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.514 12.551 -4.460 1.00 0.00 C ATOM 363 CG2 VAL A 26 -2.281 10.082 -4.105 1.00 0.00 C ATOM 0 H VAL A 26 -0.975 9.851 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.084 12.363 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.065 11.594 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.276 12.574 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.971 13.496 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.990 12.402 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.047 10.139 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.750 9.864 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.575 9.289 -3.858 1.00 0.00 H new ATOM 373 N SER A 27 1.764 11.112 -4.333 1.00 0.00 N ATOM 374 CA SER A 27 2.930 10.388 -3.841 1.00 0.00 C ATOM 375 C SER A 27 2.974 10.401 -2.316 1.00 0.00 C ATOM 376 O SER A 27 2.891 11.459 -1.691 1.00 0.00 O ATOM 377 CB SER A 27 4.214 11.001 -4.405 1.00 0.00 C ATOM 378 OG SER A 27 5.225 10.019 -4.553 1.00 0.00 O ATOM 0 H SER A 27 1.851 12.128 -4.294 1.00 0.00 H new ATOM 0 HA SER A 27 2.852 9.354 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.007 11.463 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.565 11.792 -3.742 1.00 0.00 H new ATOM 0 HG SER A 27 6.034 10.435 -4.916 1.00 0.00 H new ATOM 384 N ILE A 28 3.106 9.219 -1.723 1.00 0.00 N ATOM 385 CA ILE A 28 3.162 9.094 -0.272 1.00 0.00 C ATOM 386 C ILE A 28 4.543 8.637 0.187 1.00 0.00 C ATOM 387 O ILE A 28 5.143 7.743 -0.410 1.00 0.00 O ATOM 388 CB ILE A 28 2.105 8.103 0.249 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.220 6.767 -0.489 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.709 8.684 0.089 1.00 0.00 C ATOM 391 CD1 ILE A 28 1.722 5.587 0.316 1.00 0.00 C ATOM 0 H ILE A 28 3.176 8.334 -2.225 1.00 0.00 H new ATOM 0 HA ILE A 28 2.954 10.082 0.139 1.00 0.00 H new ATOM 0 HB ILE A 28 2.284 7.928 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.656 6.826 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.263 6.599 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.027 7.971 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.634 9.612 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.517 8.885 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.834 4.674 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.302 5.502 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.670 5.733 0.563 1.00 0.00 H new ATOM 403 N LYS A 29 5.040 9.255 1.253 1.00 0.00 N ATOM 404 CA LYS A 29 6.349 8.910 1.796 1.00 0.00 C ATOM 405 C LYS A 29 6.217 7.902 2.934 1.00 0.00 C ATOM 406 O LYS A 29 5.622 8.195 3.971 1.00 0.00 O ATOM 407 CB LYS A 29 7.064 10.168 2.295 1.00 0.00 C ATOM 408 CG LYS A 29 8.039 10.752 1.288 1.00 0.00 C ATOM 409 CD LYS A 29 8.804 11.928 1.871 1.00 0.00 C ATOM 410 CE LYS A 29 9.216 12.917 0.790 1.00 0.00 C ATOM 411 NZ LYS A 29 10.375 12.421 -0.002 1.00 0.00 N ATOM 0 H LYS A 29 4.556 9.997 1.758 1.00 0.00 H new ATOM 0 HA LYS A 29 6.938 8.457 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.320 10.923 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.601 9.931 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.741 9.981 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.496 11.074 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.185 12.434 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.691 11.565 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.373 13.100 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.472 13.872 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.625 13.123 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.188 12.271 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.123 11.523 -0.461 1.00 0.00 H new ATOM 425 N VAL A 30 6.778 6.714 2.733 1.00 0.00 N ATOM 426 CA VAL A 30 6.726 5.664 3.743 1.00 0.00 C ATOM 427 C VAL A 30 7.906 5.765 4.703 1.00 0.00 C ATOM 428 O VAL A 30 9.041 5.459 4.340 1.00 0.00 O ATOM 429 CB VAL A 30 6.721 4.265 3.099 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.705 3.184 4.169 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.534 4.115 2.160 1.00 0.00 C ATOM 0 H VAL A 30 7.274 6.455 1.880 1.00 0.00 H new ATOM 0 HA VAL A 30 5.798 5.804 4.297 1.00 0.00 H new ATOM 0 HB VAL A 30 7.634 4.150 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.702 2.203 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.591 3.281 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.811 3.293 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.546 3.121 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.608 4.250 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.595 4.867 1.373 1.00 0.00 H new ATOM 441 N GLN A 31 7.628 6.196 5.930 1.00 0.00 N ATOM 442 CA GLN A 31 8.668 6.338 6.942 1.00 0.00 C ATOM 443 C GLN A 31 9.109 4.975 7.465 1.00 0.00 C ATOM 444 O GLN A 31 8.476 4.405 8.354 1.00 0.00 O ATOM 445 CB GLN A 31 8.167 7.204 8.100 1.00 0.00 C ATOM 446 CG GLN A 31 9.280 7.734 8.989 1.00 0.00 C ATOM 447 CD GLN A 31 10.237 6.647 9.436 1.00 0.00 C ATOM 448 OE1 GLN A 31 9.966 5.919 10.392 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.365 6.530 8.746 1.00 0.00 N ATOM 0 H GLN A 31 6.693 6.452 6.246 1.00 0.00 H new ATOM 0 HA GLN A 31 9.527 6.824 6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.604 8.045 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.476 6.620 8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.835 8.503 8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.843 8.211 9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.550 7.154 7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.047 5.816 9.001 1.00 0.00 H new ATOM 458 N VAL A 32 10.197 4.456 6.906 1.00 0.00 N ATOM 459 CA VAL A 32 10.724 3.160 7.315 1.00 0.00 C ATOM 460 C VAL A 32 11.566 3.283 8.580 1.00 0.00 C ATOM 461 O VAL A 32 12.656 3.855 8.576 1.00 0.00 O ATOM 462 CB VAL A 32 11.578 2.524 6.203 1.00 0.00 C ATOM 463 CG1 VAL A 32 11.992 1.112 6.589 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.820 2.524 4.884 1.00 0.00 C ATOM 0 H VAL A 32 10.731 4.914 6.168 1.00 0.00 H new ATOM 0 HA VAL A 32 9.865 2.519 7.514 1.00 0.00 H new ATOM 0 HB VAL A 32 12.482 3.120 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.595 0.679 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.576 1.143 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.102 0.502 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.438 2.071 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.899 1.952 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.579 3.549 4.603 1.00 0.00 H new ATOM 474 N PRO A 33 11.051 2.734 9.690 1.00 0.00 N ATOM 475 CA PRO A 33 11.739 2.769 10.984 1.00 0.00 C ATOM 476 C PRO A 33 12.980 1.883 11.004 1.00 0.00 C ATOM 477 O PRO A 33 13.060 0.894 10.276 1.00 0.00 O ATOM 478 CB PRO A 33 10.687 2.238 11.960 1.00 0.00 C ATOM 479 CG PRO A 33 9.789 1.392 11.126 1.00 0.00 C ATOM 480 CD PRO A 33 9.756 2.037 9.768 1.00 0.00 C ATOM 0 HA PRO A 33 12.099 3.769 11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.147 1.658 12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.138 3.053 12.432 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.163 0.370 11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.790 1.340 11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.649 1.298 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.920 2.730 9.672 1.00 0.00 H new ATOM 488 N ASN A 34 13.947 2.245 11.841 1.00 0.00 N ATOM 489 CA ASN A 34 15.184 1.482 11.956 1.00 0.00 C ATOM 490 C ASN A 34 15.038 0.357 12.975 1.00 0.00 C ATOM 491 O ASN A 34 14.867 0.606 14.169 1.00 0.00 O ATOM 492 CB ASN A 34 16.340 2.402 12.357 1.00 0.00 C ATOM 493 CG ASN A 34 17.654 1.657 12.484 1.00 0.00 C ATOM 494 OD1 ASN A 34 17.692 0.515 12.942 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.742 2.302 12.077 1.00 0.00 N ATOM 0 H ASN A 34 13.897 3.062 12.450 1.00 0.00 H new ATOM 0 HA ASN A 34 15.400 1.040 10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.445 3.194 11.615 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.105 2.883 13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.655 1.851 12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.664 3.248 11.704 1.00 0.00 H new ATOM 502 N MET A 35 15.106 -0.881 12.497 1.00 0.00 N ATOM 503 CA MET A 35 14.983 -2.045 13.367 1.00 0.00 C ATOM 504 C MET A 35 16.354 -2.519 13.838 1.00 0.00 C ATOM 505 O MET A 35 17.060 -3.220 13.114 1.00 0.00 O ATOM 506 CB MET A 35 14.261 -3.179 12.638 1.00 0.00 C ATOM 507 CG MET A 35 12.752 -3.159 12.827 1.00 0.00 C ATOM 508 SD MET A 35 12.255 -3.630 14.495 1.00 0.00 S ATOM 509 CE MET A 35 11.554 -2.092 15.086 1.00 0.00 C ATOM 0 H MET A 35 15.246 -1.104 11.512 1.00 0.00 H new ATOM 0 HA MET A 35 14.399 -1.755 14.240 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.487 -3.117 11.573 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.651 -4.134 12.992 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.376 -2.160 12.608 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.291 -3.837 12.109 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.529 -2.099 16.176 1.00 0.00 H new ATOM 0 HE2 MET A 35 12.166 -1.258 14.742 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.541 -1.982 14.700 1.00 0.00 H new ATOM 519 N GLN A 36 16.724 -2.131 15.054 1.00 0.00 N ATOM 520 CA GLN A 36 18.012 -2.516 15.620 1.00 0.00 C ATOM 521 C GLN A 36 18.072 -4.021 15.860 1.00 0.00 C ATOM 522 O GLN A 36 19.107 -4.555 16.259 1.00 0.00 O ATOM 523 CB GLN A 36 18.261 -1.768 16.931 1.00 0.00 C ATOM 524 CG GLN A 36 17.756 -2.508 18.159 1.00 0.00 C ATOM 525 CD GLN A 36 18.167 -1.836 19.454 1.00 0.00 C ATOM 526 OE1 GLN A 36 18.840 -2.437 20.292 1.00 0.00 O ATOM 527 NE2 GLN A 36 17.763 -0.583 19.626 1.00 0.00 N ATOM 0 H GLN A 36 16.151 -1.551 15.666 1.00 0.00 H new ATOM 0 HA GLN A 36 18.790 -2.249 14.905 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.331 -1.588 17.040 1.00 0.00 H new ATOM 0 HB3 GLN A 36 17.777 -0.792 16.881 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.669 -2.574 18.117 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.138 -3.529 18.146 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.207 -0.123 18.905 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.009 -0.080 20.479 1.00 0.00 H new ATOM 536 N ASP A 37 16.957 -4.700 15.615 1.00 0.00 N ATOM 537 CA ASP A 37 16.883 -6.144 15.804 1.00 0.00 C ATOM 538 C ASP A 37 17.558 -6.878 14.650 1.00 0.00 C ATOM 539 O ASP A 37 17.940 -8.041 14.779 1.00 0.00 O ATOM 540 CB ASP A 37 15.425 -6.590 