USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 THR OG1 : rot -123:sc= 1.02 USER MOD Set 2.2: A 38 ASN : amide:sc= -0.405 K(o=0.47,f=-2.2!) USER MOD Set 2.3: A 82 LYS NZ :NH3+ 139:sc= -0.144 (180deg=-1.28!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0448 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0813 K(o=-0.081,f=-1.4!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 13 ASN : amide:sc= -0.883 K(o=-0.88,f=-0.11) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -6.33! C(o=-6.3!,f=-11!) USER MOD Single : A 29 TYR OH : rot -81:sc= -1.94! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.917) USER MOD Single : A 33 SER OG : rot -60:sc= 1.31 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.74 (180deg=0.0226) USER MOD Single : A 46 THR OG1 : rot 58:sc= 1.16 USER MOD Single : A 48 MET CE :methyl -151:sc= -2.82 (180deg=-5.09!) USER MOD Single : A 55 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.36) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0893 USER MOD Single : A 80 SER OG : rot 79:sc= 0.247 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.682 X(o=-0.68,f=-1) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.556 K(o=-0.56,f=-1.4!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0594 K(o=-0.059,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.542 -38.009 1.560 1.00 0.00 N ATOM 2 CA GLY A 1 -9.845 -37.383 2.878 1.00 0.00 C ATOM 3 C GLY A 1 -11.305 -37.523 3.266 1.00 0.00 C ATOM 4 O GLY A 1 -12.162 -37.709 2.403 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.020 -38.896 1.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.431 -38.210 1.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.964 -37.358 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.223 -37.842 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.581 -36.326 2.844 1.00 0.00 H new ATOM 10 N PRO A 2 -11.625 -37.436 4.570 1.00 0.00 N ATOM 11 CA PRO A 2 -13.003 -37.557 5.051 1.00 0.00 C ATOM 12 C PRO A 2 -13.852 -36.341 4.694 1.00 0.00 C ATOM 13 O PRO A 2 -15.055 -36.460 4.463 1.00 0.00 O ATOM 14 CB PRO A 2 -12.848 -37.679 6.567 1.00 0.00 C ATOM 15 CG PRO A 2 -11.548 -37.020 6.878 1.00 0.00 C ATOM 16 CD PRO A 2 -10.668 -37.216 5.672 1.00 0.00 C ATOM 0 HA PRO A 2 -13.517 -38.404 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.672 -37.191 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.846 -38.723 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.691 -35.959 7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.093 -37.460 7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.040 -36.344 5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.000 -38.068 5.798 1.00 0.00 H new ATOM 24 N LEU A 3 -13.220 -35.171 4.644 1.00 0.00 N ATOM 25 CA LEU A 3 -13.926 -33.941 4.306 1.00 0.00 C ATOM 26 C LEU A 3 -13.708 -33.586 2.839 1.00 0.00 C ATOM 27 O LEU A 3 -12.581 -33.613 2.345 1.00 0.00 O ATOM 28 CB LEU A 3 -13.461 -32.786 5.197 1.00 0.00 C ATOM 29 CG LEU A 3 -11.949 -32.697 5.415 1.00 0.00 C ATOM 30 CD1 LEU A 3 -11.487 -31.248 5.361 1.00 0.00 C ATOM 31 CD2 LEU A 3 -11.567 -33.332 6.744 1.00 0.00 C ATOM 0 H LEU A 3 -12.225 -35.050 4.833 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.990 -34.105 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.804 -31.849 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.947 -32.880 6.168 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.451 -33.245 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.409 -31.204 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.729 -30.825 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.991 -30.676 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.488 -33.261 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.074 -32.810 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.865 -34.381 6.745 1.00 0.00 H new ATOM 43 N GLY A 4 -14.794 -33.262 2.146 1.00 0.00 N ATOM 44 CA GLY A 4 -14.699 -32.914 0.740 1.00 0.00 C ATOM 45 C GLY A 4 -14.424 -31.440 0.516 1.00 0.00 C ATOM 46 O GLY A 4 -15.351 -30.654 0.318 1.00 0.00 O ATOM 0 H GLY A 4 -15.738 -33.234 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.905 -33.501 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.629 -33.185 0.240 1.00 0.00 H new ATOM 50 N SER A 5 -13.149 -31.063 0.546 1.00 0.00 N ATOM 51 CA SER A 5 -12.759 -29.671 0.340 1.00 0.00 C ATOM 52 C SER A 5 -12.512 -29.380 -1.140 1.00 0.00 C ATOM 53 O SER A 5 -13.119 -28.472 -1.709 1.00 0.00 O ATOM 54 CB SER A 5 -11.503 -29.339 1.152 1.00 0.00 C ATOM 55 OG SER A 5 -11.696 -28.183 1.953 1.00 0.00 O ATOM 0 H SER A 5 -12.370 -31.700 0.711 1.00 0.00 H new ATOM 0 HA SER A 5 -13.581 -29.042 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.245 -30.186 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.663 -29.180 0.477 1.00 0.00 H new ATOM 0 HG SER A 5 -10.879 -27.997 2.461 1.00 0.00 H new ATOM 61 N PRO A 6 -11.614 -30.147 -1.784 1.00 0.00 N ATOM 62 CA PRO A 6 -11.292 -29.961 -3.199 1.00 0.00 C ATOM 63 C PRO A 6 -12.333 -30.586 -4.124 1.00 0.00 C ATOM 64 O PRO A 6 -12.283 -30.401 -5.340 1.00 0.00 O ATOM 65 CB PRO A 6 -9.952 -30.679 -3.340 1.00 0.00 C ATOM 66 CG PRO A 6 -10.007 -31.772 -2.332 1.00 0.00 C ATOM 67 CD PRO A 6 -10.841 -31.254 -1.187 1.00 0.00 C ATOM 0 HA PRO A 6 -11.266 -28.908 -3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.817 -31.074 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.118 -30.004 -3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.450 -32.672 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.006 -32.039 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.496 -32.028 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.217 -30.907 -0.363 1.00 0.00 H new ATOM 75 N ARG A 7 -13.278 -31.324 -3.545 1.00 0.00 N ATOM 76 CA ARG A 7 -14.326 -31.966 -4.328 1.00 0.00 C ATOM 77 C ARG A 7 -15.569 -31.082 -4.410 1.00 0.00 C ATOM 78 O ARG A 7 -16.684 -31.577 -4.566 1.00 0.00 O ATOM 79 CB ARG A 7 -14.689 -33.322 -3.715 1.00 0.00 C ATOM 80 CG ARG A 7 -13.556 -34.335 -3.772 1.00 0.00 C ATOM 81 CD ARG A 7 -13.590 -35.286 -2.585 1.00 0.00 C ATOM 82 NE ARG A 7 -14.142 -36.593 -2.943 1.00 0.00 N ATOM 83 CZ ARG A 7 -15.334 -37.040 -2.544 1.00 0.00 C ATOM 84 NH1 ARG A 7 -16.117 -36.289 -1.777 1.00 0.00 N ATOM 85 NH2 ARG A 7 -15.744 -38.245 -2.916 1.00 0.00 N ATOM 0 H ARG A 7 -13.338 -31.490 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.947 -32.119 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.983 -33.175 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.556 -33.728 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.625 -34.906 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.600 -33.811 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.580 -35.414 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.188 -34.847 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.579 -37.202 -3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.809 -35.361 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.026 -36.641 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -15.149 -38.827 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -16.655 -38.590 -2.613 1.00 0.00 H new ATOM 99 N ASN A 8 -15.369 -29.770 -4.307 1.00 0.00 N ATOM 100 CA ASN A 8 -16.474 -28.821 -4.369 1.00 0.00 C ATOM 101 C ASN A 8 -16.681 -28.320 -5.795 1.00 0.00 C ATOM 102 O ASN A 8 -15.752 -27.817 -6.426 1.00 0.00 O ATOM 103 CB ASN A 8 -16.214 -27.641 -3.432 1.00 0.00 C ATOM 104 CG ASN A 8 -16.394 -28.013 -1.974 1.00 0.00 C ATOM 105 OD1 ASN A 8 -17.158 -28.921 -1.644 1.00 0.00 O ATOM 106 ND2 ASN A 8 -15.694 -27.311 -1.092 1.00 0.00 N ATOM 0 H ASN A 8 -14.452 -29.342 -4.180 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.381 -29.335 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.200 -27.273 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.892 -26.825 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.777 -27.515 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.073 -26.567 -1.410 1.00 0.00 H new ATOM 113 N ALA A 9 -17.905 -28.458 -6.294 1.00 0.00 N ATOM 114 CA ALA A 9 -18.232 -28.016 -7.644 1.00 0.00 C ATOM 115 C ALA A 9 -18.515 -26.519 -7.676 1.00 0.00 C ATOM 116 O ALA A 9 -19.654 -26.096 -7.881 1.00 0.00 O ATOM 117 CB ALA A 9 -19.424 -28.792 -8.181 1.00 0.00 C ATOM 0 H ALA A 9 -18.686 -28.872 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.370 -28.211 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.656 -28.451 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.186 -29.855 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.286 -28.627 -7.535 1.00 0.00 H new ATOM 123 N ASN A 10 -17.473 -25.722 -7.470 1.00 0.00 N ATOM 124 CA ASN A 10 -17.609 -24.271 -7.472 1.00 0.00 C ATOM 125 C ASN A 10 -17.206 -23.685 -8.820 1.00 0.00 C ATOM 126 O ASN A 10 -16.048 -23.777 -9.228 1.00 0.00 O ATOM 127 CB ASN A 10 -16.756 -23.658 -6.357 1.00 0.00 C ATOM 128 CG ASN A 10 -17.589 -22.876 -5.360 1.00 0.00 C ATOM 129 OD1 ASN A 10 -17.941 -23.383 -4.295 1.00 0.00 O ATOM 130 ND2 ASN A 10 -17.912 -21.634 -5.704 1.00 0.00 N ATOM 0 H ASN A 10 -16.525 -26.057 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.657 -24.029 -7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.219 -24.450 -5.836 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.006 -23.000 -6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.474 -21.060 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.598 -21.254 -6.597 1.00 0.00 H new ATOM 137 N ASP A 11 -18.170 -23.080 -9.507 1.00 0.00 N ATOM 138 CA ASP A 11 -17.915 -22.473 -10.808 1.00 0.00 C ATOM 139 C ASP A 11 -17.470 -21.019 -10.660 1.00 0.00 C ATOM 140 O ASP A 11 -17.039 -20.393 -11.629 1.00 0.00 O ATOM 141 CB ASP A 11 -19.169 -22.550 -11.684 1.00 0.00 C ATOM 142 CG ASP A 11 -20.321 -21.743 -11.119 1.00 0.00 C ATOM 143 OD1 ASP A 11 -20.207 -20.500 -11.073 1.00 0.00 O ATOM 144 OD2 ASP A 11 -21.336 -22.353 -10.724 1.00 0.00 O ATOM 0 H ASP A 11 -19.134 -22.997 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 11 -17.109 -23.030 -11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.932 -22.188 -12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.474 -23.591 -11.785 1.00 0.00 H new ATOM 149 N ASN A 12 -17.575 -20.485 -9.445 1.00 0.00 N ATOM 150 CA ASN A 12 -17.182 -19.107 -9.183 1.00 0.00 C ATOM 151 C ASN A 12 -15.676 -19.001 -8.971 1.00 0.00 C ATOM 152 O ASN A 12 -15.007 -19.992 -8.677 1.00 0.00 O ATOM 153 CB ASN A 12 -17.918 -18.565 -7.957 1.00 0.00 C ATOM 154 CG ASN A 12 -18.533 -17.204 -8.213 1.00 0.00 C ATOM 155 OD1 ASN A 12 -19.327 -17.033 -9.138 1.00 0.00 O ATOM 156 ND2 ASN A 12 -18.166 -16.225 -7.394 1.00 0.00 N ATOM 0 H ASN A 12 -17.928 -20.986 -8.630 1.00 0.00 H new ATOM 0 HA ASN A 12 -17.453 -18.510 -10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.700 -19.266 -7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.224 -18.496 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.545 -15.286 -7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.505 -16.412 -6.640 1.00 0.00 H new ATOM 163 N ASN A 13 -15.152 -17.790 -9.116 1.00 0.00 N ATOM 164 CA ASN A 13 -13.727 -17.548 -8.937 1.00 0.00 C ATOM 165 C ASN A 13 -13.477 -16.107 -8.510 1.00 0.00 C ATOM 166 O ASN A 13 -13.813 -15.168 -9.232 1.00 0.00 O ATOM 167 CB ASN A 13 -12.969 -17.848 -10.233 1.00 0.00 C ATOM 168 CG ASN A 13 -12.295 -19.205 -10.204 1.00 0.00 C ATOM 169 OD1 ASN A 13 -12.954 -20.237 -10.086 1.00 0.00 O ATOM 170 ND2 ASN A 13 -10.972 -19.210 -10.314 1.00 0.00 N ATOM 0 H ASN A 13 -15.694 -16.960 -9.357 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.364 -18.212 -8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.661 -17.806 -11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.218 -17.075 -10.399 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.463 -20.094 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.465 -18.330 -10.410 1.00 0.00 H new ATOM 177 N GLN A 14 -12.875 -15.937 -7.338 1.00 0.00 N ATOM 178 CA GLN A 14 -12.572 -14.605 -6.826 1.00 0.00 C ATOM 179 C GLN A 14 -11.251 -14.088 -7.394 1.00 0.00 C ATOM 180 O GLN A 14 -10.698 -13.105 -6.902 1.00 0.00 O ATOM 181 CB GLN A 14 -12.514 -14.621 -5.297 1.00 0.00 C ATOM 182 CG GLN A 14 -13.198 -13.427 -4.651 1.00 0.00 C ATOM 183 CD GLN A 14 -14.557 -13.777 -4.078 1.00 0.00 C ATOM 184 OE1 GLN A 14 -15.591 -13.450 -4.660 1.00 0.00 O ATOM 185 NE2 GLN A 14 -14.559 -14.445 -2.931 1.00 0.00 N ATOM 0 H GLN A 14 -12.588 -16.701 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.370 -13.933 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.980 -15.537 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.471 -14.647 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.563 -13.034 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.312 -12.634 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.676 -14.695 -2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.443 -14.709 -2.496 1.00 0.00 H new ATOM 194 N PHE A 15 -10.753 -14.754 -8.434 1.00 0.00 N ATOM 195 CA PHE A 15 -9.504 -14.362 -9.068 1.00 0.00 C ATOM 196 C PHE A 15 -9.739 -13.298 -10.134 1.00 0.00 C ATOM 197 O PHE A 15 -8.806 -12.616 -10.552 1.00 0.00 O ATOM 198 CB PHE A 15 -8.824 -15.582 -9.690 1.00 0.00 C ATOM 199 CG PHE A 15 -7.546 -15.970 -9.004 1.00 0.00 C ATOM 200 CD1 PHE A 15 -6.470 -15.099 -8.972 1.00 0.00 C ATOM 201 CD2 PHE A 15 -7.422 -17.206 -8.391 1.00 0.00 C ATOM 202 CE1 PHE A 15 -5.294 -15.452 -8.341 1.00 0.00 C ATOM 203 CE2 PHE A 15 -6.248 -17.566 -7.758 1.00 0.00 C ATOM 204 CZ PHE A 15 -5.182 -16.688 -7.734 1.00 0.00 C ATOM 0 H PHE A 15 -11.200 -15.569 -8.854 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.854 -13.940 -8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.513 -16.426 -9.662 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.616 -15.376 -10.740 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.552 -14.132 -9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.253 -17.896 -8.408 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.463 -14.763 -8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.164 -18.532 -7.283 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.262 -16.967 -7.241 1.00 0.00 H new ATOM 214 N TYR A 16 -10.987 -13.163 -10.573 1.00 0.00 N ATOM 215 CA TYR A 16 -11.332 -12.179 -11.593 1.00 0.00 C ATOM 216 C TYR A 16 -11.847 -10.891 -10.958 1.00 0.00 C ATOM 217 O TYR A 16 -11.367 -9.801 -11.268 1.00 0.00 O ATOM 218 CB TYR A 16 -12.385 -12.752 -12.546 1.00 0.00 C ATOM 219 CG TYR A 16 -12.578 -11.931 -13.802 1.00 0.00 C ATOM 220 CD1 TYR A 16 -13.171 -10.677 -13.751 1.00 0.00 C ATOM 221 CD2 TYR A 16 -12.168 -12.414 -15.038 1.00 0.00 C ATOM 222 CE1 TYR A 16 -13.353 -9.926 -14.897 1.00 0.00 C ATOM 223 CE2 TYR A 16 -12.345 -11.670 -16.189 1.00 0.00 C ATOM 224 CZ TYR A 16 -12.937 -10.427 -16.114 1.00 0.00 C ATOM 225 OH TYR A 16 -13.114 -9.684 -17.257 1.00 0.00 O ATOM 0 H TYR A 16 -11.773 -13.721 -10.240 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.429 -11.945 -12.157 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.097 -13.765 -12.825 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -13.337 -12.825 -12.020 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.496 -10.281 -12.800 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.703 -13.387 -15.101 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.818 -8.953 -14.841 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.021 -12.060 -17.143 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.766 -10.180 -18.027 1.00 0.00 H new ATOM 235 N GLN A 17 -12.827 -11.023 -10.069 1.00 0.00 N ATOM 236 CA GLN A 17 -13.408 -9.868 -9.392 1.00 0.00 C ATOM 237 C GLN A 17 -12.369 -9.156 -8.530 1.00 0.00 C ATOM 238 O GLN A 17 -12.162 -7.950 -8.660 1.00 0.00 O ATOM 239 CB GLN A 17 -14.592 -10.303 -8.526 1.00 0.00 C ATOM 240 CG GLN A 17 -15.734 -10.916 -9.320 1.00 0.00 C ATOM 241 CD GLN A 17 -16.892 -11.344 -8.439 1.00 0.00 C ATOM 242 OE1 GLN A 17 -17.100 -10.791 -7.358 1.00 0.00 O ATOM 243 NE2 GLN A 17 -17.654 -12.330 -8.897 1.00 0.00 N ATOM 0 H GLN A 17 -13.236 -11.918 -9.801 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.757 -9.171 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.245 -11.026 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.966 -9.439 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.089 -10.194 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.365 -11.779 -9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -17.445 -12.760 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -18.448 -12.658 -8.348 1.00 0.00 H new ATOM 252 N GLN A 18 -11.724 -9.909 -7.647 1.00 0.00 N ATOM 253 CA GLN A 18 -10.711 -9.350 -6.760 1.00 0.00 C ATOM 254 C GLN A 18 -9.457 -8.938 -7.532 1.00 0.00 C ATOM 255 O GLN A 18 -8.619 -8.200 -7.015 1.00 0.00 O ATOM 256 CB GLN A 18 -10.346 -10.359 -5.671 1.00 0.00 C ATOM 257 CG GLN A 18 -9.837 -9.715 -4.391 1.00 0.00 C ATOM 258 CD GLN A 18 -10.628 -10.138 -3.168 1.00 0.00 C ATOM 259 OE1 GLN A 18 -11.565 -9.456 -2.753 1.00 0.00 O ATOM 260 NE2 GLN A 18 -10.252 -11.269 -2.584 1.00 0.00 N ATOM 0 H GLN A 18 -11.885 -10.909 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.131 -8.457 -6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.222 -10.964 -5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.583 -11.036 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.789 -9.977 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.883 -8.631 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.469 -11.803 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.746 -11.605 -1.757 1.00 0.00 H new ATOM 269 N LYS A 19 -9.330 -9.416 -8.768 1.00 0.00 N ATOM 270 CA LYS A 19 -8.172 -9.087 -9.595 1.00 0.00 C ATOM 271 C LYS A 19 -8.052 -7.583 -9.797 1.00 0.00 C ATOM 272 O LYS A 19 -6.958 -7.059 -9.995 1.00 0.00 O ATOM 273 CB LYS A 19 -8.264 -9.788 -10.952 1.00 0.00 C ATOM 274 CG LYS A 19 -6.966 -10.457 -11.379 1.00 0.00 C ATOM 275 CD LYS A 19 -6.728 -10.317 -12.875 1.00 0.00 C ATOM 276 CE LYS A 19 -7.824 -10.993 -13.682 1.00 0.00 C ATOM 277 NZ LYS A 19 -7.312 -11.534 -14.973 1.00 0.00 N ATOM 0 H LYS A 19 -10.011 -10.029 -9.217 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.281 -9.437 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.054 -10.538 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.554 -9.060 -11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.132 -10.014 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.996 -11.513 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.680 -9.261 -13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.763 -10.754 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.259 -11.803 -13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.623 -10.278 -13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.091 -11.987 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.920 -10.758 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.568 -12.235 -14.785 1.00 0.00 H new ATOM 291 N GLN A 20 -9.184 -6.896 -9.750 1.00 0.00 N ATOM 292 CA GLN A 20 -9.211 -5.450 -9.934 1.00 0.00 C ATOM 293 C GLN A 20 -8.565 -4.733 -8.752 1.00 0.00 C ATOM 294 O GLN A 20 -7.639 -3.941 -8.923 1.00 0.00 O ATOM 295 CB GLN A 20 -10.653 -4.969 -10.109 1.00 0.00 C ATOM 296 CG GLN A 20 -11.084 -4.866 -11.563 1.00 0.00 C ATOM 297 CD GLN A 20 -12.503 -4.357 -11.712 1.00 0.00 C ATOM 298 OE1 GLN A 20 -13.465 -5.106 -11.545 1.00 0.00 O ATOM 299 NE2 GLN A 20 -12.641 -3.074 -12.028 1.00 0.00 N ATOM 0 H GLN A 20 -10.099 -7.317 -9.586 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.640 -5.213 -10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.322 -5.653 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.762 -3.993 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.404 -4.199 -12.094 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.001 -5.846 -12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.816 -2.489 -12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.572 -2.674 -12.141 1.00 0.00 H new ATOM 308 N ARG A 21 -9.063 -5.011 -7.555 1.00 0.00 N ATOM 309 CA ARG A 21 -8.539 -4.392 -6.344 1.00 0.00 C ATOM 310 C ARG A 21 -7.032 -4.583 -6.228 1.00 0.00 C ATOM 311 O ARG A 21 -6.276 -3.612 -6.168 1.00 0.00 O ATOM 312 CB ARG A 21 -9.237 -4.978 -5.125 1.00 0.00 C ATOM 313 CG ARG A 21 -10.710 -4.603 -5.046 1.00 0.00 C ATOM 314 CD ARG A 21 -11.526 -5.654 -4.313 1.00 0.00 C ATOM 315 NE ARG A 21 -12.582 -5.050 -3.504 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.734 -5.649 -3.209 1.00 0.00 C ATOM 317 NH1 ARG A 21 -13.989 -6.878 -3.641 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.639 -5.012 -2.476 1.00 0.00 N ATOM 0 H ARG A 21 -9.831 -5.663 -7.396 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.735 -3.321 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.145 -6.064 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.731 -4.634 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.813 -3.644 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.106 -4.474 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.968 -6.340 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.869 -6.244 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.427 -4.109 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.299 -7.374 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.875 -7.327 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.451 -4.067 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.523 -5.467 -2.248 1.00 0.00 H new ATOM 332 N GLN A 22 -6.599 -5.837 -6.200 1.00 0.00 N ATOM 333 CA GLN A 22 -5.181 -6.148 -6.093 1.00 0.00 C ATOM 334 C GLN A 22 -4.406 -5.611 -7.292 1.00 0.00 C ATOM 335 O GLN A 22 -3.188 -5.456 -7.228 1.00 0.00 O ATOM 336 CB GLN A 22 -4.973 -7.656 -5.976 1.00 0.00 C ATOM 337 CG GLN A 22 -3.576 -8.039 -5.519 1.00 0.00 C ATOM 338 CD GLN A 22 -3.370 -9.539 -5.474 1.00 