15.925 1.00 0.00 C ATOM 541 CG ASP A 37 14.888 -6.440 17.335 1.00 0.00 C ATOM 542 OD1 ASP A 37 15.213 -5.426 17.988 1.00 0.00 O ATOM 543 OD2 ASP A 37 14.145 -7.337 17.786 1.00 0.00 O ATOM 0 H ASP A 37 16.091 -4.273 15.285 1.00 0.00 H new ATOM 0 HA ASP A 37 17.408 -6.392 16.726 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.811 -6.004 15.241 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.340 -7.632 15.616 1.00 0.00 H new ATOM 548 N LYS A 38 17.701 -6.191 13.521 1.00 0.00 N ATOM 549 CA LYS A 38 18.330 -6.777 12.343 1.00 0.00 C ATOM 550 C LYS A 38 17.527 -7.969 11.833 1.00 0.00 C ATOM 551 O LYS A 38 18.084 -9.026 11.535 1.00 0.00 O ATOM 552 CB LYS A 38 19.760 -7.215 12.668 1.00 0.00 C ATOM 553 CG LYS A 38 20.620 -6.103 13.245 1.00 0.00 C ATOM 554 CD LYS A 38 21.242 -5.253 12.150 1.00 0.00 C ATOM 555 CE LYS A 38 20.349 -4.078 11.781 1.00 0.00 C ATOM 556 NZ LYS A 38 21.086 -3.044 11.004 1.00 0.00 N ATOM 0 H LYS A 38 17.390 -5.228 13.397 1.00 0.00 H new ATOM 0 HA LYS A 38 18.357 -6.018 11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 38 19.726 -8.042 13.378 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.230 -7.593 11.760 1.00 0.00 H new ATOM 0 HG2 LYS A 38 20.013 -5.473 13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 21.407 -6.534 13.863 1.00 0.00 H new ATOM 0 HD2 LYS A 38 22.212 -4.884 12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 38 21.420 -5.868 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.501 -4.436 11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.944 -3.630 12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.443 -2.260 10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 21.880 -2.684 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 21.451 -3.464 10.125 1.00 0.00 H new ATOM 570 N THR A 39 16.213 -7.791 11.732 1.00 0.00 N ATOM 571 CA THR A 39 15.333 -8.851 11.257 1.00 0.00 C ATOM 572 C THR A 39 15.508 -9.082 9.760 1.00 0.00 C ATOM 573 O THR A 39 16.380 -8.485 9.129 1.00 0.00 O ATOM 574 CB THR A 39 13.855 -8.525 11.545 1.00 0.00 C ATOM 575 OG1 THR A 39 13.019 -9.594 11.085 1.00 0.00 O ATOM 576 CG2 THR A 39 13.445 -7.227 10.867 1.00 0.00 C ATOM 0 H THR A 39 15.735 -6.923 11.973 1.00 0.00 H new ATOM 0 HA THR A 39 15.610 -9.757 11.796 1.00 0.00 H new ATOM 0 HB THR A 39 13.735 -8.407 12.622 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.517 -9.301 10.296 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.398 -7.018 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.063 -6.411 11.240 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.580 -7.321 9.789 1.00 0.00 H new ATOM 584 N GLU A 40 14.674 -9.951 9.198 1.00 0.00 N ATOM 585 CA GLU A 40 14.738 -10.260 7.775 1.00 0.00 C ATOM 586 C GLU A 40 13.962 -9.231 6.959 1.00 0.00 C ATOM 587 O GLU A 40 13.393 -9.551 5.915 1.00 0.00 O ATOM 588 CB GLU A 40 14.184 -11.661 7.509 1.00 0.00 C ATOM 589 CG GLU A 40 12.730 -11.828 7.917 1.00 0.00 C ATOM 590 CD GLU A 40 12.379 -13.266 8.249 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.162 -14.056 7.307 1.00 0.00 O ATOM 592 OE2 GLU A 40 12.321 -13.599 9.451 1.00 0.00 O ATOM 0 H GLU A 40 13.946 -10.453 9.707 1.00 0.00 H new ATOM 0 HA GLU A 40 15.784 -10.227 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.283 -11.886 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.790 -12.390 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.525 -11.199 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.087 -11.478 7.109 1.00 0.00 H new ATOM 599 N TRP A 41 13.943 -7.994 7.443 1.00 0.00 N ATOM 600 CA TRP A 41 13.236 -6.917 6.759 1.00 0.00 C ATOM 601 C TRP A 41 14.174 -5.752 6.463 1.00 0.00 C ATOM 602 O TRP A 41 14.992 -5.371 7.301 1.00 0.00 O ATOM 603 CB TRP A 41 12.056 -6.436 7.605 1.00 0.00 C ATOM 604 CG TRP A 41 11.120 -7.538 8.001 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.868 -8.686 7.307 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.312 -7.593 9.181 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.950 -9.453 7.985 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.595 -8.805 9.138 1.00 0.00 C ATOM 609 CE3 TRP A 41 10.126 -6.739 10.271 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.706 -9.179 10.142 1.00 0.00 C ATOM 611 CZ3 TRP A 41 9.243 -7.112 11.267 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.543 -8.324 11.198 1.00 0.00 C ATOM 0 H TRP A 41 14.409 -7.712 8.306 1.00 0.00 H new ATOM 0 HA TRP A 41 12.861 -7.306 5.813 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.437 -5.952 8.504 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.502 -5.681 7.047 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.323 -8.953 6.364 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.592 -10.358 7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.663 -5.804 10.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.164 -10.112 10.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.090 -6.458 12.113 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.862 -8.588 11.993 1.00 0.00 H new ATOM 623 N LYS A 42 14.051 -5.188 5.266 1.00 0.00 N ATOM 624 CA LYS A 42 14.887 -4.065 4.860 1.00 0.00 C ATOM 625 C LYS A 42 14.484 -2.792 5.597 1.00 0.00 C ATOM 626 O LYS A 42 13.909 -1.876 5.007 1.00 0.00 O ATOM 627 CB LYS A 42 14.783 -3.846 3.349 1.00 0.00 C ATOM 628 CG LYS A 42 15.641 -4.800 2.536 1.00 0.00 C ATOM 629 CD LYS A 42 15.981 -4.221 1.173 1.00 0.00 C ATOM 630 CE LYS A 42 17.307 -3.476 1.199 1.00 0.00 C ATOM 631 NZ LYS A 42 17.120 -2.021 1.458 1.00 0.00 N ATOM 0 H LYS A 42 13.380 -5.491 4.560 1.00 0.00 H new ATOM 0 HA LYS A 42 15.919 -4.301 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.742 -3.958 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.075 -2.821 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.560 -5.017 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.115 -5.746 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.028 -5.024 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.188 -3.544 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.948 -3.903 1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.819 -3.613 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.989 -1.509 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.328 -1.665 0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.912 -1.872 2.466 1.00 0.00 H new ATOM 645 N LEU A 43 14.789 -2.740 6.889 1.00 0.00 N ATOM 646 CA LEU A 43 14.460 -1.578 7.707 1.00 0.00 C ATOM 647 C LEU A 43 15.718 -0.964 8.313 1.00 0.00 C ATOM 648 O LEU A 43 16.247 -1.462 9.305 1.00 0.00 O ATOM 649 CB LEU A 43 13.485 -1.971 8.818 1.00 0.00 C ATOM 650 CG LEU A 43 12.215 -2.696 8.371 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.522 -3.342 9.561 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.274 -1.735 7.660 1.00 0.00 C ATOM 0 H LEU A 43 15.264 -3.489 7.393 1.00 0.00 H new ATOM 0 HA LEU A 43 13.989 -0.835 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.012 -2.608 9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.194 -1.068 9.355 1.00 0.00 H new ATOM 0 HG LEU A 43 12.496 -3.482 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.620 -3.853 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.195 -4.062 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.254 -2.574 10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.376 -2.269 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.000 -0.926 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.772 -1.321 6.783 1.00 0.00 H new ATOM 664 N ASN A 44 16.190 0.122 7.709 1.00 0.00 N ATOM 665 CA ASN A 44 17.385 0.805 8.190 1.00 0.00 C ATOM 666 C ASN A 44 17.172 2.315 8.224 1.00 0.00 C ATOM 667 O ASN A 44 17.967 3.078 7.676 1.00 0.00 O ATOM 668 CB ASN A 44 18.584 0.468 7.301 1.00 0.00 C ATOM 669 CG ASN A 44 18.819 -1.026 7.190 1.00 0.00 C ATOM 670 OD1 ASN A 44 19.179 -1.683 8.167 1.00 0.00 O ATOM 671 ND2 ASN A 44 18.617 -1.570 5.996 1.00 0.00 N ATOM 0 H ASN A 44 15.763 0.547 6.886 1.00 0.00 H new ATOM 0 HA ASN A 44 17.586 0.461 9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.423 0.883 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.477 0.945 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.760 -2.571 5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 44 18.319 -0.987 5.214 1.00 0.00 H new ATOM 678 N GLY A 45 16.092 2.741 8.874 1.00 0.00 N ATOM 679 CA GLY A 45 15.794 4.158 8.968 1.00 0.00 C ATOM 680 C GLY A 45 15.924 4.868 7.635 1.00 0.00 C ATOM 681 O GLY A 45 16.985 5.398 7.308 1.00 0.00 O ATOM 0 H GLY A 45 15.419 2.130 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.781 4.288 9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.467 4.621 9.690 1.00 0.00 H new ATOM 685 N GLN A 46 14.842 4.876 6.863 1.00 0.00 N ATOM 686 CA GLN A 46 14.841 5.523 5.556 1.00 0.00 C ATOM 687 C GLN A 46 13.418 5.845 5.110 1.00 0.00 C ATOM 688 O GLN A 46 12.457 5.588 5.832 1.00 0.00 O ATOM 689 CB GLN A 46 15.524 4.630 4.520 1.00 0.00 C ATOM 690 CG GLN A 46 14.848 3.280 4.341 1.00 0.00 C ATOM 691 CD GLN A 46 15.600 2.372 3.388 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.636 2.751 2.839 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.083 1.166 3.186 1.00 0.00 N ATOM 0 H GLN A 46 13.955 4.442 7.120 1.00 0.00 H new ATOM 0 HA GLN A 46 15.396 6.457 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.542 5.148 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.561 4.471 4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.761 2.790 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.835 3.432 3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.223 0.894 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.546 0.512 2.555 1.00 0.00 H new ATOM 702 N GLY A 47 13.293 6.411 3.913 1.00 0.00 N ATOM 703 CA GLY A 47 11.985 6.759 3.390 1.00 0.00 C ATOM 704 C GLY A 47 11.751 6.208 1.998 1.00 0.00 C ATOM 705 O GLY A 47 12.582 6.383 1.105 1.00 0.00 O ATOM 0 H GLY A 47 14.074 6.635 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.216 6.378 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.882 7.844 3.370 1.00 0.00 H new ATOM 709 N LEU A 48 10.618 5.540 1.810 1.00 0.00 N ATOM 710 CA LEU A 48 10.277 4.960 0.516 1.00 0.00 C ATOM 711 C LEU A 48 9.046 5.637 -0.077 1.00 0.00 C ATOM 712 O LEU A 48 7.961 5.593 0.502 1.00 0.00 O ATOM 713 CB LEU A 48 10.028 3.457 0.659 1.00 0.00 C ATOM 714 CG LEU A 48 11.137 2.655 1.341 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.703 1.212 1.546 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.420 2.717 0.524 1.00 0.00 C ATOM 0 H LEU A 48 9.920 5.387 2.538 1.00 0.00 H new ATOM 0 HA LEU A 48 11.117 5.120 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.105 3.314 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.864 3.040 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 48 11.330 3.097 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.505 0.657 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.811 1.186 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.481 0.758 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.198 2.141 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.241 2.300 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.741 3.754 0.429 1.00 0.00 H new ATOM 728 N VAL A 49 9.221 6.261 -1.238 1.00 0.00 N ATOM 729 CA VAL A 49 8.124 6.944 -1.912 1.00 0.00 C ATOM 730 C VAL A 49 7.435 6.023 -2.912 1.00 0.00 C ATOM 731 O VAL A 49 8.060 5.130 -3.484 1.00 0.00 O ATOM 732 CB VAL A 49 8.615 8.206 -2.647 1.00 0.00 C ATOM 733 CG1 VAL A 49 8.476 9.431 -1.756 1.00 0.00 C ATOM 734 CG2 VAL A 49 10.056 8.029 -3.103 1.00 0.00 C ATOM 0 H VAL A 49 10.113 6.307 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 49 7.412 7.236 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 49 7.994 8.356 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.828 10.313 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.429 9.566 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.071 9.294 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.387 8.929 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.693 7.854 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.121 7.177 -3.780 1.00 0.00 H new ATOM 744 N PHE A 50 6.141 6.246 -3.119 1.00 0.00 N ATOM 745 CA PHE A 50 5.365 5.436 -4.051 1.00 0.00 C ATOM 746 C PHE A 50 4.215 6.242 -4.646 1.00 0.00 C ATOM 747 O PHE A 50 3.241 6.556 -3.960 1.00 0.00 O ATOM 748 CB PHE A 50 4.820 4.192 -3.346 1.00 0.00 C ATOM 749 CG PHE A 50 5.865 3.431 -2.580 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.877 2.758 -3.244 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.833 3.390 -1.195 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.840 2.057 -2.541 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.793 2.692 -0.487 1.00 0.00 C ATOM 754 CZ PHE A 50 7.797 2.024 -1.161 1.00 0.00 C ATOM 0 H PHE A 50 5.608 6.981 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 50 6.025 5.127 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.025 4.490 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.371 3.531 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.915 2.781 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.049 3.909 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.624 1.536 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.758 2.669 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.547 1.477 -0.610 1.00 0.00 H new ATOM 764 N THR A 51 4.334 6.577 -5.927 1.00 0.00 N ATOM 765 CA THR A 51 3.306 7.348 -6.614 1.00 0.00 C ATOM 766 C THR A 51 2.197 6.442 -7.138 1.00 0.00 C ATOM 767 O THR A 51 2.349 5.793 -8.174 1.00 0.00 O ATOM 768 CB THR A 51 3.897 8.149 -7.790 1.00 0.00 C ATOM 769 OG1 THR A 51 4.880 7.363 -8.473 1.00 0.00 O ATOM 770 CG2 THR A 51 4.526 9.444 -7.300 1.00 0.00 C ATOM 0 H THR A 51 5.133 6.326 -6.510 1.00 0.00 H new ATOM 0 HA THR A 51 2.890 8.042 -5.883 1.00 0.00 H new ATOM 0 HB THR A 51 3.088 8.394 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.515 6.473 -8.660 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.937 9.993 -8.148 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.768 10.053 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.325 9.216 -6.594 1.00 0.00 H new ATOM 778 N LEU A 52 1.082 6.403 -6.418 1.00 0.00 N ATOM 779 CA LEU A 52 -0.054 5.577 -6.810 1.00 0.00 C ATOM 780 C LEU A 52 -1.352 6.378 -6.765 1.00 0.00 C ATOM 781 O LEU A 52 -1.605 7.143 -5.835 1.00 0.00 O ATOM 782 CB LEU A 52 -0.163 4.356 -5.895 1.00 0.00 C ATOM 783 CG LEU A 52 1.138 3.597 -5.632 1.00 0.00 C ATOM 784 CD1 LEU A 52 0.933 2.545 -4.553 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.650 2.956 -6.914 1.00 0.00 C ATOM 0 H LEU A 52 0.940 6.934 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 52 0.109 5.242 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.571 4.680 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.883 3.663 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 52 1.886 4.307 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.869 2.015 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.613 3.028 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.170 1.837 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.577 2.420 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.904 2.258 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.836 3.730 -7.659 1.00 0.00 H new ATOM 797 N PRO A 53 -2.195 6.198 -7.793 1.00 0.00 N ATOM 798 CA PRO A 53 -3.482 6.893 -7.892 1.00 0.00 C ATOM 799 C PRO A 53 -4.486 6.404 -6.854 1.00 0.00 C ATOM 800 O PRO A 53 -4.385 5.281 -6.358 1.00 0.00 O ATOM 801 CB PRO A 53 -3.962 6.550 -9.304 1.00 0.00 C ATOM 802 CG PRO A 53 -3.291 5.261 -9.630 1.00 0.00 C ATOM 803 CD PRO A 53 -1.957 5.301 -8.936 1.00 0.00 C ATOM 0 HA PRO A 53 -3.383 7.963 -7.709 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.047 6.452 -9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.689 7.329 -10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.885 4.414 -9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.167 5.147 -10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.643 4.309 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.174 5.684 -9.591 1.00 0.00 H new ATOM 811 N LEU A 54 -5.456 7.252 -6.530 1.00 0.00 N ATOM 812 CA LEU A 54 -6.480 6.906 -5.551 1.00 0.00 C ATOM 813 C LEU A 54 -7.617 6.127 -6.205 1.00 0.00 C ATOM 814 O LEU A 54 -8.630 6.702 -6.605 1.00 0.00 O ATOM 815 CB LEU A 54 -7.029 8.171 -4.889 1.00 0.00 C ATOM 816 CG LEU A 54 -5.988 9.142 -4.332 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.496 10.573 -4.412 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.634 8.780 -2.897 1.00 0.00 C ATOM 0 H LEU A 54 -5.555 8.185 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.021 6.275 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.639 8.703 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.691 7.873 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.086 9.064 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.742 11.250 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.698 10.830 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.413 10.667 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.892 9.482 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.530 8.829 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.227 7.769 -2.867 1.00 0.00 H new ATOM 830 N THR A 55 -7.444 4.813 -6.309 1.00 0.00 N ATOM 831 CA THR A 55 -8.455 3.954 -6.913 1.00 0.00 C ATOM 832 C THR A 55 -8.814 2.795 -5.991 1.00 0.00 C ATOM 833 O THR A 55 -9.978 2.608 -5.635 1.00 0.00 O ATOM 834 CB THR A 55 -7.979 3.391 -8.265 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.664 2.841 -8.132 1.00 0.00 O ATOM 836 CG2 THR A 55 -7.975 4.477 -9.332 1.00 0.00 C ATOM 0 H THR A 55 -6.613 4.320 -5.983 1.00 0.00 H new ATOM 0 HA THR A 55 -9.338 4.572 -7.076 1.00 0.00 H new ATOM 0 HB THR A 55 -8.671 2.606 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.370 2.484 -8.996 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.635 4.056 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.983 4.873 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.303 5.281 -9.031 1.00 0.00 H new ATOM 844 N ASP A 56 -7.807 2.018 -5.606 1.00 0.00 N ATOM 845 CA ASP A 56 -8.016 0.877 -4.722 1.00 0.00 C ATOM 846 C ASP A 56 -7.860 1.285 -3.261 1.00 0.00 C ATOM 847 O ASP A 56 -7.676 2.462 -2.952 1.00 0.00 O ATOM 848 CB ASP A 56 -7.031 -0.244 -5.060 1.00 0.00 C ATOM 849 CG ASP A 56 -7.506 -1.104 -6.215 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.155 -0.559 -7.131 1.00 0.00 O ATOM 851 OD2 ASP A 56 -7.228 -2.321 -6.201 1.00 0.00 O ATOM 0 H ASP A 56 -6.838 2.158 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.033 0.514 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.063 0.190 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.883 -0.871 -4.181 1.00 0.00 H new ATOM 856 N GLN A 57 -7.937 0.305 -2.367 1.00 0.00 N ATOM 857 CA GLN A 57 -7.806 0.563 -0.938 1.00 0.00 C ATOM 858 C GLN A 57 -6.339 0.670 -0.536 1.00 0.00 C ATOM 859 O GLN A 57 -5.448 0.635 -1.384 1.00 0.00 O ATOM 860 CB GLN A 57 -8.489 -0.544 -0.133 1.00 0.00 C ATOM 861 CG GLN A 57 -10.004 -0.541 -0.257 1.00 0.00 C ATOM 862 CD GLN A 57 -10.616 -1.896 0.038 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.920 -2.833 0.429 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.926 -2.007 -0.149 1.00 0.00 N ATOM 0 H GLN A 57 -8.089 -0.675 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.293 1.513 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.108 -1.510 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.219 -0.437 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.419 0.198 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.282 -0.233 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.465 -1.204 -0.474 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.394 -2.895 0.033 1.00 0.00 H new ATOM 873 N VAL A 58 -6.094 0.799 0.765 1.00 0.00 N ATOM 874 CA VAL A 58 -4.735 0.910 1.279 1.00 0.00 C ATOM 875 C VAL A 58 -3.983 -0.408 1.133 1.00 0.00 C ATOM 876 O VAL A 58 -2.766 -0.423 0.949 1.00 0.00 O ATOM 877 CB VAL A 58 -4.728 1.331 2.761 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.305 1.559 3.245 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.576 2.577 2.965 1.00 0.00 C ATOM 0 H VAL A 58 -6.820 0.829 1.481 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.235 1.678 0.688 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.162 0.524 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.321 1.856 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.732 0.638 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.841 2.347 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.560 2.860 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.175 3.393 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.602 2.373 2.660 1.00 0.00 H new ATOM 889 N SER A 59 -4.716 -1.513 1.216 1.00 0.00 N ATOM 890 CA SER A 59 -4.117 -2.838 1.096 1.00 0.00 C ATOM 891 C SER A 59 -2.955 -2.821 0.108 1.00 0.00 C ATOM 892 O SER A 59 -1.831 -3.192 0.447 1.00 0.00 O ATOM 893 CB SER A 59 -5.168 -3.856 