0.00 C ATOM 339 OE1 GLN A 22 -3.986 -10.238 -4.670 1.00 0.00 O ATOM 340 NE2 GLN A 22 -2.500 -10.043 -6.340 1.00 0.00 N ATOM 0 H GLN A 22 -7.209 -6.653 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.802 -5.663 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.701 -8.062 -5.274 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.170 -8.119 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.843 -7.595 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.394 -7.621 -4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.011 -9.427 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.320 -11.047 -6.356 1.00 0.00 H new ATOM 349 N ALA A 23 -5.111 -5.323 -8.383 1.00 0.00 N ATOM 350 CA ALA A 23 -4.459 -4.801 -9.581 1.00 0.00 C ATOM 351 C ALA A 23 -3.961 -3.382 -9.346 1.00 0.00 C ATOM 352 O ALA A 23 -2.760 -3.152 -9.203 1.00 0.00 O ATOM 353 CB ALA A 23 -5.397 -4.840 -10.780 1.00 0.00 C ATOM 0 H ALA A 23 -6.121 -5.440 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.603 -5.440 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.884 -4.445 -11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.701 -5.869 -10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.279 -4.234 -10.572 1.00 0.00 H new ATOM 359 N LEU A 24 -4.887 -2.431 -9.301 1.00 0.00 N ATOM 360 CA LEU A 24 -4.531 -1.042 -9.078 1.00 0.00 C ATOM 361 C LEU A 24 -3.828 -0.874 -7.736 1.00 0.00 C ATOM 362 O LEU A 24 -2.888 -0.085 -7.608 1.00 0.00 O ATOM 363 CB LEU A 24 -5.783 -0.171 -9.149 1.00 0.00 C ATOM 364 CG LEU A 24 -6.099 0.373 -10.538 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.938 1.198 -11.077 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.424 -0.778 -11.471 1.00 0.00 C ATOM 0 H LEU A 24 -5.886 -2.600 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.838 -0.725 -9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.635 -0.753 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.666 0.668 -8.463 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.965 1.031 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.189 1.574 -12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.746 2.037 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.047 0.574 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.650 -0.389 -12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.568 -1.451 -11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.288 -1.323 -11.090 1.00 0.00 H new ATOM 378 N GLY A 25 -4.268 -1.630 -6.736 1.00 0.00 N ATOM 379 CA GLY A 25 -3.648 -1.538 -5.431 1.00 0.00 C ATOM 380 C GLY A 25 -2.179 -1.890 -5.499 1.00 0.00 C ATOM 381 O GLY A 25 -1.356 -1.300 -4.797 1.00 0.00 O ATOM 0 H GLY A 25 -5.036 -2.298 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.765 -0.527 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.154 -2.209 -4.737 1.00 0.00 H new ATOM 385 N GLU A 26 -1.842 -2.842 -6.365 1.00 0.00 N ATOM 386 CA GLU A 26 -0.457 -3.248 -6.536 1.00 0.00 C ATOM 387 C GLU A 26 0.389 -2.045 -6.927 1.00 0.00 C ATOM 388 O GLU A 26 1.550 -1.934 -6.532 1.00 0.00 O ATOM 389 CB GLU A 26 -0.343 -4.346 -7.595 1.00 0.00 C ATOM 390 CG GLU A 26 0.429 -5.563 -7.118 1.00 0.00 C ATOM 391 CD GLU A 26 1.653 -5.858 -7.965 1.00 0.00 C ATOM 392 OE1 GLU A 26 1.722 -5.357 -9.107 1.00 0.00 O ATOM 393 OE2 GLU A 26 2.541 -6.593 -7.485 1.00 0.00 O ATOM 0 H GLU A 26 -2.507 -3.342 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.090 -3.648 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.344 -4.655 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.146 -3.938 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.738 -5.408 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.230 -6.431 -7.127 1.00 0.00 H new ATOM 400 N GLN A 27 -0.209 -1.136 -7.695 1.00 0.00 N ATOM 401 CA GLN A 27 0.488 0.067 -8.122 1.00 0.00 C ATOM 402 C GLN A 27 0.994 0.840 -6.915 1.00 0.00 C ATOM 403 O GLN A 27 2.070 1.431 -6.952 1.00 0.00 O ATOM 404 CB GLN A 27 -0.420 0.937 -8.987 1.00 0.00 C ATOM 405 CG GLN A 27 -0.469 0.486 -10.438 1.00 0.00 C ATOM 406 CD GLN A 27 -0.954 -0.944 -10.597 1.00 0.00 C ATOM 407 OE1 GLN A 27 -0.300 -1.887 -10.153 1.00 0.00 O ATOM 408 NE2 GLN A 27 -2.107 -1.111 -11.237 1.00 0.00 N ATOM 0 H GLN A 27 -1.169 -1.212 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 27 1.347 -0.224 -8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.429 0.923 -8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.073 1.969 -8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.126 1.151 -10.998 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.525 0.578 -10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.617 -0.301 -11.589 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.482 -2.049 -11.376 1.00 0.00 H new ATOM 417 N LEU A 28 0.225 0.808 -5.833 1.00 0.00 N ATOM 418 CA LEU A 28 0.618 1.487 -4.600 1.00 0.00 C ATOM 419 C LEU A 28 1.983 0.991 -4.136 1.00 0.00 C ATOM 420 O LEU A 28 2.851 1.773 -3.748 1.00 0.00 O ATOM 421 CB LEU A 28 -0.418 1.237 -3.499 1.00 0.00 C ATOM 422 CG LEU A 28 -0.609 2.391 -2.513 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.151 3.613 -3.227 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.540 1.988 -1.380 1.00 0.00 C ATOM 0 H LEU A 28 -0.670 0.322 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 28 0.674 2.557 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.377 1.017 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.125 0.348 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 28 0.364 2.636 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.281 4.425 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.450 3.922 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.112 3.372 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.660 2.825 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.512 1.712 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.116 1.138 -0.846 1.00 0.00 H new ATOM 436 N TYR A 29 2.150 -0.323 -4.170 1.00 0.00 N ATOM 437 CA TYR A 29 3.387 -0.957 -3.741 1.00 0.00 C ATOM 438 C TYR A 29 4.542 -0.709 -4.717 1.00 0.00 C ATOM 439 O TYR A 29 5.602 -0.230 -4.316 1.00 0.00 O ATOM 440 CB TYR A 29 3.147 -2.455 -3.576 1.00 0.00 C ATOM 441 CG TYR A 29 4.382 -3.237 -3.207 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.112 -2.927 -2.066 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.812 -4.289 -3.999 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.241 -3.647 -1.729 1.00 0.00 C ATOM 445 CE2 TYR A 29 5.937 -5.016 -3.668 1.00 0.00 C ATOM 446 CZ TYR A 29 6.648 -4.691 -2.533 1.00 0.00 C ATOM 447 OH TYR A 29 7.764 -5.416 -2.199 1.00 0.00 O ATOM 0 H TYR A 29 1.436 -0.976 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 29 3.680 -0.513 -2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.389 -2.609 -2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.742 -2.852 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.792 -2.112 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.258 -4.544 -4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.802 -3.394 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.258 -5.835 -4.295 1.00 0.00 H new ATOM 0 HH TYR A 29 8.566 -4.933 -2.487 1.00 0.00 H new ATOM 457 N LYS A 30 4.346 -1.045 -5.991 1.00 0.00 N ATOM 458 CA LYS A 30 5.395 -0.856 -6.993 1.00 0.00 C ATOM 459 C LYS A 30 5.831 0.606 -7.068 1.00 0.00 C ATOM 460 O LYS A 30 6.989 0.903 -7.362 1.00 0.00 O ATOM 461 CB LYS A 30 4.932 -1.349 -8.370 1.00 0.00 C ATOM 462 CG LYS A 30 3.629 -0.728 -8.840 1.00 0.00 C ATOM 463 CD LYS A 30 2.863 -1.662 -9.770 1.00 0.00 C ATOM 464 CE LYS A 30 3.435 -1.657 -11.178 1.00 0.00 C ATOM 465 NZ LYS A 30 3.661 -3.039 -11.679 1.00 0.00 N ATOM 0 H LYS A 30 3.480 -1.445 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 30 6.256 -1.450 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.710 -1.134 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.816 -2.432 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.009 -0.485 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.838 0.209 -9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.892 -2.676 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.816 -1.362 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.753 -1.133 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.376 -1.107 -11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.052 -3.000 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.331 -3.530 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.758 -3.555 -11.692 1.00 0.00 H new ATOM 479 N LYS A 31 4.900 1.515 -6.794 1.00 0.00 N ATOM 480 CA LYS A 31 5.201 2.944 -6.824 1.00 0.00 C ATOM 481 C LYS A 31 6.266 3.287 -5.788 1.00 0.00 C ATOM 482 O LYS A 31 7.104 4.161 -6.009 1.00 0.00 O ATOM 483 CB LYS A 31 3.939 3.764 -6.564 1.00 0.00 C ATOM 484 CG LYS A 31 3.945 5.117 -7.253 1.00 0.00 C ATOM 485 CD LYS A 31 2.704 5.317 -8.107 1.00 0.00 C ATOM 486 CE LYS A 31 3.029 6.059 -9.395 1.00 0.00 C ATOM 487 NZ LYS A 31 2.968 7.536 -9.218 1.00 0.00 N ATOM 0 H LYS A 31 3.936 1.290 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 31 5.581 3.191 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.071 3.197 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.826 3.912 -5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.003 5.907 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.834 5.204 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.264 4.348 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.958 5.876 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.025 5.775 -9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.328 5.758 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.874 7.993 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.149 7.781 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.839 7.867 -8.756 1.00 0.00 H new ATOM 501 N VAL A 32 6.235 2.578 -4.666 1.00 0.00 N ATOM 502 CA VAL A 32 7.213 2.798 -3.609 1.00 0.00 C ATOM 503 C VAL A 32 8.513 2.077 -3.944 1.00 0.00 C ATOM 504 O VAL A 32 9.595 2.663 -3.881 1.00 0.00 O ATOM 505 CB VAL A 32 6.708 2.308 -2.240 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.696 2.684 -1.149 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.331 2.878 -1.937 1.00 0.00 C ATOM 0 H VAL A 32 5.548 1.851 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 32 7.380 3.873 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 32 6.624 1.222 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.326 2.331 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.661 2.223 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.810 3.768 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.994 2.518 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.383 3.967 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.628 2.558 -2.706 1.00 0.00 H new ATOM 517 N SER A 33 8.398 0.804 -4.320 1.00 0.00 N ATOM 518 CA SER A 33 9.560 -0.001 -4.685 1.00 0.00 C ATOM 519 C SER A 33 10.086 0.377 -6.072 1.00 0.00 C ATOM 520 O SER A 33 11.002 -0.264 -6.590 1.00 0.00 O ATOM 521 CB SER A 33 9.199 -1.489 -4.656 1.00 0.00 C ATOM 522 OG SER A 33 9.861 -2.152 -3.593 1.00 0.00 O ATOM 0 H SER A 33 7.509 0.308 -4.379 1.00 0.00 H new ATOM 0 HA SER A 33 10.346 0.197 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.121 -1.603 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.472 -1.952 -5.604 1.00 0.00 H new ATOM 0 HG SER A 33 10.830 -2.061 -3.704 1.00 0.00 H new ATOM 528 N ALA A 34 9.506 1.416 -6.674 1.00 0.00 N ATOM 529 CA ALA A 34 9.920 1.868 -7.997 1.00 0.00 C ATOM 530 C ALA A 34 11.402 2.236 -8.028 1.00 0.00 C ATOM 531 O ALA A 34 11.996 2.360 -9.100 1.00 0.00 O ATOM 532 CB ALA A 34 9.070 3.055 -8.430 1.00 0.00 C ATOM 0 H ALA A 34 8.747 1.959 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 34 9.771 1.045 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.385 3.387 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.022 2.759 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.194 3.870 -7.717 1.00 0.00 H new ATOM 538 N LYS A 35 12.000 2.410 -6.850 1.00 0.00 N ATOM 539 CA LYS A 35 13.413 2.762 -6.753 1.00 0.00 C ATOM 540 C LYS A 35 14.248 1.550 -6.339 1.00 0.00 C ATOM 541 O LYS A 35 15.454 1.503 -6.584 1.00 0.00 O ATOM 542 CB LYS A 35 13.600 3.897 -5.741 1.00 0.00 C ATOM 543 CG LYS A 35 14.174 5.168 -6.347 1.00 0.00 C ATOM 544 CD LYS A 35 13.080 6.168 -6.687 1.00 0.00 C ATOM 545 CE LYS A 35 13.267 6.749 -8.078 1.00 0.00 C ATOM 546 NZ LYS A 35 12.305 7.851 -8.353 1.00 0.00 N ATOM 0 H LYS A 35 11.527 2.313 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 35 13.753 3.094 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.638 4.126 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.259 3.555 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.877 5.620 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.735 4.921 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.107 5.680 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.081 6.973 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.286 7.122 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.139 5.961 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.465 8.221 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.333 7.489 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.444 8.614 -7.660 1.00 0.00 H new ATOM 560 N THR A 36 13.598 0.572 -5.715 1.00 0.00 N ATOM 561 CA THR A 36 14.277 -0.639 -5.273 1.00 0.00 C ATOM 562 C THR A 36 13.268 -1.742 -4.974 1.00 0.00 C ATOM 563 O THR A 36 12.130 -1.467 -4.589 1.00 0.00 O ATOM 564 CB THR A 36 15.124 -0.350 -4.031 1.00 0.00 C ATOM 565 OG1 THR A 36 15.621 -1.554 -3.472 1.00 0.00 O ATOM 566 CG2 THR A 36 14.362 0.376 -2.946 1.00 0.00 C ATOM 0 H THR A 36 12.600 0.596 -5.504 1.00 0.00 H new ATOM 0 HA THR A 36 14.932 -0.977 -6.076 1.00 0.00 H new ATOM 0 HB THR A 36 15.935 0.291 -4.376 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.335 -1.623 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.019 0.550 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.004 1.331 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.512 -0.229 -2.631 1.00 0.00 H new ATOM 574 N SER A 37 13.690 -2.991 -5.146 1.00 0.00 N ATOM 575 CA SER A 37 12.820 -4.133 -4.889 1.00 0.00 C ATOM 576 C SER A 37 12.872 -4.537 -3.418 1.00 0.00 C ATOM 577 O SER A 37 12.865 -5.722 -3.087 1.00 0.00 O ATOM 578 CB SER A 37 13.222 -5.317 -5.771 1.00 0.00 C ATOM 579 OG SER A 37 14.629 -5.477 -5.800 1.00 0.00 O ATOM 0 H SER A 37 14.628 -3.238 -5.462 1.00 0.00 H new ATOM 0 HA SER A 37 11.798 -3.841 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.757 -6.229 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.849 -5.163 -6.784 1.00 0.00 H new ATOM 0 HG SER A 37 14.860 -6.241 -6.369 1.00 0.00 H new ATOM 585 N ASN A 38 12.909 -3.539 -2.540 1.00 0.00 N ATOM 586 CA ASN A 38 12.945 -3.782 -1.104 1.00 0.00 C ATOM 587 C ASN A 38 11.548 -4.119 -0.588 1.00 0.00 C ATOM 588 O ASN A 38 10.748 -3.226 -0.313 1.00 0.00 O ATOM 589 CB ASN A 38 13.507 -2.564 -0.367 1.00 0.00 C ATOM 590 CG ASN A 38 15.020 -2.578 -0.291 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.703 -2.720 -1.307 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.554 -2.429 0.915 1.00 0.00 N ATOM 0 H ASN A 38 12.915 -2.553 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 38 13.601 -4.632 -0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.180 -1.655 -0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.096 -2.533 0.642 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.568 -2.429 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.951 -2.314 1.729 1.00 0.00 H new ATOM 599 N GLU A 39 11.259 -5.409 -0.469 1.00 0.00 N ATOM 600 CA GLU A 39 9.954 -5.862 0.006 1.00 0.00 C ATOM 601 C GLU A 39 9.646 -5.303 1.389 1.00 0.00 C ATOM 602 O GLU A 39 8.485 -5.100 1.745 1.00 0.00 O ATOM 603 CB GLU A 39 9.900 -7.390 0.033 1.00 0.00 C ATOM 604 CG GLU A 39 10.179 -8.028 -1.318 1.00 0.00 C ATOM 605 CD GLU A 39 10.002 -9.534 -1.302 1.00 0.00 C ATOM 606 OE1 GLU A 39 8.842 -9.996 -1.339 1.00 0.00 O ATOM 607 OE2 GLU A 39 11.023 -10.252 -1.256 1.00 0.00 O ATOM 0 H GLU A 39 11.910 -6.161 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 39 9.198 -5.491 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.626 -7.759 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.916 -7.705 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.512 -7.596 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.197 -7.789 -1.625 1.00 0.00 H new ATOM 614 N GLU A 40 10.692 -5.043 2.162 1.00 0.00 N ATOM 615 CA GLU A 40 10.529 -4.496 3.502 1.00 0.00 C ATOM 616 C GLU A 40 10.381 -2.982 3.445 1.00 0.00 C ATOM 617 O GLU A 40 9.792 -2.371 4.336 1.00 0.00 O ATOM 618 CB GLU A 40 11.724 -4.876 4.374 1.00 0.00 C ATOM 619 CG GLU A 40 11.605 -6.260 4.984 1.00 0.00 C ATOM 620 CD GLU A 40 11.281 -6.219 6.464 1.00 0.00 C ATOM 621 OE1 GLU A 40 11.720 -5.267 7.142 1.00 0.00 O ATOM 622 OE2 GLU A 40 10.584 -7.138 6.945 1.00 0.00 O ATOM 0 H GLU A 40 11.661 -5.202 1.885 1.00 0.00 H new ATOM 0 HA GLU A 40 9.624 -4.916 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.633 -4.828 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.830 -4.142 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.828 -6.818 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.540 -6.800 4.835 1.00 0.00 H new ATOM 629 N ALA A 41 10.916 -2.386 2.386 1.00 0.00 N ATOM 630 CA ALA A 41 10.847 -0.946 2.196 1.00 0.00 C ATOM 631 C ALA A 41 9.450 -0.503 1.789 1.00 0.00 C ATOM 632 O ALA A 41 8.734 0.135 2.559 1.00 0.00 O ATOM 633 CB ALA A 41 11.838 -0.520 1.131 1.00 0.00 C ATOM 0 H ALA A 41 11.405 -2.884 1.642 1.00 0.00 H new ATOM 0 HA ALA A 41 11.093 -0.473 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.782 0.560 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.846 -0.794 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.599 -1.019 0.192 1.00 0.00 H new ATOM 639 N ALA A 42 9.078 -0.837 0.563 1.00 0.00 N ATOM 640 CA ALA A 42 7.779 -0.470 0.028 1.00 0.00 C ATOM 641 C ALA A 42 6.660 -1.066 0.864 1.00 0.00 C ATOM 642 O ALA A 42 5.584 -0.481 0.973 1.00 0.00 O ATOM 643 CB ALA A 42 7.665 -0.899 -1.425 1.00 0.00 C ATOM 0 H ALA A 42 9.664 -1.366 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 42 7.682 0.615 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.686 -0.617 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.442 -0.408 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.785 -1.980 -1.496 1.00 0.00 H new ATOM 649 N GLY A 43 6.921 -2.216 1.475 1.00 0.00 N ATOM 650 CA GLY A 43 5.916 -2.834 2.312 1.00 0.00 C ATOM 651 C GLY A 43 5.621 -1.988 3.532 1.00 0.00 C ATOM 652 O GLY A 43 4.530 -2.056 4.099 1.00 0.00 O ATOM 0 H GLY A 43 7.802 -2.725 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.001 -2.980 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.257 -3.821 2.625 1.00 0.00 H new ATOM 656 N LYS A 44 6.600 -1.173 3.928 1.00 0.00 N ATOM 657 CA LYS A 44 6.439 -0.293 5.081 1.00 0.00 C ATOM 658 C LYS A 44 5.505 0.859 4.732 1.00 0.00 C ATOM 659 O LYS A 44 4.494 1.082 5.399 1.00 0.00 O ATOM 660 CB LYS A 44 7.797 0.245 5.538 1.00 0.00 C ATOM 661 CG LYS A 44 8.369 -0.493 6.738 1.00 0.00 C ATOM 662 CD LYS A 44 9.868 -0.698 6.599 1.00 0.00 C ATOM 663 CE LYS A 44 10.309 -2.023 7.202 1.00 0.00 C ATOM 664 NZ LYS A 44 11.757 -2.282 6.975 1.00 0.00 N ATOM 0 H LYS A 44 7.508 -1.106 3.468 1.00 0.00 H new ATOM 0 HA LYS A 44 6.002 -0.866 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.503 0.178 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.696 1.302 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.160 0.071 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.876 -1.460 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.144 -0.667 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.395 0.120 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.104 -2.021 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.723 -2.833 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.940 -3.304 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.028 -1.935 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.316 -1.788 7.700 1.00 0.00 H new ATOM 678 N ILE A 45 5.847 1.579 3.670 1.00 0.00 N ATOM 679 CA ILE A 45 5.042 2.698 3.209 1.00 0.00 C ATOM 680 C ILE A 45 3.674 2.210 2.742 1.00 0.00 C ATOM 681 O ILE A 45 2.657 2.861 2.976 1.00 0.00 O ATOM 682 CB ILE A 45 5.746 3.442 2.058 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.070 4.036 2.547 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.852 4.528 1.474 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.962 4.477 1.421 1.00 0.00 C ATOM 0 H ILE A 45 6.682 1.404 3.111 1.00 0.00 H new ATOM 0 HA ILE A 45 4.913 3.387 4.044 1.00 0.00 H new ATOM 0 HB ILE A 45 5.954 2.724 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.863 4.887 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.594 3.295 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.377 5.035 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.937 4.078 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.601 5.250 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.885 4.889 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.195 3.623 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.453 5.239 0.831 1.00 0.00 H new ATOM 697 N THR A 46 3.661 1.050 2.089 1.00 0.00 N ATOM 698 CA THR A 46 2.417 0.462 1.599 1.00 0.00 C ATOM 699 C THR A 46 1.426 0.293 2.748 1.00 0.00 C ATOM 700 O THR A 46 0.234 0.560 2.596 1.00 0.00 O ATOM 701 CB THR A 46 2.695 -0.887 0.921 1.00 0.00 C ATOM 702 OG1 THR A 46 3.472 -0.705 -0.250 1.00 0.00 O ATOM 703 CG2 THR A 46 1.442 -1.644 0.519 1.00 0.00 C ATOM 0 H THR A 46 4.496 0.500 1.887 1.00 0.00 H new ATOM 0 HA THR A 46 1.978 1.133 0.860 1.00 0.00 H new ATOM 0 HB THR A 46 3.224 -1.474 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.308 -0.249 -0.020 