0.649 1.00 0.00 C ATOM 894 OG SER A 59 -5.625 -3.575 -0.662 1.00 0.00 O ATOM 0 H SER A 59 -5.725 -1.518 1.366 1.00 0.00 H new ATOM 0 HA SER A 59 -3.734 -3.128 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.744 -4.860 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.010 -3.842 1.342 1.00 0.00 H new ATOM 0 HG SER A 59 -6.294 -4.241 -0.925 1.00 0.00 H new ATOM 900 N VAL A 60 -3.235 -2.389 -1.118 1.00 0.00 N ATOM 901 CA VAL A 60 -2.214 -2.323 -2.157 1.00 0.00 C ATOM 902 C VAL A 60 -0.950 -1.644 -1.642 1.00 0.00 C ATOM 903 O VAL A 60 0.163 -2.100 -1.908 1.00 0.00 O ATOM 904 CB VAL A 60 -2.723 -1.563 -3.396 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.821 -2.352 -4.093 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.217 -0.178 -3.006 1.00 0.00 C ATOM 0 H VAL A 60 -4.160 -2.080 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.982 -3.350 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.894 -1.445 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.168 -1.799 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.430 -3.319 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.653 -2.503 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.573 0.345 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.032 -0.271 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.400 0.386 -2.556 1.00 0.00 H new ATOM 916 N ILE A 61 -1.128 -0.554 -0.904 1.00 0.00 N ATOM 917 CA ILE A 61 -0.001 0.186 -0.351 1.00 0.00 C ATOM 918 C ILE A 61 1.018 -0.756 0.281 1.00 0.00 C ATOM 919 O ILE A 61 2.208 -0.446 0.348 1.00 0.00 O ATOM 920 CB ILE A 61 -0.463 1.208 0.705 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.483 2.174 0.100 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.731 1.970 1.262 1.00 0.00 C ATOM 923 CD1 ILE A 61 -0.896 3.096 -0.945 1.00 0.00 C ATOM 0 H ILE A 61 -2.042 -0.164 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 61 0.465 0.718 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.941 0.671 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.294 1.600 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.921 2.774 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.389 2.688 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.426 1.269 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.235 2.499 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.676 3.753 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.105 3.697 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.484 2.504 -1.762 1.00 0.00 H new ATOM 935 N LYS A 62 0.544 -1.908 0.743 1.00 0.00 N ATOM 936 CA LYS A 62 1.413 -2.898 1.367 1.00 0.00 C ATOM 937 C LYS A 62 2.307 -3.569 0.329 1.00 0.00 C ATOM 938 O LYS A 62 3.531 -3.587 0.467 1.00 0.00 O ATOM 939 CB LYS A 62 0.578 -3.954 2.094 1.00 0.00 C ATOM 940 CG LYS A 62 -0.409 -3.369 3.090 1.00 0.00 C ATOM 941 CD LYS A 62 0.240 -3.130 4.443 1.00 0.00 C ATOM 942 CE LYS A 62 -0.718 -2.448 5.408 1.00 0.00 C ATOM 943 NZ LYS A 62 -1.776 -3.379 5.889 1.00 0.00 N ATOM 0 H LYS A 62 -0.438 -2.179 0.697 1.00 0.00 H new ATOM 0 HA LYS A 62 2.047 -2.384 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.032 -4.544 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.247 -4.637 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.803 -2.429 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.255 -4.046 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.567 -4.081 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.131 -2.514 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.160 -2.060 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.182 -1.593 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.428 -2.868 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.303 -3.756 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.337 -4.164 6.410 1.00 0.00 H new ATOM 957 N VAL A 63 1.689 -4.118 -0.712 1.00 0.00 N ATOM 958 CA VAL A 63 2.429 -4.787 -1.775 1.00 0.00 C ATOM 959 C VAL A 63 3.664 -3.987 -2.173 1.00 0.00 C ATOM 960 O VAL A 63 4.652 -4.545 -2.652 1.00 0.00 O ATOM 961 CB VAL A 63 1.549 -5.006 -3.020 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.335 -3.694 -3.759 1.00 0.00 C ATOM 963 CG2 VAL A 63 2.173 -6.048 -3.937 1.00 0.00 C ATOM 0 H VAL A 63 0.677 -4.112 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 63 2.738 -5.756 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 63 0.576 -5.376 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.711 -3.868 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.842 -2.981 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.298 -3.292 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.538 -6.190 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.159 -5.709 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.270 -6.993 -3.402 1.00 0.00 H new ATOM 973 N LYS A 64 3.603 -2.675 -1.970 1.00 0.00 N ATOM 974 CA LYS A 64 4.716 -1.796 -2.305 1.00 0.00 C ATOM 975 C LYS A 64 5.893 -2.024 -1.362 1.00 0.00 C ATOM 976 O LYS A 64 7.008 -2.308 -1.803 1.00 0.00 O ATOM 977 CB LYS A 64 4.274 -0.332 -2.241 1.00 0.00 C ATOM 978 CG LYS A 64 3.082 -0.017 -3.127 1.00 0.00 C ATOM 979 CD LYS A 64 3.459 -0.046 -4.599 1.00 0.00 C ATOM 980 CE LYS A 64 2.282 -0.463 -5.467 1.00 0.00 C ATOM 981 NZ LYS A 64 2.701 -0.762 -6.865 1.00 0.00 N ATOM 0 H LYS A 64 2.793 -2.197 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 64 5.037 -2.029 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.026 -0.081 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.110 0.304 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.287 -0.739 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.687 0.966 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.808 0.940 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.287 -0.738 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.806 -1.343 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.536 0.332 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.870 -1.042 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.132 0.085 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.394 -1.538 -6.861 1.00 0.00 H new ATOM 995 N ILE A 65 5.638 -1.900 -0.064 1.00 0.00 N ATOM 996 CA ILE A 65 6.677 -2.096 0.940 1.00 0.00 C ATOM 997 C ILE A 65 7.394 -3.427 0.736 1.00 0.00 C ATOM 998 O ILE A 65 8.624 -3.488 0.739 1.00 0.00 O ATOM 999 CB ILE A 65 6.097 -2.052 2.366 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.425 -0.701 2.624 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.190 -2.310 3.391 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.353 -0.754 3.691 1.00 0.00 C ATOM 0 H ILE A 65 4.722 -1.665 0.317 1.00 0.00 H new ATOM 0 HA ILE A 65 7.389 -1.280 0.821 1.00 0.00 H new ATOM 0 HB ILE A 65 5.345 -2.836 2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.184 0.023 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.984 -0.340 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.764 -2.276 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.628 -3.293 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.963 -1.547 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.920 0.238 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.573 -1.454 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.792 -1.085 4.632 1.00 0.00 H new ATOM 1014 N HIS A 66 6.617 -4.491 0.559 1.00 0.00 N ATOM 1015 CA HIS A 66 7.178 -5.821 0.351 1.00 0.00 C ATOM 1016 C HIS A 66 7.985 -5.874 -0.943 1.00 0.00 C ATOM 1017 O HIS A 66 9.025 -6.529 -1.009 1.00 0.00 O ATOM 1018 CB HIS A 66 6.064 -6.867 0.315 1.00 0.00 C ATOM 1019 CG HIS A 66 6.550 -8.248 -0.002 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.656 -8.733 -1.289 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.962 -9.250 0.810 1.00 0.00 C ATOM 1022 CE1 HIS A 66 7.109 -9.973 -1.254 1.00 0.00 C ATOM 1023 NE2 HIS A 66 7.303 -10.311 0.008 1.00 0.00 N ATOM 0 H HIS A 66 5.598 -4.458 0.555 1.00 0.00 H new ATOM 0 HA HIS A 66 7.846 -6.041 1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.559 -6.881 1.281 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.323 -6.572 -0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.013 -9.220 1.888 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.290 -10.604 -2.112 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.650 -11.213 0.334 1.00 0.00 H new ATOM 1032 N GLU A 67 7.498 -5.182 -1.968 1.00 0.00 N ATOM 1033 CA GLU A 67 8.173 -5.153 -3.259 1.00 0.00 C ATOM 1034 C GLU A 67 9.614 -4.674 -3.109 1.00 0.00 C ATOM 1035 O GLU A 67 10.540 -5.279 -3.648 1.00 0.00 O ATOM 1036 CB GLU A 67 7.421 -4.244 -4.233 1.00 0.00 C ATOM 1037 CG GLU A 67 6.372 -4.971 -5.058 1.00 0.00 C ATOM 1038 CD GLU A 67 6.971 -6.042 -5.949 1.00 0.00 C ATOM 1039 OE1 GLU A 67 7.376 -5.712 -7.083 1.00 0.00 O ATOM 1040 OE2 GLU A 67 7.034 -7.210 -5.512 1.00 0.00 O ATOM 0 H GLU A 67 6.639 -4.634 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 67 8.185 -6.168 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.939 -3.444 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.138 -3.774 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.641 -5.426 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.835 -4.250 -5.674 1.00 0.00 H new ATOM 1047 N ALA A 68 9.795 -3.582 -2.373 1.00 0.00 N ATOM 1048 CA ALA A 68 11.122 -3.022 -2.149 1.00 0.00 C ATOM 1049 C ALA A 68 11.814 -3.702 -0.973 1.00 0.00 C ATOM 1050 O ALA A 68 12.894 -4.275 -1.122 1.00 0.00 O ATOM 1051 CB ALA A 68 11.028 -1.522 -1.914 1.00 0.00 C ATOM 0 H ALA A 68 9.039 -3.068 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 68 11.721 -3.202 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.026 -1.116 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.583 -1.044 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.408 -1.329 -1.039 1.00 0.00 H new ATOM 1057 N THR A 69 11.187 -3.635 0.197 1.00 0.00 N ATOM 1058 CA THR A 69 11.743 -4.243 1.398 1.00 0.00 C ATOM 1059 C THR A 69 11.268 -5.683 1.558 1.00 0.00 C ATOM 1060 O THR A 69 10.239 -6.071 1.007 1.00 0.00 O ATOM 1061 CB THR A 69 11.361 -3.446 2.660 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.939 -3.447 2.828 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.865 -2.013 2.568 1.00 0.00 C ATOM 0 H THR A 69 10.293 -3.165 0.338 1.00 0.00 H new ATOM 0 HA THR A 69 12.827 -4.232 1.284 1.00 0.00 H new ATOM 0 HB THR A 69 11.828 -3.924 3.521 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.519 -3.881 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.584 -1.470 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.951 -2.015 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.422 -1.527 1.699 1.00 0.00 H new ATOM 1071 N GLY A 70 12.024 -6.471 2.315 1.00 0.00 N ATOM 1072 CA GLY A 70 11.663 -7.859 2.534 1.00 0.00 C ATOM 1073 C GLY A 70 10.637 -8.025 3.637 1.00 0.00 C ATOM 1074 O GLY A 70 10.585 -9.064 4.294 1.00 0.00 O ATOM 0 H GLY A 70 12.881 -6.173 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.268 -8.279 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.558 -8.428 2.786 1.00 0.00 H new ATOM 1078 N MET A 71 9.821 -6.997 3.843 1.00 0.00 N ATOM 1079 CA MET A 71 8.792 -7.033 4.876 1.00 0.00 C ATOM 1080 C MET A 71 7.467 -7.531 4.306 1.00 0.00 C ATOM 1081 O MET A 71 7.052 -7.150 3.212 1.00 0.00 O ATOM 1082 CB MET A 71 8.606 -5.645 5.490 1.00 0.00 C ATOM 1083 CG MET A 71 7.993 -5.672 6.881 1.00 0.00 C ATOM 1084 SD MET A 71 8.129 -4.088 7.732 1.00 0.00 S ATOM 1085 CE MET A 71 7.536 -4.529 9.364 1.00 0.00 C ATOM 0 H MET A 71 9.852 -6.129 3.309 1.00 0.00 H new ATOM 0 HA MET A 71 9.117 -7.725 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.574 -5.146 5.538 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.972 -5.049 4.834 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.942 -5.950 6.805 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.484 -6.442 7.475 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.800 -3.796 9.694 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.075 -5.516 9.329 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.372 -4.543 10.063 1.00 0.00 H new ATOM 1095 N PRO A 72 6.787 -8.404 5.064 1.00 0.00 N ATOM 1096 CA PRO A 72 5.499 -8.973 4.655 1.00 0.00 C ATOM 1097 C PRO A 72 4.379 -7.939 4.667 1.00 0.00 C ATOM 1098 O PRO A 72 4.487 -6.901 5.319 1.00 0.00 O ATOM 1099 CB PRO A 72 5.240 -10.056 5.705 1.00 0.00 C ATOM 1100 CG PRO A 72 6.004 -9.612 6.904 1.00 0.00 C ATOM 1101 CD PRO A 72 7.222 -8.903 6.379 1.00 0.00 C ATOM 0 HA PRO A 72 5.526 -9.350 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.176 -10.148 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.579 -11.032 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.403 -8.948 7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.285 -10.463 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.528 -8.089 7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.073 -9.578 6.291 1.00 0.00 H new ATOM 1109 N ALA A 73 3.303 -8.230 3.943 1.00 0.00 N ATOM 1110 CA ALA A 73 2.162 -7.326 3.874 1.00 0.00 C ATOM 1111 C ALA A 73 1.105 -7.696 4.909 1.00 0.00 C ATOM 1112 O ALA A 73 -0.083 -7.774 4.598 1.00 0.00 O ATOM 1113 CB ALA A 73 1.561 -7.341 2.476 1.00 0.00 C ATOM 0 H ALA A 73 3.198 -9.085 3.396 1.00 0.00 H new ATOM 0 HA ALA A 73 2.514 -6.319 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.710 -6.661 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.312 -7.022 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.230 -8.351 2.233 1.00 0.00 H new ATOM 1119 N GLY A 74 1.546 -7.923 6.143 1.00 0.00 N ATOM 1120 CA GLY A 74 0.625 -8.283 7.205 1.00 0.00 C ATOM 1121 C GLY A 74 1.085 -7.790 8.563 1.00 0.00 C ATOM 1122 O GLY A 74 0.320 -7.164 9.297 1.00 0.00 O ATOM 0 H GLY A 74 2.524 -7.864 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.359 -7.868 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.514 -9.367 7.234 1.00 0.00 H new ATOM 1126 N LYS A 75 2.338 -8.075 8.900 1.00 0.00 N ATOM 1127 CA LYS A 75 2.900 -7.657 10.179 1.00 0.00 C ATOM 1128 C LYS A 75 3.135 -6.150 10.204 1.00 0.00 C ATOM 1129 O LYS A 75 2.822 -5.482 11.189 1.00 0.00 O ATOM 1130 CB LYS A 75 4.215 -8.393 10.446 1.00 0.00 C ATOM 1131 CG LYS A 75 4.026 -9.812 10.953 1.00 0.00 C ATOM 1132 CD LYS A 75 5.219 -10.276 11.772 1.00 0.00 C ATOM 1133 CE LYS A 75 5.272 -11.793 11.872 1.00 0.00 C ATOM 1134 NZ LYS A 75 5.449 -12.430 10.538 1.00 0.00 N ATOM 0 H LYS A 75 2.984 -8.594 8.305 1.00 0.00 H new ATOM 0 HA LYS A 75 2.184 -7.908 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.800 -8.420 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.795 -7.829 11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.123 -9.864 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.880 -10.485 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.139 -9.908 11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.164 -9.846 12.772 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.093 -12.086 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.353 -12.159 12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.262 -13.078 10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.590 -12.962 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.619 -11.695 9.822 1.00 0.00 H new ATOM 1148 N GLN A 76 3.686 -5.623 9.116 1.00 0.00 N ATOM 1149 CA GLN A 76 3.961 -4.195 9.015 1.00 0.00 C ATOM 1150 C GLN A 76 2.668 -3.388 9.049 1.00 0.00 C ATOM 1151 O GLN A 76 1.718 -3.685 8.325 1.00 0.00 O ATOM 1152 CB GLN A 76 4.731 -3.892 7.728 1.00 0.00 C ATOM 1153 CG GLN A 76 3.896 -4.053 6.468 1.00 0.00 C ATOM 1154 CD GLN A 76 4.744 -4.207 5.221 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.973 -4.252 5.294 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.092 -4.289 4.067 1.00 0.00 N ATOM 0 H GLN A 76 3.951 -6.163 8.292 1.00 0.00 H new ATOM 0 HA GLN A 76 4.571 -3.907 9.871 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.112 -2.872 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.596 -4.553 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.250 -4.925 6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.245 -3.186 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.073 -4.247 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.610 -4.394 3.195 1.00 0.00 H new ATOM 1165 N LYS A 77 2.637 -2.365 9.897 1.00 0.00 N ATOM 1166 CA LYS A 77 1.461 -1.513 10.026 1.00 0.00 C ATOM 1167 C LYS A 77 1.707 -0.146 9.396 1.00 0.00 C ATOM 1168 O LYS A 77 2.846 0.317 9.317 1.00 0.00 O ATOM 1169 CB LYS A 77 1.086 -1.347 11.501 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.399 -1.129 11.730 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.764 -1.269 13.199 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.762 -2.726 13.637 1.00 0.00 C ATOM 1173 NZ LYS A 77 -1.964 -3.454 13.145 1.00 0.00 N ATOM 0 H LYS A 77 3.414 -2.106 10.505 1.00 0.00 H new ATOM 0 HA LYS A 77 0.636 -1.993 9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.403 -2.234 12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.637 -0.502 11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.681 -0.137 11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.968 -1.849 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.057 -0.704 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.749 -0.837 13.373 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.137 -3.216 13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.726 -2.778 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.987 -4.407 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.822 -2.935 13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.924 -3.529 12.108 1.00 0.00 H new ATOM 1187 N LEU A 78 0.633 0.497 8.951 1.00 0.00 N ATOM 1188 CA LEU A 78 0.733 1.813 8.330 1.00 0.00 C ATOM 1189 C LEU A 78 -0.096 2.841 9.094 1.00 0.00 C ATOM 1190 O LEU A 78 -1.167 2.526 9.611 1.00 0.00 O ATOM 1191 CB LEU A 78 0.268 1.748 6.874 1.00 0.00 C ATOM 1192 CG LEU A 78 0.884 0.637 6.022 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.210 0.573 4.660 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.382 0.851 5.868 1.00 0.00 C ATOM 0 H LEU A 78 -0.316 0.129 9.009 1.00 0.00 H new ATOM 0 HA LEU A 78 1.778 2.122 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.815 1.628 6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.487 2.705 6.401 1.00 0.00 H new ATOM 0 HG LEU A 78 0.724 -0.314 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.661 -0.223 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.853 0.371 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.338 1.525 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.803 0.051 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.565 1.810 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.853 0.845 6.851 1.00 0.00 H new ATOM 1206 N GLN A 79 0.407 4.069 9.159 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.288 5.143 9.859 1.00 0.00 C ATOM 1208 C GLN A 79 -0.156 6.461 9.103 1.00 0.00 C ATOM 1209 O GLN A 79 0.941 6.851 8.703 1.00 0.00 O ATOM 1210 CB GLN A 79 0.264 5.297 11.277 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.620 6.134 12.187 1.00 0.00 C ATOM 1212 CD GLN A 79 0.106 6.613 13.428 1.00 0.00 C ATOM 1213 OE1 GLN A 79 0.997 7.460 13.353 1.00 0.00 O ATOM 1214 NE2 GLN A 79 -0.271 6.072 14.581 1.00 0.00 N ATOM 0 H GLN A 79 1.293 4.345 8.736 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.345 4.882 9.915 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.391 4.308 11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.253 5.753 11.225 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.992 6.996 11.633 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.489 5.547 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.014 5.373 14.598 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.182 6.355 15.450 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.280 7.142 8.911 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.290 8.415 8.200 1.00 0.00 C ATOM 1225 C TYR A 80 -1.672 9.558 9.135 1.00 0.00 C ATOM 1226 O TYR A 80 -2.844 9.739 9.465 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.264 8.358 7.022 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.644 9.719 6.484 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.681 10.696 6.267 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.968 10.028 6.194 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.024 11.941 5.777 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.320 11.269 5.702 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.345 12.223 5.495 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.692 13.462 5.007 1.00 0.00 O ATOM 0 H TYR A 80 -2.196 6.834 9.238 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.284 8.599 7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.817 7.771 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.168 7.835 7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.646 10.478 6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.734 9.285 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.263 12.690 5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.353 11.492 5.480 