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.722 -2.586 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.840 -1.847 1.404 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.864 -1.044 -0.183 1.00 0.00 H new ATOM 711 N GLY A 47 1.929 -0.142 3.901 1.00 0.00 N ATOM 712 CA GLY A 47 1.074 -0.326 5.059 1.00 0.00 C ATOM 713 C GLY A 47 0.447 0.975 5.510 1.00 0.00 C ATOM 714 O GLY A 47 -0.688 0.993 5.988 1.00 0.00 O ATOM 0 H GLY A 47 2.912 -0.370 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.289 -1.044 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.657 -0.751 5.877 1.00 0.00 H new ATOM 718 N MET A 48 1.180 2.070 5.339 1.00 0.00 N ATOM 719 CA MET A 48 0.679 3.384 5.715 1.00 0.00 C ATOM 720 C MET A 48 -0.368 3.842 4.708 1.00 0.00 C ATOM 721 O MET A 48 -1.471 4.235 5.086 1.00 0.00 O ATOM 722 CB MET A 48 1.824 4.395 5.797 1.00 0.00 C ATOM 723 CG MET A 48 3.070 3.843 6.471 1.00 0.00 C ATOM 724 SD MET A 48 3.985 5.101 7.381 1.00 0.00 S ATOM 725 CE MET A 48 5.598 4.329 7.484 1.00 0.00 C ATOM 0 H MET A 48 2.120 2.072 4.944 1.00 0.00 H new ATOM 0 HA MET A 48 0.218 3.317 6.700 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.080 4.725 4.790 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.484 5.275 6.344 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.784 3.043 7.154 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.721 3.401 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.107 4.668 8.387 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.481 3.246 7.518 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.189 4.603 6.610 1.00 0.00 H new ATOM 735 N ILE A 49 -0.035 3.757 3.418 1.00 0.00 N ATOM 736 CA ILE A 49 -0.977 4.134 2.368 1.00 0.00 C ATOM 737 C ILE A 49 -2.073 3.078 2.239 1.00 0.00 C ATOM 738 O ILE A 49 -2.963 3.187 1.396 1.00 0.00 O ATOM 739 CB ILE A 49 -0.294 4.323 0.998 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.050 5.037 1.157 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.199 5.113 0.060 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.012 4.771 0.020 1.00 0.00 C ATOM 0 H ILE A 49 0.871 3.433 3.080 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.406 5.092 2.662 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.113 3.338 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.876 6.110 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.511 4.723 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.704 5.239 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.136 4.574 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.405 6.092 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.944 5.308 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.216 3.702 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.571 5.111 -0.917 1.00 0.00 H new ATOM 754 N LEU A 50 -2.013 2.064 3.100 1.00 0.00 N ATOM 755 CA LEU A 50 -3.010 1.005 3.107 1.00 0.00 C ATOM 756 C LEU A 50 -4.328 1.522 3.692 1.00 0.00 C ATOM 757 O LEU A 50 -5.277 0.758 3.873 1.00 0.00 O ATOM 758 CB LEU A 50 -2.503 -0.186 3.924 1.00 0.00 C ATOM 759 CG LEU A 50 -2.868 -1.565 3.373 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.376 -1.762 3.382 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.310 -1.751 1.969 1.00 0.00 C ATOM 0 H LEU A 50 -1.281 1.957 3.802 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.186 0.681 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.418 -0.119 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.896 -0.103 4.937 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.419 -2.320 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.616 -2.749 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.748 -1.680 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.846 -0.998 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.582 -2.739 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.724 -0.988 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.224 -1.659 1.994 1.00 0.00 H new ATOM 773 N ASP A 51 -4.381 2.825 3.976 1.00 0.00 N ATOM 774 CA ASP A 51 -5.576 3.445 4.526 1.00 0.00 C ATOM 775 C ASP A 51 -6.633 3.617 3.439 1.00 0.00 C ATOM 776 O ASP A 51 -7.832 3.610 3.718 1.00 0.00 O ATOM 777 CB ASP A 51 -5.225 4.802 5.145 1.00 0.00 C ATOM 778 CG ASP A 51 -5.434 4.830 6.647 1.00 0.00 C ATOM 779 OD1 ASP A 51 -4.542 4.350 7.380 1.00 0.00 O ATOM 780 OD2 ASP A 51 -6.486 5.335 7.091 1.00 0.00 O ATOM 0 H ASP A 51 -3.603 3.469 3.831 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.981 2.797 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.185 5.041 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.836 5.577 4.682 1.00 0.00 H new ATOM 785 N LEU A 52 -6.175 3.751 2.197 1.00 0.00 N ATOM 786 CA LEU A 52 -7.078 3.900 1.064 1.00 0.00 C ATOM 787 C LEU A 52 -7.698 2.551 0.719 1.00 0.00 C ATOM 788 O LEU A 52 -6.981 1.597 0.419 1.00 0.00 O ATOM 789 CB LEU A 52 -6.325 4.444 -0.152 1.00 0.00 C ATOM 790 CG LEU A 52 -5.737 5.848 0.006 1.00 0.00 C ATOM 791 CD1 LEU A 52 -6.769 6.809 0.573 1.00 0.00 C ATOM 792 CD2 LEU A 52 -4.503 5.809 0.892 1.00 0.00 C ATOM 0 H LEU A 52 -5.185 3.759 1.952 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.864 4.604 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.515 3.756 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.004 4.448 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.446 6.208 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.326 7.800 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.625 6.862 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.097 6.455 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.097 6.815 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.773 5.425 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.753 5.159 0.442 1.00 0.00 H new ATOM 804 N PRO A 53 -9.037 2.440 0.754 1.00 0.00 N ATOM 805 CA PRO A 53 -9.712 1.182 0.439 1.00 0.00 C ATOM 806 C PRO A 53 -9.226 0.594 -0.882 1.00 0.00 C ATOM 807 O PRO A 53 -8.515 1.255 -1.640 1.00 0.00 O ATOM 808 CB PRO A 53 -11.186 1.568 0.343 1.00 0.00 C ATOM 809 CG PRO A 53 -11.321 2.826 1.135 1.00 0.00 C ATOM 810 CD PRO A 53 -9.982 3.514 1.096 1.00 0.00 C ATOM 0 HA PRO A 53 -9.517 0.416 1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.484 1.723 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.825 0.781 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.096 3.466 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.612 2.606 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.965 4.311 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.739 3.968 2.057 1.00 0.00 H new ATOM 818 N PRO A 54 -9.595 -0.661 -1.177 1.00 0.00 N ATOM 819 CA PRO A 54 -9.184 -1.332 -2.413 1.00 0.00 C ATOM 820 C PRO A 54 -9.407 -0.474 -3.659 1.00 0.00 C ATOM 821 O PRO A 54 -8.457 -0.123 -4.357 1.00 0.00 O ATOM 822 CB PRO A 54 -10.074 -2.574 -2.447 1.00 0.00 C ATOM 823 CG PRO A 54 -10.354 -2.868 -1.014 1.00 0.00 C ATOM 824 CD PRO A 54 -10.435 -1.531 -0.328 1.00 0.00 C ATOM 0 HA PRO A 54 -8.116 -1.550 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.994 -2.389 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.571 -3.410 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.287 -3.421 -0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.566 -3.483 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.462 -1.169 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.059 -1.580 0.694 1.00 0.00 H new ATOM 832 N GLN A 55 -10.662 -0.144 -3.937 1.00 0.00 N ATOM 833 CA GLN A 55 -10.991 0.670 -5.106 1.00 0.00 C ATOM 834 C GLN A 55 -10.670 2.147 -4.873 1.00 0.00 C ATOM 835 O GLN A 55 -10.179 2.835 -5.769 1.00 0.00 O ATOM 836 CB GLN A 55 -12.464 0.510 -5.482 1.00 0.00 C ATOM 837 CG GLN A 55 -12.990 -0.911 -5.329 1.00 0.00 C ATOM 838 CD GLN A 55 -14.125 -1.013 -4.325 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.164 -1.931 -3.506 1.00 0.00 O ATOM 840 NE2 GLN A 55 -15.055 -0.067 -4.384 1.00 0.00 N ATOM 0 H GLN A 55 -11.466 -0.424 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.373 0.314 -5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.062 1.177 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.602 0.828 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.334 -1.272 -6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.175 -1.564 -5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.983 0.676 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.841 -0.083 -3.734 1.00 0.00 H new ATOM 849 N GLU A 56 -10.965 2.632 -3.669 1.00 0.00 N ATOM 850 CA GLU A 56 -10.724 4.034 -3.320 1.00 0.00 C ATOM 851 C GLU A 56 -9.248 4.400 -3.418 1.00 0.00 C ATOM 852 O GLU A 56 -8.898 5.579 -3.476 1.00 0.00 O ATOM 853 CB GLU A 56 -11.221 4.321 -1.903 1.00 0.00 C ATOM 854 CG GLU A 56 -12.664 4.785 -1.840 1.00 0.00 C ATOM 855 CD GLU A 56 -13.641 3.630 -1.747 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.279 2.510 -2.166 1.00 0.00 O ATOM 857 OE2 GLU A 56 -14.767 3.844 -1.252 1.00 0.00 O ATOM 0 H GLU A 56 -11.372 2.076 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.275 4.642 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.113 3.419 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.585 5.083 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.795 5.438 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.891 5.378 -2.726 1.00 0.00 H new ATOM 864 N VAL A 57 -8.382 3.396 -3.435 1.00 0.00 N ATOM 865 CA VAL A 57 -6.955 3.645 -3.525 1.00 0.00 C ATOM 866 C VAL A 57 -6.516 3.783 -4.978 1.00 0.00 C ATOM 867 O VAL A 57 -5.529 4.457 -5.273 1.00 0.00 O ATOM 868 CB VAL A 57 -6.135 2.528 -2.839 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.256 1.211 -3.596 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.676 2.945 -2.702 1.00 0.00 C ATOM 0 H VAL A 57 -8.642 2.411 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.763 4.582 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.543 2.373 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.669 0.445 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.302 0.905 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.884 1.340 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.114 2.147 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.258 3.135 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.612 3.852 -2.100 1.00 0.00 H new ATOM 880 N PHE A 58 -7.249 3.130 -5.883 1.00 0.00 N ATOM 881 CA PHE A 58 -6.926 3.166 -7.313 1.00 0.00 C ATOM 882 C PHE A 58 -6.547 4.574 -7.777 1.00 0.00 C ATOM 883 O PHE A 58 -5.521 4.759 -8.426 1.00 0.00 O ATOM 884 CB PHE A 58 -8.104 2.669 -8.161 1.00 0.00 C ATOM 885 CG PHE A 58 -8.400 1.199 -8.065 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.839 0.405 -7.077 1.00 0.00 C ATOM 887 CD2 PHE A 58 -9.259 0.616 -8.982 1.00 0.00 C ATOM 888 CE1 PHE A 58 -8.134 -0.947 -7.011 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.556 -0.727 -8.921 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.995 -1.510 -7.937 1.00 0.00 C ATOM 0 H PHE A 58 -8.070 2.570 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.070 2.505 -7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.997 3.221 -7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.906 2.914 -9.204 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.167 0.843 -6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.702 1.224 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.693 -1.560 -6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.228 -1.166 -9.644 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.227 -2.564 -7.888 1.00 0.00 H new ATOM 900 N PRO A 59 -7.384 5.587 -7.474 1.00 0.00 N ATOM 901 CA PRO A 59 -7.130 6.974 -7.893 1.00 0.00 C ATOM 902 C PRO A 59 -5.840 7.554 -7.316 1.00 0.00 C ATOM 903 O PRO A 59 -5.134 8.302 -7.992 1.00 0.00 O ATOM 904 CB PRO A 59 -8.344 7.747 -7.361 1.00 0.00 C ATOM 905 CG PRO A 59 -9.388 6.713 -7.114 1.00 0.00 C ATOM 906 CD PRO A 59 -8.647 5.466 -6.726 1.00 0.00 C ATOM 0 HA PRO A 59 -7.002 7.038 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.098 8.285 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.687 8.488 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.068 7.026 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.992 6.547 -8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.476 5.416 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.196 4.567 -7.004 1.00 0.00 H new ATOM 914 N LEU A 60 -5.542 7.220 -6.068 1.00 0.00 N ATOM 915 CA LEU A 60 -4.340 7.726 -5.412 1.00 0.00 C ATOM 916 C LEU A 60 -3.085 7.049 -5.974 1.00 0.00 C ATOM 917 O LEU A 60 -2.094 7.715 -6.276 1.00 0.00 O ATOM 918 CB LEU A 60 -4.454 7.523 -3.890 1.00 0.00 C ATOM 919 CG LEU A 60 -3.133 7.399 -3.116 1.00 0.00 C ATOM 920 CD1 LEU A 60 -2.921 8.589 -2.195 1.00 0.00 C ATOM 921 CD2 LEU A 60 -3.108 6.102 -2.319 1.00 0.00 C ATOM 0 H LEU A 60 -6.112 6.603 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.249 8.794 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.016 8.360 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.042 6.623 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.318 7.385 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.978 8.472 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.893 9.505 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.740 8.644 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.166 6.027 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.937 6.094 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.203 5.255 -2.999 1.00 0.00 H new ATOM 933 N LEU A 61 -3.129 5.725 -6.090 1.00 0.00 N ATOM 934 CA LEU A 61 -1.985 4.959 -6.593 1.00 0.00 C ATOM 935 C LEU A 61 -1.641 5.307 -8.042 1.00 0.00 C ATOM 936 O LEU A 61 -0.573 4.934 -8.531 1.00 0.00 O ATOM 937 CB LEU A 61 -2.254 3.455 -6.496 1.00 0.00 C ATOM 938 CG LEU A 61 -3.663 3.013 -6.895 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.677 2.471 -8.315 1.00 0.00 C ATOM 940 CD2 LEU A 61 -4.183 1.972 -5.914 1.00 0.00 C ATOM 0 H LEU A 61 -3.941 5.158 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.136 5.229 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.535 2.933 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.068 3.135 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.322 3.881 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.689 2.163 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.344 3.247 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.008 1.614 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.187 1.665 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.522 1.105 -5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.213 2.400 -4.912 1.00 0.00 H new ATOM 952 N GLU A 62 -2.532 6.007 -8.734 1.00 0.00 N ATOM 953 CA GLU A 62 -2.287 6.369 -10.128 1.00 0.00 C ATOM 954 C GLU A 62 -1.890 7.838 -10.262 1.00 0.00 C ATOM 955 O GLU A 62 -1.468 8.276 -11.331 1.00 0.00 O ATOM 956 CB GLU A 62 -3.537 6.100 -10.971 1.00 0.00 C ATOM 957 CG GLU A 62 -4.745 6.910 -10.525 1.00 0.00 C ATOM 958 CD GLU A 62 -5.902 6.834 -11.506 1.00 0.00 C ATOM 959 OE1 GLU A 62 -5.841 7.515 -12.551 1.00 0.00 O ATOM 960 OE2 GLU A 62 -6.872 6.100 -11.222 1.00 0.00 O ATOM 0 H GLU A 62 -3.423 6.333 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.461 5.755 -10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.320 6.328 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.780 5.039 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.077 6.551 -9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.451 7.952 -10.398 1.00 0.00 H new ATOM 967 N SER A 63 -2.025 8.595 -9.177 1.00 0.00 N ATOM 968 CA SER A 63 -1.674 10.010 -9.196 1.00 0.00 C ATOM 969 C SER A 63 -0.323 10.251 -8.527 1.00 0.00 C ATOM 970 O SER A 63 -0.143 9.957 -7.345 1.00 0.00 O ATOM 971 CB SER A 63 -2.753 10.837 -8.493 1.00 0.00 C ATOM 972 OG SER A 63 -3.174 11.925 -9.298 1.00 0.00 O ATOM 0 H SER A 63 -2.372 8.255 -8.280 1.00 0.00 H new ATOM 0 HA SER A 63 -1.604 10.322 -10.238 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.608 10.202 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.367 11.211 -7.545 1.00 0.00 H new ATOM 0 HG SER A 63 -3.864 12.434 -8.824 1.00 0.00 H new ATOM 978 N ASP A 64 0.621 10.786 -9.294 1.00 0.00 N ATOM 979 CA ASP A 64 1.959 11.066 -8.782 1.00 0.00 C ATOM 980 C ASP A 64 1.911 12.026 -7.594 1.00 0.00 C ATOM 981 O ASP A 64 2.605 11.829 -6.598 1.00 0.00 O ATOM 982 CB ASP A 64 2.835 11.661 -9.887 1.00 0.00 C ATOM 983 CG ASP A 64 3.426 10.603 -10.798 1.00 0.00 C ATOM 984 OD1 ASP A 64 2.757 9.572 -11.022 1.00 0.00 O ATOM 985 OD2 ASP A 64 4.557 10.806 -11.287 1.00 0.00 O ATOM 0 H ASP A 64 0.485 11.035 -10.274 1.00 0.00 H new ATOM 0 HA ASP A 64 2.388 10.123 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.241 12.356 -10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.642 12.237 -9.435 1.00 0.00 H new ATOM 990 N GLU A 65 1.094 13.070 -7.711 1.00 0.00 N ATOM 991 CA GLU A 65 0.965 14.062 -6.646 1.00 0.00 C ATOM 992 C GLU A 65 0.233 13.487 -5.441 1.00 0.00 C ATOM 993 O GLU A 65 0.677 13.640 -4.303 1.00 0.00 O ATOM 994 CB GLU A 65 0.236 15.307 -7.157 1.00 0.00 C ATOM 995 CG GLU A 65 0.971 16.602 -6.849 1.00 0.00 C ATOM 996 CD GLU A 65 0.158 17.551 -5.990 1.00 0.00 C ATOM 997 OE1 GLU A 65 -1.009 17.820 -6.341 1.00 0.00 O ATOM 998 OE2 GLU A 65 0.692 18.027 -4.965 1.00 0.00 O ATOM 0 H GLU A 65 0.513 13.251 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 65 1.970 14.343 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.099 15.223 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.758 15.346 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.907 16.371 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.231 17.098 -7.784 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.886 12.819 -5.691 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.667 12.221 -4.615 1.00 0.00 C ATOM 1007 C LEU A 66 -0.827 11.204 -3.848 1.00 0.00 C ATOM 1008 O LEU A 66 -1.078 10.936 -2.674 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.927 11.560 -5.183 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.236 11.935 -4.490 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.333 11.254 -3.136 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.361 13.449 -4.352 1.00 0.00 C ATOM 0 H LEU A 66 -1.272 12.678 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.968 13.007 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.008 11.819 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.805 10.478 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.065 11.587 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.271 11.532 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.300 10.173 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.498 11.568 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.300 13.693 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.529 13.830 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.343 13.907 -5.341 1.00 0.00 H new ATOM 1024 N PHE A 67 0.179 10.651 -4.520 1.00 0.00 N ATOM 1025 CA PHE A 67 1.060 9.677 -3.894 1.00 0.00 C ATOM 1026 C PHE A 67 2.116 10.366 -3.045 1.00 0.00 C ATOM 1027 O PHE A 67 2.259 10.075 -1.863 1.00 0.00 O ATOM 1028 CB PHE A 67 1.749 8.806 -4.942 1.00 0.00 C ATOM 1029 CG PHE A 67 2.122 7.452 -4.417 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.141 6.577 -3.988 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.451 7.051 -4.340 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.474 5.333 -3.497 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.783 5.804 -3.847 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.790 4.945 -3.426 1.00 0.00 C ATOM 0 H PHE A 67 0.402 10.861 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 67 0.442 9.045 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.089 8.688 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.646 9.313 -5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.103 6.871 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.232 7.721 -4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.697 4.660 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.819 5.502 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.046 3.969 -3.041 1.00 0.00 H new ATOM 1044 N GLU A 68 2.856 11.284 -3.660 1.00 0.00 N ATOM 1045 CA GLU A 68 3.909 12.019 -2.968 1.00 0.00 C ATOM 1046 C GLU A 68 3.466 12.473 -1.580 1.00 0.00 C ATOM 1047 O GLU A 68 4.185 12.283 -0.603 1.00 0.00 O ATOM 1048 CB GLU A 68 4.343 13.225 -3.801 1.00 0.00 C ATOM 1049 CG GLU A 68 5.460 12.909 -4.782 1.00 0.00 C ATOM 1050 CD GLU A 68 6.741 13.655 -4.466 1.00 0.00 C ATOM 1051 OE1 GLU A 68 7.452 13.240 -3.526 1.00 0.00 O ATOM 1052 OE2 GLU A 68 7.033 14.653 -5.157 1.00 0.00 O ATOM 0 H GLU A 68 2.744 11.537 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 68 4.754 11.343 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.483 13.606 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.671 14.021 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.656 11.837 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.135 13.163 -5.791 1.00 0.00 H new ATOM 1059 N GLN A 69 2.281 13.074 -1.502 1.00 0.00 N ATOM 1060 CA GLN A 69 1.740 13.560 -0.231 1.00 0.00 C ATOM 1061 C GLN A 69 1.617 12.429 0.788 1.00 0.00 C ATOM 1062 O GLN A 69 2.245 12.459 1.847 1.00 0.00 O ATOM 1063 CB GLN A 69 0.369 14.204 -0.455 1.00 0.00 C ATOM 1064 CG GLN A 69 0.087 15.383 0.463 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.778 15.004 1.651 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -1.890 14.503 1.486 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -0.273 15.246 2.857 1.00 0.00 N ATOM 0 H GLN A 69 1.674 13.237 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 69 2.432 14.304 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.299 14.537 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.404 13.450 