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.660 13.496 4.860 1.00 0.00 H new ATOM 1244 N GLU A 81 -0.674 10.327 9.558 1.00 0.00 N ATOM 1245 CA GLU A 81 -0.905 11.453 10.456 1.00 0.00 C ATOM 1246 C GLU A 81 -1.443 10.975 11.801 1.00 0.00 C ATOM 1247 O GLU A 81 -2.197 11.683 12.468 1.00 0.00 O ATOM 1248 CB GLU A 81 -1.886 12.444 9.825 1.00 0.00 C ATOM 1249 CG GLU A 81 -1.361 13.096 8.556 1.00 0.00 C ATOM 1250 CD GLU A 81 -0.527 14.331 8.837 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -0.832 15.043 9.816 1.00 0.00 O ATOM 1252 OE2 GLU A 81 0.430 14.584 8.076 1.00 0.00 O ATOM 0 H GLU A 81 0.302 10.191 9.294 1.00 0.00 H new ATOM 0 HA GLU A 81 0.049 11.953 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.818 11.926 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.122 13.221 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.760 12.374 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.201 13.367 7.917 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.050 9.767 12.193 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.503 9.213 13.456 1.00 0.00 C ATOM 1261 C GLY A 82 -2.584 8.167 13.276 1.00 0.00 C ATOM 1262 O GLY A 82 -2.690 7.231 14.070 1.00 0.00 O ATOM 0 H GLY A 82 -0.426 9.162 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.656 8.769 13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.881 10.017 14.087 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.391 8.325 12.232 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.470 7.386 11.951 1.00 0.00 C ATOM 1268 C ILE A 83 -3.923 6.056 11.442 1.00 0.00 C ATOM 1269 O ILE A 83 -3.230 6.006 10.426 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.455 7.954 10.913 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.060 9.266 11.417 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.549 6.942 10.612 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.845 10.014 10.362 1.00 0.00 C ATOM 0 H ILE A 83 -3.318 9.095 11.567 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.999 7.223 12.890 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.911 8.157 9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.714 9.054 12.263 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.260 9.908 11.786 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.237 7.358 9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.102 6.030 10.215 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.093 6.711 11.528 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.245 10.934 10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.190 10.258 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.667 9.391 10.010 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.242 4.980 12.154 1.00 0.00 N ATOM 1286 CA PHE A 84 -3.783 3.649 11.774 1.00 0.00 C ATOM 1287 C PHE A 84 -4.549 3.137 10.558 1.00 0.00 C ATOM 1288 O PHE A 84 -5.254 2.131 10.633 1.00 0.00 O ATOM 1289 CB PHE A 84 -3.951 2.676 12.943 1.00 0.00 C ATOM 1290 CG PHE A 84 -2.805 2.700 13.913 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.783 3.609 14.958 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -1.748 1.814 13.778 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.729 3.633 15.852 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -0.692 1.833 14.670 1.00 0.00 C ATOM 1295 CZ PHE A 84 -0.682 2.745 15.707 1.00 0.00 C ATOM 0 H PHE A 84 -4.816 5.004 12.997 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.726 3.716 11.515 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.872 2.915 13.475 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.063 1.665 12.551 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.599 4.307 15.076 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.749 1.101 12.967 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.725 4.346 16.663 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.124 1.135 14.556 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.143 2.763 16.403 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.404 3.838 9.438 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.081 3.455 8.205 1.00 0.00 C ATOM 1307 C ILE A 85 -5.020 1.946 7.990 1.00 0.00 C ATOM 1308 O ILE A 85 -3.939 1.360 7.929 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.467 4.161 6.982 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.942 4.041 7.010 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.888 5.623 6.948 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.303 4.138 5.642 1.00 0.00 C ATOM 0 H ILE A 85 -3.824 4.673 9.359 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.121 3.764 8.308 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.835 3.676 6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.536 4.825 7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.669 3.088 7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.446 6.109 6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.974 5.687 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.545 6.121 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.221 4.045 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.681 3.337 5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.546 5.102 5.195 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.187 1.322 7.875 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.268 -0.118 7.664 1.00 0.00 C ATOM 1326 C LYS A 86 -6.196 -0.455 6.178 1.00 0.00 C ATOM 1327 O LYS A 86 -6.225 0.435 5.328 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.565 -0.670 8.261 1.00 0.00 C ATOM 1329 CG LYS A 86 -7.430 -1.107 9.709 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.759 0.026 10.667 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.840 -0.465 12.104 1.00 0.00 C ATOM 1332 NZ LYS A 86 -9.121 -1.175 12.376 1.00 0.00 N ATOM 0 H LYS A 86 -7.091 1.792 7.924 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.418 -0.582 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.341 0.093 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.898 -1.519 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.095 -1.950 9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.413 -1.455 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.998 0.802 10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.708 0.480 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.004 -1.134 12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.743 0.382 12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.160 -1.449 13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.920 -0.546 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.179 -2.026 11.782 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.104 -1.744 5.872 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.031 -2.198 4.488 1.00 0.00 C ATOM 1348 C ASP A 87 -7.424 -2.302 3.876 1.00 0.00 C ATOM 1349 O ASP A 87 -7.619 -2.004 2.698 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.324 -3.553 4.410 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.526 -4.384 5.662 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.640 -4.349 6.225 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.570 -5.071 6.078 1.00 0.00 O ATOM 0 H ASP A 87 -6.078 -2.493 6.564 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.458 -1.464 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.697 -4.105 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.257 -3.394 4.251 1.00 0.00 H new ATOM 1358 N SER A 88 -8.390 -2.727 4.684 1.00 0.00 N ATOM 1359 CA SER A 88 -9.765 -2.875 4.220 1.00 0.00 C ATOM 1360 C SER A 88 -10.360 -1.521 3.846 1.00 0.00 C ATOM 1361 O SER A 88 -11.187 -1.423 2.940 1.00 0.00 O ATOM 1362 CB SER A 88 -10.621 -3.540 5.300 1.00 0.00 C ATOM 1363 OG SER A 88 -11.991 -3.539 4.937 1.00 0.00 O ATOM 0 H SER A 88 -8.246 -2.975 5.663 1.00 0.00 H new ATOM 0 HA SER A 88 -9.757 -3.507 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.284 -4.565 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.492 -3.014 6.246 1.00 0.00 H new ATOM 0 HG SER A 88 -12.517 -3.971 5.643 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.933 -0.478 4.552 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.424 0.871 4.295 1.00 0.00 C ATOM 1371 C ASN A 89 -9.889 1.401 2.968 1.00 0.00 C ATOM 1372 O ASN A 89 -8.840 0.968 2.492 1.00 0.00 O ATOM 1373 CB ASN A 89 -10.017 1.809 5.433 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.884 1.634 6.665 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.608 2.546 7.062 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.813 0.457 7.275 1.00 0.00 N ATOM 0 H ASN A 89 -9.249 -0.542 5.306 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.512 0.831 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.975 1.626 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.082 2.842 5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.373 0.280 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.198 -0.270 6.910 1.00 0.00 H new ATOM 1383 N SER A 90 -10.619 2.341 2.376 1.00 0.00 N ATOM 1384 CA SER A 90 -10.220 2.928 1.102 1.00 0.00 C ATOM 1385 C SER A 90 -9.311 4.134 1.320 1.00 0.00 C ATOM 1386 O SER A 90 -9.375 4.795 2.358 1.00 0.00 O ATOM 1387 CB SER A 90 -11.454 3.345 0.300 1.00 0.00 C ATOM 1388 OG SER A 90 -12.330 2.248 0.104 1.00 0.00 O ATOM 0 H SER A 90 -11.489 2.712 2.758 1.00 0.00 H new ATOM 0 HA SER A 90 -9.667 2.175 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.979 4.144 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.146 3.745 -0.666 1.00 0.00 H new ATOM 0 HG SER A 90 -13.149 2.558 -0.335 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.464 4.414 0.336 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.541 5.540 0.418 1.00 0.00 C ATOM 1396 C LEU A 91 -8.292 6.867 0.360 1.00 0.00 C ATOM 1397 O LEU A 91 -8.264 7.649 1.309 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.518 5.471 -0.717 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.356 4.497 -0.515 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.820 4.020 -1.855 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.250 5.149 0.303 1.00 0.00 C ATOM 0 H LEU A 91 -8.397 3.876 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.020 5.480 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.040 5.197 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.107 6.469 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.724 3.631 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.994 3.328 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.613 3.514 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.468 