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.031 15.793 0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.408 16.171 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.654 15.663 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.812 15.015 3.691 1.00 0.00 H new ATOM 1076 N HIS A 70 0.790 11.443 0.465 1.00 0.00 N ATOM 1077 CA HIS A 70 0.575 10.314 1.364 1.00 0.00 C ATOM 1078 C HIS A 70 1.878 9.553 1.570 1.00 0.00 C ATOM 1079 O HIS A 70 2.281 9.289 2.702 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.502 9.382 0.806 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.842 9.578 1.442 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.103 9.255 2.756 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -3.002 10.065 0.940 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.361 9.535 3.038 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.929 10.029 1.953 1.00 0.00 N ATOM 0 H HIS A 70 0.260 11.401 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 70 0.235 10.696 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.591 9.543 -0.268 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.188 8.348 0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.167 10.416 -0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.844 9.386 3.993 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.899 10.334 1.879 1.00 0.00 H new ATOM 1093 N TYR A 71 2.542 9.223 0.472 1.00 0.00 N ATOM 1094 CA TYR A 71 3.814 8.515 0.528 1.00 0.00 C ATOM 1095 C TYR A 71 4.897 9.396 1.164 1.00 0.00 C ATOM 1096 O TYR A 71 5.980 8.915 1.497 1.00 0.00 O ATOM 1097 CB TYR A 71 4.215 8.058 -0.886 1.00 0.00 C ATOM 1098 CG TYR A 71 5.704 7.911 -1.114 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.368 6.733 -0.797 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.444 8.952 -1.657 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.726 6.598 -1.010 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.803 8.826 -1.876 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.440 7.646 -1.549 1.00 0.00 C ATOM 1104 OH TYR A 71 9.793 7.515 -1.763 1.00 0.00 O ATOM 0 H TYR A 71 2.220 9.435 -0.472 1.00 0.00 H new ATOM 0 HA TYR A 71 3.706 7.631 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.735 7.101 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.821 8.774 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.813 5.908 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.949 9.877 -1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.226 5.675 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.363 9.646 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 71 10.145 8.344 -2.149 1.00 0.00 H new ATOM 1114 N LYS A 72 4.591 10.684 1.349 1.00 0.00 N ATOM 1115 CA LYS A 72 5.535 11.615 1.964 1.00 0.00 C ATOM 1116 C LYS A 72 5.834 11.195 3.395 1.00 0.00 C ATOM 1117 O LYS A 72 6.962 10.833 3.728 1.00 0.00 O ATOM 1118 CB LYS A 72 4.976 13.041 1.965 1.00 0.00 C ATOM 1119 CG LYS A 72 6.045 14.110 1.797 1.00 0.00 C ATOM 1120 CD LYS A 72 5.798 15.297 2.718 1.00 0.00 C ATOM 1121 CE LYS A 72 5.442 16.553 1.936 1.00 0.00 C ATOM 1122 NZ LYS A 72 6.479 17.612 2.086 1.00 0.00 N ATOM 0 H LYS A 72 3.700 11.102 1.082 1.00 0.00 H new ATOM 0 HA LYS A 72 6.453 11.595 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.247 13.138 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.444 13.214 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.025 13.682 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.062 14.449 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.990 15.058 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.688 15.483 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.327 16.304 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.481 16.935 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.200 18.451 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.571 17.868 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.391 17.257 1.734 1.00 0.00 H new ATOM 1136 N GLU A 73 4.805 11.243 4.240 1.00 0.00 N ATOM 1137 CA GLU A 73 4.945 10.866 5.643 1.00 0.00 C ATOM 1138 C GLU A 73 5.583 9.490 5.762 1.00 0.00 C ATOM 1139 O GLU A 73 6.473 9.272 6.583 1.00 0.00 O ATOM 1140 CB GLU A 73 3.576 10.855 6.329 1.00 0.00 C ATOM 1141 CG GLU A 73 3.035 12.237 6.654 1.00 0.00 C ATOM 1142 CD GLU A 73 2.144 12.241 7.882 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.008 11.730 7.791 1.00 0.00 O ATOM 1144 OE2 GLU A 73 2.582 12.752 8.934 1.00 0.00 O ATOM 0 H GLU A 73 3.865 11.540 3.976 1.00 0.00 H new ATOM 0 HA GLU A 73 5.586 11.600 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.863 10.339 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.648 10.278 7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.868 12.921 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.472 12.613 5.800 1.00 0.00 H new ATOM 1151 N ALA A 74 5.126 8.569 4.926 1.00 0.00 N ATOM 1152 CA ALA A 74 5.655 7.215 4.924 1.00 0.00 C ATOM 1153 C ALA A 74 7.097 7.199 4.435 1.00 0.00 C ATOM 1154 O ALA A 74 7.885 6.338 4.827 1.00 0.00 O ATOM 1155 CB ALA A 74 4.792 6.314 4.057 1.00 0.00 C ATOM 0 H ALA A 74 4.390 8.736 4.240 1.00 0.00 H new ATOM 0 HA ALA A 74 5.638 6.838 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.199 5.303 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.775 6.298 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.782 6.694 3.035 1.00 0.00 H new ATOM 1161 N SER A 75 7.442 8.156 3.577 1.00 0.00 N ATOM 1162 CA SER A 75 8.796 8.242 3.045 1.00 0.00 C ATOM 1163 C SER A 75 9.797 8.409 4.182 1.00 0.00 C ATOM 1164 O SER A 75 10.747 7.643 4.302 1.00 0.00 O ATOM 1165 CB SER A 75 8.919 9.403 2.057 1.00 0.00 C ATOM 1166 OG SER A 75 10.183 9.400 1.420 1.00 0.00 O ATOM 0 H SER A 75 6.806 8.878 3.238 1.00 0.00 H new ATOM 0 HA SER A 75 9.015 7.316 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.131 9.332 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.775 10.348 2.582 1.00 0.00 H new ATOM 0 HG SER A 75 10.235 10.151 0.793 1.00 0.00 H new ATOM 1172 N ALA A 76 9.578 9.415 5.019 1.00 0.00 N ATOM 1173 CA ALA A 76 10.464 9.662 6.153 1.00 0.00 C ATOM 1174 C ALA A 76 10.682 8.378 6.952 1.00 0.00 C ATOM 1175 O ALA A 76 11.758 8.150 7.500 1.00 0.00 O ATOM 1176 CB ALA A 76 9.899 10.757 7.045 1.00 0.00 C ATOM 0 H ALA A 76 8.800 10.070 4.937 1.00 0.00 H new ATOM 0 HA ALA A 76 11.428 9.996 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.573 10.927 7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.796 11.678 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.922 10.453 7.420 1.00 0.00 H new ATOM 1182 N ALA A 77 9.657 7.529 6.991 1.00 0.00 N ATOM 1183 CA ALA A 77 9.748 6.251 7.696 1.00 0.00 C ATOM 1184 C ALA A 77 10.503 5.230 6.848 1.00 0.00 C ATOM 1185 O ALA A 77 11.000 4.222 7.350 1.00 0.00 O ATOM 1186 CB ALA A 77 8.360 5.733 8.036 1.00 0.00 C ATOM 0 H ALA A 77 8.756 7.702 6.544 1.00 0.00 H new ATOM 0 HA ALA A 77 10.297 6.406 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.445 4.781 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.849 6.454 8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.789 5.592 7.118 1.00 0.00 H new ATOM 1192 N TYR A 78 10.596 5.527 5.558 1.00 0.00 N ATOM 1193 CA TYR A 78 11.298 4.685 4.603 1.00 0.00 C ATOM 1194 C TYR A 78 12.786 4.665 4.937 1.00 0.00 C ATOM 1195 O TYR A 78 13.411 3.608 5.008 1.00 0.00 O ATOM 1196 CB TYR A 78 11.080 5.247 3.188 1.00 0.00 C ATOM 1197 CG TYR A 78 11.442 4.316 2.048 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.367 3.294 2.208 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.860 4.478 0.795 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.700 2.463 1.161 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.191 3.651 -0.261 1.00 0.00 C ATOM 1202 CZ TYR A 78 12.113 2.646 -0.071 1.00 0.00 C ATOM 1203 OH TYR A 78 12.453 1.823 -1.117 1.00 0.00 O ATOM 0 H TYR A 78 10.184 6.363 5.145 1.00 0.00 H new ATOM 0 HA TYR A 78 10.914 3.666 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.031 5.526 3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.665 6.161 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.834 3.147 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.136 5.265 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.419 1.670 1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.730 3.792 -1.228 1.00 0.00 H new ATOM 0 HH TYR A 78 11.949 2.084 -1.916 1.00 0.00 H new ATOM 1213 N GLU A 79 13.342 5.852 5.138 1.00 0.00 N ATOM 1214 CA GLU A 79 14.758 6.000 5.453 1.00 0.00 C ATOM 1215 C GLU A 79 15.094 5.469 6.848 1.00 0.00 C ATOM 1216 O GLU A 79 16.090 4.770 7.029 1.00 0.00 O ATOM 1217 CB GLU A 79 15.159 7.474 5.333 1.00 0.00 C ATOM 1218 CG GLU A 79 14.657 8.341 6.475 1.00 0.00 C ATOM 1219 CD GLU A 79 15.078 9.790 6.337 1.00 0.00 C ATOM 1220 OE1 GLU A 79 16.283 10.039 6.123 1.00 0.00 O ATOM 1221 OE2 GLU A 79 14.204 10.675 6.443 1.00 0.00 O ATOM 0 H GLU A 79 12.830 6.733 5.088 1.00 0.00 H new ATOM 0 HA GLU A 79 15.326 5.405 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.246 7.543 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.775 7.870 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.569 8.285 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.033 7.946 7.419 1.00 0.00 H new ATOM 1228 N SER A 80 14.269 5.811 7.830 1.00 0.00 N ATOM 1229 CA SER A 80 14.495 5.377 9.203 1.00 0.00 C ATOM 1230 C SER A 80 14.540 3.855 9.306 1.00 0.00 C ATOM 1231 O SER A 80 15.473 3.289 9.875 1.00 0.00 O ATOM 1232 CB SER A 80 13.399 5.926 10.115 1.00 0.00 C ATOM 1233 OG SER A 80 13.339 7.340 10.046 1.00 0.00 O ATOM 0 H SER A 80 13.437 6.388 7.701 1.00 0.00 H new ATOM 0 HA SER A 80 15.462 5.767 9.521 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.436 5.504 9.827 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.588 5.617 11.143 1.00 0.00 H new ATOM 0 HG SER A 80 12.857 7.608 9.236 1.00 0.00 H new ATOM 1239 N PHE A 81 13.525 3.202 8.758 1.00 0.00 N ATOM 1240 CA PHE A 81 13.443 1.749 8.790 1.00 0.00 C ATOM 1241 C PHE A 81 14.540 1.114 7.936 1.00 0.00 C ATOM 1242 O PHE A 81 15.230 0.197 8.378 1.00 0.00 O ATOM 1243 CB PHE A 81 12.066 1.297 8.306 1.00 0.00 C ATOM 1244 CG PHE A 81 11.286 0.509 9.321 1.00 0.00 C ATOM 1245 CD1 PHE A 81 11.771 -0.694 9.804 1.00 0.00 C ATOM 1246 CD2 PHE A 81 10.062 0.967 9.784 1.00 0.00 C ATOM 1247 CE1 PHE A 81 11.052 -1.427 10.729 1.00 0.00 C ATOM 1248 CE2 PHE A 81 9.337 0.238 10.708 1.00 0.00 C ATOM 1249 CZ PHE A 81 9.834 -0.961 11.182 1.00 0.00 C ATOM 0 H PHE A 81 12.745 3.657 8.285 1.00 0.00 H new ATOM 0 HA PHE A 81 13.589 1.420 9.819 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.487 2.175 8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.189 0.691 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.723 -1.064 9.454 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.670 1.905 9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.443 -2.364 11.097 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.384 