4.875 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.431 4.442 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.884 6.033 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.642 5.440 1.278 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.965 7.111 -0.760 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.728 8.340 -0.940 1.00 0.00 C ATOM 1415 C ALA A 92 -10.433 8.743 0.351 1.00 0.00 C ATOM 1416 O ALA A 92 -10.325 9.884 0.798 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.737 8.174 -2.066 1.00 0.00 C ATOM 0 H ALA A 92 -8.997 6.474 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.032 9.135 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.300 9.099 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.213 7.942 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.422 7.362 -1.824 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.155 7.799 0.944 1.00 0.00 N ATOM 1424 CA TYR A 93 -11.881 8.057 2.182 1.00 0.00 C ATOM 1425 C TYR A 93 -11.051 8.915 3.131 1.00 0.00 C ATOM 1426 O TYR A 93 -11.523 9.931 3.642 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.255 6.739 2.862 1.00 0.00 C ATOM 1428 CG TYR A 93 -12.984 6.920 4.174 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.286 7.031 5.370 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.372 6.981 4.218 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -12.948 7.196 6.572 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.042 7.147 5.414 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.326 7.254 6.588 1.00 0.00 C ATOM 1434 OH TYR A 93 -14.990 7.419 7.782 1.00 0.00 O ATOM 0 H TYR A 93 -11.253 6.848 0.588 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.792 8.601 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.880 6.156 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.348 6.160 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.207 6.988 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.936 6.897 3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.390 7.279 7.493 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.121 7.193 5.430 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.956 7.441 7.619 1.00 0.00 H new ATOM 1444 N TYR A 94 -9.811 8.499 3.363 1.00 0.00 N ATOM 1445 CA TYR A 94 -8.914 9.227 4.252 1.00 0.00 C ATOM 1446 C TYR A 94 -8.675 10.645 3.743 1.00 0.00 C ATOM 1447 O TYR A 94 -8.524 11.581 4.528 1.00 0.00 O ATOM 1448 CB TYR A 94 -7.581 8.489 4.382 1.00 0.00 C ATOM 1449 CG TYR A 94 -7.704 7.123 5.019 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.195 6.979 6.311 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.332 5.977 4.329 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.308 5.733 6.897 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.443 4.727 4.906 1.00 0.00 C ATOM 1454 CZ TYR A 94 -7.932 4.610 6.191 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.045 3.367 6.771 1.00 0.00 O ATOM 0 H TYR A 94 -9.404 7.661 2.947 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.386 9.287 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.138 8.380 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.896 9.096 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.493 7.856 6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.949 6.065 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.689 5.639 7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.149 3.846 4.355 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.789 3.370 7.408 1.00 0.00 H new ATOM 1465 N ASN A 95 -8.643 10.796 2.423 1.00 0.00 N ATOM 1466 CA ASN A 95 -8.423 12.099 1.807 1.00 0.00 C ATOM 1467 C ASN A 95 -6.967 12.530 1.951 1.00 0.00 C ATOM 1468 O ASN A 95 -6.679 13.638 2.403 1.00 0.00 O ATOM 1469 CB ASN A 95 -9.342 13.147 2.440 1.00 0.00 C ATOM 1470 CG ASN A 95 -10.642 12.548 2.942 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.029 12.754 4.093 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -11.322 11.804 2.079 1.00 0.00 N ATOM 0 H ASN A 95 -8.767 10.032 1.759 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.655 12.015 0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.823 13.628 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.562 13.924 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.204 11.375 2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.963 11.661 1.135 1.00 0.00 H new ATOM 1479 N MET A 96 -6.053 11.646 1.563 1.00 0.00 N ATOM 1480 CA MET A 96 -4.626 11.936 1.648 1.00 0.00 C ATOM 1481 C MET A 96 -4.189 12.851 0.508 1.00 0.00 C ATOM 1482 O MET A 96 -4.560 12.640 -0.646 1.00 0.00 O ATOM 1483 CB MET A 96 -3.818 10.638 1.614 1.00 0.00 C ATOM 1484 CG MET A 96 -4.205 9.652 2.704 1.00 0.00 C ATOM 1485 SD MET A 96 -3.218 8.144 2.659 1.00 0.00 S ATOM 1486 CE MET A 96 -4.003 7.187 3.955 1.00 0.00 C ATOM 0 H MET A 96 -6.275 10.724 1.187 1.00 0.00 H new ATOM 0 HA MET A 96 -4.439 12.447 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 96 -3.950 10.163 0.642 1.00 0.00 H new ATOM 0 HB3 MET A 96 -2.759 10.876 1.711 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.089 10.129 3.677 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.259 9.395 2.598 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.329 7.108 4.808 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.924 7.681 4.265 1.00 0.00 H new ATOM 0 HE3 MET A 96 -4.234 6.189 3.582 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.400 13.867 0.840 1.00 0.00 N ATOM 1497 CA ALA A 97 -2.911 14.812 -0.156 1.00 0.00 C ATOM 1498 C ALA A 97 -1.571 14.364 -0.728 1.00 0.00 C ATOM 1499 O ALA A 97 -0.844 13.595 -0.100 1.00 0.00 O ATOM 1500 CB ALA A 97 -2.789 16.202 0.451 1.00 0.00 C ATOM 0 H ALA A 97 -3.086 14.057 1.792 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.632 14.845 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.423 16.898 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.766 16.532 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.091 16.174 1.288 1.00 0.00 H new ATOM 1506 N SER A 98 -1.251 14.848 -1.923 1.00 0.00 N ATOM 1507 CA SER A 98 0.000 14.493 -2.582 1.00 0.00 C ATOM 1508 C SER A 98 1.168 14.556 -1.602 1.00 0.00 C ATOM 1509 O SER A 98 1.043 15.098 -0.504 1.00 0.00 O ATOM 1510 CB SER A 98 0.262 15.428 -3.765 1.00 0.00 C ATOM 1511 OG SER A 98 -0.824 15.416 -4.675 1.00 0.00 O ATOM 0 H SER A 98 -1.841 15.488 -2.455 1.00 0.00 H new ATOM 0 HA SER A 98 -0.090 13.470 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.425 16.443 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.174 15.123 -4.278 1.00 0.00 H new ATOM 0 HG SER A 98 -0.633 16.022 -5.421 1.00 0.00 H new ATOM 1517 N GLY A 99 2.304 13.997 -2.007 1.00 0.00 N ATOM 1518 CA GLY A 99 3.478 13.999 -1.154 1.00 0.00 C ATOM 1519 C GLY A 99 3.139 13.729 0.299 1.00 0.00 C ATOM 1520 O GLY A 99 3.706 14.345 1.200 1.00 0.00 O ATOM 0 H GLY A 99 2.432 13.543 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.181 13.244 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.980 14.963 -1.234 1.00 0.00 H new ATOM 1524 N ALA A 100 2.210 12.806 0.527 1.00 0.00 N ATOM 1525 CA ALA A 100 1.797 12.456 1.880 1.00 0.00 C ATOM 1526 C ALA A 100 2.927 11.769 2.639 1.00 0.00 C ATOM 1527 O ALA A 100 4.041 11.642 2.131 1.00 0.00 O ATOM 1528 CB ALA A 100 0.566 11.562 1.841 1.00 0.00 C ATOM 0 H ALA A 100 1.729 12.287 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 100 1.548 13.377 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.268 11.308 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.250 12.088 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.797 10.649 1.292 1.00 0.00 H new ATOM 1534 N VAL A 101 2.634 11.329 3.858 1.00 0.00 N ATOM 1535 CA VAL A 101 3.626 10.655 4.687 1.00 0.00 C ATOM 1536 C VAL A 101 2.985 9.555 5.526 1.00 0.00 C ATOM 1537 O VAL A 101 2.236 9.832 6.463 1.00 0.00 O ATOM 1538 CB VAL A 101 4.342 11.647 5.623 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.339 12.359 6.517 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.394 10.929 6.454 1.00 0.00 C ATOM 0 H VAL A 101 1.717 11.427 4.294 1.00 0.00 H new ATOM 0 HA VAL A 101 4.357 10.213 4.010 1.00 0.00 H new ATOM 0 HB VAL A 101 4.844 12.398 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.864 13.055 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.627 12.907 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.806 11.626 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.890 11.644 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.917 10.156 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.130 10.472 5.793 1.00 0.00 H new ATOM 1550 N ILE A 102 3.284 8.307 5.183 1.00 0.00 N ATOM 1551 CA ILE A 102 2.739 7.165 5.905 1.00 0.00 C ATOM 1552 C ILE A 102 3.786 6.543 6.823 1.00 0.00 C ATOM 1553 O ILE A 102 4.752 5.936 6.359 1.00 0.00 O ATOM 1554 CB ILE A 102 2.214 6.086 4.939 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.208 6.693 3.959 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.580 4.942 5.716 1.00 0.00 C ATOM 1557 CD1 ILE A 102 -0.116 7.050 4.597 1.00 0.00 C ATOM 0 H ILE A 102 3.901 8.061 4.409 1.00 0.00 H new ATOM 0 HA ILE A 102 1.909 7.539 6.505 1.00 0.00 H new ATOM 0 HB ILE A 102 3.055 5.690 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.641 7.589 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.032 5.987 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.214 4.188 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.323 4.495 6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.748 5.322 6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.780 7.475 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.571 6.153 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.047 7.780 5.390 1.00 0.00 H new ATOM 1569 N HIS A 103 3.588 6.697 8.128 1.00 0.00 N ATOM 1570 CA HIS A 103 4.514 6.149 9.112 1.00 0.00 C ATOM 1571 C HIS A 103 4.316 4.644 9.265 1.00 0.00 C ATOM 1572 O HIS A 103 3.186 4.157 9.305 1.00 0.00 O ATOM 1573 CB HIS A 103 4.324 6.840 10.463 1.00 0.00 C ATOM 1574 CG HIS A 103 4.344 8.335 10.379 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.508 9.069 10.298 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.332 9.234 10.362 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.212 10.355 10.236 1.00 0.00 C ATOM 1578 NE2 HIS A 103 3.898 10.482 10.273 1.00 0.00 N ATOM 0 H HIS A 103 2.794 7.197 8.529 1.00 0.00 H new ATOM 0 HA HIS A 103 5.529 6.330 8.759 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.375 6.521 10.895 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.110 6.512 11.143 