0.605 11.059 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.271 -1.532 11.905 1.00 0.00 H new ATOM 1259 N LYS A 82 14.691 1.606 6.710 1.00 0.00 N ATOM 1260 CA LYS A 82 15.702 1.081 5.797 1.00 0.00 C ATOM 1261 C LYS A 82 17.109 1.282 6.355 1.00 0.00 C ATOM 1262 O LYS A 82 17.963 0.405 6.241 1.00 0.00 O ATOM 1263 CB LYS A 82 15.586 1.753 4.435 1.00 0.00 C ATOM 1264 CG LYS A 82 14.505 1.149 3.557 1.00 0.00 C ATOM 1265 CD LYS A 82 14.816 -0.298 3.191 1.00 0.00 C ATOM 1266 CE LYS A 82 13.839 -1.274 3.836 1.00 0.00 C ATOM 1267 NZ LYS A 82 14.515 -2.526 4.275 1.00 0.00 N ATOM 0 H LYS A 82 14.128 2.365 6.326 1.00 0.00 H new ATOM 0 HA LYS A 82 15.527 0.011 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.378 2.813 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.544 1.682 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.547 1.195 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.403 1.740 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.781 -0.413 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.831 -0.541 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.363 -0.798 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.048 -1.518 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.143 -2.815 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.336 -3.279 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.539 -2.360 4.350 1.00 0.00 H new ATOM 1281 N LYS A 83 17.344 2.448 6.951 1.00 0.00 N ATOM 1282 CA LYS A 83 18.649 2.769 7.521 1.00 0.00 C ATOM 1283 C LYS A 83 18.889 2.009 8.819 1.00 0.00 C ATOM 1284 O LYS A 83 19.990 1.515 9.065 1.00 0.00 O ATOM 1285 CB LYS A 83 18.758 4.269 7.779 1.00 0.00 C ATOM 1286 CG LYS A 83 18.874 5.091 6.508 1.00 0.00 C ATOM 1287 CD LYS A 83 20.091 5.999 6.536 1.00 0.00 C ATOM 1288 CE LYS A 83 19.939 7.159 5.567 1.00 0.00 C ATOM 1289 NZ LYS A 83 20.065 8.477 6.248 1.00 0.00 N ATOM 0 H LYS A 83 16.647 3.186 7.052 1.00 0.00 H new ATOM 0 HA LYS A 83 19.409 2.467 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.882 4.599 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.628 4.460 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.937 4.424 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.974 5.692 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.237 6.383 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.982 5.424 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.696 7.081 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.968 7.096 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.955 9.240 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.327 8.564 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.001 8.549 6.695 1.00 0.00 H new ATOM 1303 N GLU A 84 17.853 1.918 9.648 1.00 0.00 N ATOM 1304 CA GLU A 84 17.955 1.218 10.923 1.00 0.00 C ATOM 1305 C GLU A 84 17.755 -0.287 10.748 1.00 0.00 C ATOM 1306 O GLU A 84 17.455 -0.997 11.708 1.00 0.00 O ATOM 1307 CB GLU A 84 16.928 1.770 11.915 1.00 0.00 C ATOM 1308 CG GLU A 84 17.277 1.493 13.370 1.00 0.00 C ATOM 1309 CD GLU A 84 16.143 1.831 14.319 1.00 0.00 C ATOM 1310 OE1 GLU A 84 15.210 1.012 14.447 1.00 0.00 O ATOM 1311 OE2 GLU A 84 16.191 2.914 14.941 1.00 0.00 O ATOM 0 H GLU A 84 16.935 2.320 9.459 1.00 0.00 H new ATOM 0 HA GLU A 84 18.958 1.384 11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.838 2.847 11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.953 1.336 11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.538 0.441 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.159 2.071 13.644 1.00 0.00 H new ATOM 1318 N GLN A 85 17.931 -0.771 9.521 1.00 0.00 N ATOM 1319 CA GLN A 85 17.778 -2.188 9.236 1.00 0.00 C ATOM 1320 C GLN A 85 19.000 -2.954 9.722 1.00 0.00 C ATOM 1321 O GLN A 85 19.777 -3.484 8.926 1.00 0.00 O ATOM 1322 CB GLN A 85 17.575 -2.411 7.735 1.00 0.00 C ATOM 1323 CG GLN A 85 16.157 -2.812 7.363 1.00 0.00 C ATOM 1324 CD GLN A 85 15.663 -4.011 8.149 1.00 0.00 C ATOM 1325 OE1 GLN A 85 15.055 -3.867 9.210 1.00 0.00 O ATOM 1326 NE2 GLN A 85 15.923 -5.207 7.630 1.00 0.00 N ATOM 0 H GLN A 85 18.179 -0.201 8.712 1.00 0.00 H new ATOM 0 HA GLN A 85 16.899 -2.558 9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.836 -1.497 7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 85 18.263 -3.185 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.488 -1.969 7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.115 -3.039 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.430 -5.281 6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.616 -6.051 8.114 1.00 0.00 H new ATOM 1335 N GLU A 86 19.167 -3.007 11.038 1.00 0.00 N ATOM 1336 CA GLU A 86 20.296 -3.706 11.637 1.00 0.00 C ATOM 1337 C GLU A 86 20.005 -5.199 11.778 1.00 0.00 C ATOM 1338 O GLU A 86 20.593 -5.879 12.619 1.00 0.00 O ATOM 1339 CB GLU A 86 20.625 -3.107 13.006 1.00 0.00 C ATOM 1340 CG GLU A 86 19.447 -3.102 13.967 1.00 0.00 C ATOM 1341 CD GLU A 86 19.681 -3.982 15.177 1.00 0.00 C ATOM 1342 OE1 GLU A 86 20.853 -4.137 15.580 1.00 0.00 O ATOM 1343 OE2 GLU A 86 18.694 -4.520 15.719 1.00 0.00 O ATOM 0 H GLU A 86 18.534 -2.574 11.711 1.00 0.00 H new ATOM 0 HA GLU A 86 21.155 -3.585 10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.445 -3.670 13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.977 -2.084 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.255 -2.081 14.296 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.553 -3.441 13.443 1.00 0.00 H new ATOM 1350 N GLN A 87 19.098 -5.707 10.946 1.00 0.00 N ATOM 1351 CA GLN A 87 18.734 -7.114 10.974 1.00 0.00 C ATOM 1352 C GLN A 87 19.635 -7.923 10.047 1.00 0.00 C ATOM 1353 O GLN A 87 20.015 -9.051 10.363 1.00 0.00 O ATOM 1354 CB GLN A 87 17.272 -7.284 10.561 1.00 0.00 C ATOM 1355 CG GLN A 87 16.540 -8.356 11.347 1.00 0.00 C ATOM 1356 CD GLN A 87 16.260 -9.596 10.522 1.00 0.00 C ATOM 1357 OE1 GLN A 87 16.831 -10.658 10.763 1.00 0.00 O ATOM 1358 NE2 GLN A 87 15.377 -9.464 9.538 1.00 0.00 N ATOM 0 H GLN A 87 18.602 -5.159 10.243 1.00 0.00 H new ATOM 0 HA GLN A 87 18.864 -7.484 11.991 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.754 -6.334 10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 87 17.229 -7.530 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.134 -8.631 12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.598 -7.950 11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.927 -8.563 9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.149 -10.263 8.947 1.00 0.00 H new ATOM 1367 N GLN A 88 19.974 -7.336 8.903 1.00 0.00 N ATOM 1368 CA GLN A 88 20.834 -7.999 7.928 1.00 0.00 C ATOM 1369 C GLN A 88 22.273 -8.063 8.431 1.00 0.00 C ATOM 1370 O GLN A 88 22.642 -7.361 9.372 1.00 0.00 O ATOM 1371 CB GLN A 88 20.786 -7.264 6.584 1.00 0.00 C ATOM 1372 CG GLN A 88 21.315 -5.839 6.649 1.00 0.00 C ATOM 1373 CD GLN A 88 20.629 -4.918 5.657 1.00 0.00 C ATOM 1374 OE1 GLN A 88 19.890 -5.370 4.783 1.00 0.00 O ATOM 1375 NE2 GLN A 88 20.870 -3.618 5.790 1.00 0.00 N ATOM 0 H GLN A 88 19.667 -6.403 8.628 1.00 0.00 H new ATOM 0 HA GLN A 88 20.466 -9.016 7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 88 21.367 -7.825 5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.756 -7.244 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 88 21.176 -5.449 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 88 22.387 -5.844 6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 88 21.490 -3.287 6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.435 -2.951 5.153 1.00 0.00 H new ATOM 1384 N THR A 89 23.080 -8.907 7.801 1.00 0.00 N ATOM 1385 CA THR A 89 24.479 -9.061 8.189 1.00 0.00 C ATOM 1386 C THR A 89 25.405 -8.427 7.153 1.00 0.00 C ATOM 1387 O THR A 89 25.770 -9.062 6.164 1.00 0.00 O ATOM 1388 CB THR A 89 24.816 -10.544 8.358 1.00 0.00 C ATOM 1389 OG1 THR A 89 23.872 -11.178 9.201 1.00 0.00 O ATOM 1390 CG2 THR A 89 26.191 -10.787 8.944 1.00 0.00 C ATOM 0 H THR A 89 22.792 -9.496 7.020 1.00 0.00 H new ATOM 0 HA THR A 89 24.629 -8.549 9.140 1.00 0.00 H new ATOM 0 HB THR A 89 24.792 -10.961 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 89 24.103 -12.126 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 89 26.363 -11.859 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 89 26.947 -10.353 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 89 26.254 -10.324 9.929 1.00 0.00 H new ATOM 1398 N GLU A 90 25.782 -7.175 7.390 1.00 0.00 N ATOM 1399 CA GLU A 90 26.669 -6.459 6.479 1.00 0.00 C ATOM 1400 C GLU A 90 28.124 -6.822 6.751 1.00 0.00 C ATOM 1401 O GLU A 90 28.547 -6.898 7.905 1.00 0.00 O ATOM 1402 CB GLU A 90 26.465 -4.950 6.617 1.00 0.00 C ATOM 1403 CG GLU A 90 25.818 -4.311 5.399 1.00 0.00 C ATOM 1404 CD GLU A 90 24.676 -3.384 5.768 1.00 0.00 C ATOM 1405 OE1 GLU A 90 24.901 -2.458 6.574 1.00 0.00 O ATOM 1406 OE2 GLU A 90 23.558 -3.585 5.251 1.00 0.00 O ATOM 0 H GLU A 90 25.488 -6.635 8.204 1.00 0.00 H new ATOM 0 HA GLU A 90 26.425 -6.754 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 90 25.846 -4.754 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 90 27.430 -4.476 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 90 26.571 -3.752 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 90 25.447 -5.093 4.736 1.00 0.00 H new ATOM 1413 N GLN A 91 28.884 -7.051 5.685 1.00 0.00 N ATOM 1414 CA GLN A 91 30.289 -7.413 5.819 1.00 0.00 C ATOM 1415 C GLN A 91 31.162 -6.184 6.067 1.00 0.00 C ATOM 1416 O GLN A 91 32.080 -6.223 6.886 1.00 0.00 O ATOM 1417 CB GLN A 91 30.769 -8.175 4.575 1.00 0.00 C ATOM 1418 CG GLN A 91 30.621 -7.403 3.271 1.00 0.00 C ATOM 1419 CD GLN A 91 31.719 -7.724 2.274 1.00 0.00 C ATOM 1420 OE1 GLN A 91 32.363 -8.771 2.358 1.00 0.00 O ATOM 1421 NE2 GLN A 91 31.942 -6.821 1.325 1.00 0.00 N ATOM 0 H GLN A 91 28.551 -6.992 4.723 1.00 0.00 H new ATOM 0 HA GLN A 91 30.383 -8.066 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 91 31.817 -8.442 4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 91 30.210 -9.108 4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 91 29.653 -7.632 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 91 30.629 -6.334 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 91 31.385 -5.967 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 91 32.670 -6.982 0.629 1.00 0.00 H new ATOM 1430 N ALA A 92 30.876 -5.093 5.364 1.00 0.00 N ATOM 1431 CA ALA A 92 31.643 -3.863 5.525 1.00 0.00 C ATOM 1432 C ALA A 92 30.888 -2.846 6.376 1.00 0.00 C ATOM 1433 O ALA A 92 29.824 -2.373 5.926 1.00 0.00 O ATOM 1434 CB ALA A 92 31.993 -3.274 4.166 1.00 0.00 C ATOM 1435 OXT ALA A 92 31.368 -2.532 7.485 1.00 0.00 O ATOM 0 H ALA A 92 30.122 -5.035 4.680 1.00 0.00 H new ATOM 0 HA ALA A 92 32.568 -4.109 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 92 32.565 -2.357 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 92 32.588 -3.991 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 92 31.077 -3.052 3.619 1.00 0.00 H new TER 1441 ALA A 92