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.276 9.011 10.410 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.923 11.165 10.167 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.387 11.364 10.241 1.00 0.00 H new ATOM 1587 N LEU A 104 5.422 3.913 9.350 1.00 0.00 N ATOM 1588 CA LEU A 104 5.371 2.462 9.498 1.00 0.00 C ATOM 1589 C LEU A 104 5.394 2.064 10.970 1.00 0.00 C ATOM 1590 O LEU A 104 6.274 2.481 11.722 1.00 0.00 O ATOM 1591 CB LEU A 104 6.545 1.813 8.763 1.00 0.00 C ATOM 1592 CG LEU A 104 6.238 0.507 8.029 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.468 0.010 7.287 1.00 0.00 C ATOM 1594 CD2 LEU A 104 5.738 -0.549 9.005 1.00 0.00 C ATOM 0 H LEU A 104 6.365 4.301 9.319 1.00 0.00 H new ATOM 0 HA LEU A 104 4.437 2.109 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.936 2.529 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.339 1.623 9.485 1.00 0.00 H new ATOM 0 HG LEU A 104 5.452 0.699 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.230 -0.920 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.781 0.759 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.275 -0.166 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.525 -1.472 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.502 -0.738 9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.829 -0.194 9.491 1.00 0.00 H new ATOM 1606 N ALA A 105 4.422 1.252 11.374 1.00 0.00 N ATOM 1607 CA ALA A 105 4.334 0.793 12.755 1.00 0.00 C ATOM 1608 C ALA A 105 4.369 -0.729 12.831 1.00 0.00 C ATOM 1609 O ALA A 105 3.705 -1.415 12.052 1.00 0.00 O ATOM 1610 CB ALA A 105 3.069 1.328 13.409 1.00 0.00 C ATOM 0 H ALA A 105 3.685 0.899 10.764 1.00 0.00 H new ATOM 0 HA ALA A 105 5.199 1.177 13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.016 0.978 14.440 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.086 2.418 13.397 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.197 0.973 12.860 1.00 0.00 H new ATOM 1616 N LEU A 106 5.146 -1.252 13.772 1.00 0.00 N ATOM 1617 CA LEU A 106 5.268 -2.695 13.950 1.00 0.00 C ATOM 1618 C LEU A 106 4.053 -3.258 14.680 1.00 0.00 C ATOM 1619 O LEU A 106 3.506 -2.621 15.580 1.00 0.00 O ATOM 1620 CB LEU A 106 6.543 -3.028 14.725 1.00 0.00 C ATOM 1621 CG LEU A 106 7.793 -3.285 13.883 1.00 0.00 C ATOM 1622 CD1 LEU A 106 7.649 -4.578 13.094 1.00 0.00 C ATOM 1623 CD2 LEU A 106 8.057 -2.114 12.948 1.00 0.00 C ATOM 0 H LEU A 106 5.702 -0.699 14.424 1.00 0.00 H new ATOM 0 HA LEU A 106 5.321 -3.154 12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.753 -2.206 15.409 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.353 -3.911 15.336 1.00 0.00 H new ATOM 0 HG LEU A 106 8.645 -3.386 14.555 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.548 -4.744 12.501 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.510 -5.411 13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.786 -4.506 12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.950 -2.315 12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.204 -1.980 12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.206 -1.207 13.534 1.00 0.00 H new ATOM 1635 N LYS A 107 3.637 -4.458 14.289 1.00 0.00 N ATOM 1636 CA LYS A 107 2.489 -5.110 14.909 1.00 0.00 C ATOM 1637 C LYS A 107 2.724 -5.322 16.401 1.00 0.00 C ATOM 1638 O LYS A 107 3.851 -5.559 16.833 1.00 0.00 O ATOM 1639 CB LYS A 107 2.212 -6.453 14.229 1.00 0.00 C ATOM 1640 CG LYS A 107 0.966 -7.151 14.747 1.00 0.00 C ATOM 1641 CD LYS A 107 0.705 -8.450 14.004 1.00 0.00 C ATOM 1642 CE LYS A 107 -0.596 -9.097 14.454 1.00 0.00 C ATOM 1643 NZ LYS A 107 -1.049 -10.151 13.504 1.00 0.00 N ATOM 0 H LYS A 107 4.078 -4.999 13.545 1.00 0.00 H new ATOM 0 HA LYS A 107 1.622 -4.461 14.785 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.109 -6.293 13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.071 -7.108 14.373 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.079 -7.356 15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.106 -6.490 14.639 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.664 -8.256 12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.533 -9.139 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.461 -9.534 15.444 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.369 -8.334 14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.938 -10.568 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.202 -9.730 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.323 -10.893 13.436 1.00 0.00 H new ATOM 1657 N GLU A 108 1.651 -5.236 17.182 1.00 0.00 N ATOM 1658 CA GLU A 108 1.742 -5.420 18.625 1.00 0.00 C ATOM 1659 C GLU A 108 2.751 -6.511 18.973 1.00 0.00 C ATOM 1660 O GLU A 108 2.572 -7.674 18.613 1.00 0.00 O ATOM 1661 CB GLU A 108 0.371 -5.775 19.204 1.00 0.00 C ATOM 1662 CG GLU A 108 0.390 -6.032 20.702 1.00 0.00 C ATOM 1663 CD GLU A 108 -0.952 -6.500 21.230 1.00 0.00 C ATOM 1664 OE1 GLU A 108 -1.861 -5.655 21.372 1.00 0.00 O ATOM 1665 OE2 GLU A 108 -1.093 -7.710 21.503 1.00 0.00 O ATOM 0 H GLU A 108 0.710 -5.040 16.840 1.00 0.00 H new ATOM 0 HA GLU A 108 2.082 -4.482 19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.325 -4.963 18.992 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.010 -6.661 18.697 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.147 -6.783 20.929 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.682 -5.118 21.220 1.00 0.00 H new ATOM 1672 N ARG A 109 3.812 -6.126 19.675 1.00 0.00 N ATOM 1673 CA ARG A 109 4.850 -7.070 20.069 1.00 0.00 C ATOM 1674 C ARG A 109 4.243 -8.295 20.746 1.00 0.00 C ATOM 1675 O ARG A 109 3.226 -8.197 21.433 1.00 0.00 O ATOM 1676 CB ARG A 109 5.850 -6.396 21.012 1.00 0.00 C ATOM 1677 CG ARG A 109 5.206 -5.775 22.240 1.00 0.00 C ATOM 1678 CD ARG A 109 6.250 -5.225 23.199 1.00 0.00 C ATOM 1679 NE ARG A 109 5.646 -4.455 24.283 1.00 0.00 N ATOM 1680 CZ ARG A 109 5.330 -3.168 24.183 1.00 0.00 C ATOM 1681 NH1 ARG A 109 5.559 -2.512 23.055 1.00 0.00 N ATOM 1682 NH2 ARG A 109 4.783 -2.537 25.214 1.00 0.00 N ATOM 0 H ARG A 109 3.975 -5.167 19.982 1.00 0.00 H new ATOM 0 HA ARG A 109 5.371 -7.395 19.169 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.587 -7.132 21.332 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.388 -5.623 20.464 1.00 0.00 H new ATOM 0 HG2 ARG A 109 4.534 -4.974 21.934 1.00 0.00 H new ATOM 0 HG3 ARG A 109 4.599 -6.522 22.751 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.827 -6.049 23.618 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.948 -4.593 22.651 1.00 0.00 H new ATOM 0 HE ARG A 109 5.456 -4.931 25.165 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.979 -2.995 22.261 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.315 -1.524 22.981 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.605 -3.040 26.084 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.541 -1.549 25.137 1.00 0.00 H new ATOM 1696 N SER A 110 4.873 -9.448 20.547 1.00 0.00 N ATOM 1697 CA SER A 110 4.392 -10.693 21.134 1.00 0.00 C ATOM 1698 C SER A 110 2.887 -10.842 20.936 1.00 0.00 C ATOM 1699 O SER A 110 2.153 -11.150 21.874 1.00 0.00 O ATOM 1700 CB SER A 110 4.728 -10.742 22.626 1.00 0.00 C ATOM 1701 OG SER A 110 6.130 -10.737 22.833 1.00 0.00 O ATOM 0 H SER A 110 5.718 -9.546 19.984 1.00 0.00 H new ATOM 0 HA SER A 110 4.891 -11.520 20.629 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.279 -9.887 23.131 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.295 -11.638 23.070 1.00 0.00 H new ATOM 0 HG SER A 110 6.319 -10.767 23.794 1.00 0.00 H new ATOM 1707 N GLY A 111 2.433 -10.620 19.706 1.00 0.00 N ATOM 1708 CA GLY A 111 1.018 -10.733 19.405 1.00 0.00 C ATOM 1709 C GLY A 111 0.611 -12.152 19.059 1.00 0.00 C ATOM 1710 O GLY A 111 1.278 -13.119 19.427 1.00 0.00 O ATOM 0 H GLY A 111 3.020 -10.364 18.912 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.439 -10.391 20.263 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.773 -10.074 18.572 1.00 0.00 H new ATOM 1714 N PRO A 112 -0.510 -12.290 18.336 1.00 0.00 N ATOM 1715 CA PRO A 112 -1.032 -13.598 17.926 1.00 0.00 C ATOM 1716 C PRO A 112 -0.154 -14.268 16.875 1.00 0.00 C ATOM 1717 O PRO A 112 -0.410 -15.402 16.470 1.00 0.00 O ATOM 1718 CB PRO A 112 -2.406 -13.264 17.342 1.00 0.00 C ATOM 1719 CG PRO A 112 -2.295 -11.847 16.895 1.00 0.00 C ATOM 1720 CD PRO A 112 -1.355 -11.181 17.863 1.00 0.00 C ATOM 0 HA PRO A 112 -1.067 -14.302 18.757 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.653 -13.923 16.510 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.192 -13.383 18.087 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.913 -11.788 15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.270 -11.359 16.899 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.764 -10.404 17.379 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -1.893 -10.707 18.684 1.00 0.00 H new ATOM 1728 N SER A 113 0.881 -13.559 16.435 1.00 0.00 N ATOM 1729 CA SER A 113 1.795 -14.085 15.428 1.00 0.00 C ATOM 1730 C SER A 113 2.009 -15.583 15.617 1.00 0.00 C ATOM 1731 O SER A 113 1.728 -16.380 14.722 1.00 0.00 O ATOM 1732 CB SER A 113 3.137 -13.353 15.495 1.00 0.00 C ATOM 1733 OG SER A 113 3.703 -13.445 16.790 1.00 0.00 O ATOM 0 H SER A 113 1.107 -12.619 16.760 1.00 0.00 H new ATOM 0 HA SER A 113 1.349 -13.921 14.447 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.824 -13.778 14.763 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.997 -12.305 15.229 1.00 0.00 H new ATOM 0 HG SER A 113 4.561 -12.971 16.807 1.00 0.00 H new ATOM 1739 N SER A 114 2.509 -15.959 16.790 1.00 0.00 N ATOM 1740 CA SER A 114 2.766 -17.361 17.098 1.00 0.00 C ATOM 1741 C SER A 114 1.583 -17.981 17.836 1.00 0.00 C ATOM 1742 O SER A 114 1.157 -17.483 18.877 1.00 0.00 O ATOM 1743 CB SER A 114 4.035 -17.496 17.941 1.00 0.00 C ATOM 1744 OG SER A 114 4.385 -18.857 18.123 1.00 0.00 O ATOM 0 H SER A 114 2.744 -15.312 17.543 1.00 0.00 H new ATOM 0 HA SER A 114 2.905 -17.894 16.157 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.856 -16.968 17.455 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.882 -17.024 18.911 1.00 0.00 H new ATOM 0 HG SER A 114 5.200 -18.916 18.664 1.00 0.00 H new ATOM 1750 N GLY A 115 1.057 -19.071 17.287 1.00 0.00 N ATOM 1751 CA GLY A 115 -0.072 -19.742 17.905 1.00 0.00 C ATOM 1752 C GLY A 115 -0.269 -21.150 17.380 1.00 0.00 C ATOM 1753 O GLY A 115 -1.235 -21.823 17.737 1.00 0.00 O ATOM 0 H GLY A 115 1.392 -19.502 16.425 1.00 0.00 H new ATOM 0 HA2 GLY A 115 0.077 -19.778 18.984 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -0.977 -19.161 17.727 1.00 0.00 H new TER 1757 GLY A 115