USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 857 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 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 SER OG : rot -140:sc= 0 USER MOD Set 2.1: A 76 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 157:sc= -0.0289 (180deg=-1.11) USER MOD Set 3.1: A 47 GLN :FLIP amide:sc= -0.0129 F(o=-0.62,f=-0.013) USER MOD Set 3.2: A 59 GLN : amide:sc= 0 X(o=-0.013,f=-0.013) USER MOD Set 3.3: A 63 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 6 SER OG : rot 48:sc= 1.22 USER MOD Set 4.2: A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.223 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 35:sc= 0.187 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 23 MET CE :methyl -166:sc= 0 (180deg=-0.0218) USER MOD Single : A 24 SER OG : rot 70:sc= 0.572 USER MOD Single : A 29 THR OG1 : rot 167:sc= 0.54 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -14:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0.00858 (180deg=0.0015) USER MOD Single : A 37 LYS NZ :NH3+ -107:sc= 1.27 (180deg=-0.511) USER MOD Single : A 41 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 43 ASN : amide:sc= -0.59! C(o=-0.59!,f=-2!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -92:sc= 0.943 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -172:sc= -0.316 (180deg=-0.536) USER MOD Single : A 87 GLN : amide:sc= -0.61 K(o=-0.61,f=-2.8!) USER MOD Single : A 91 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.981 K(o=0.98,f=-3.4!) USER MOD Single : A 95 ASN : amide:sc= -0.612 K(o=-0.61,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 154:sc= 0 (180deg=-0.57) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 100:sc= 0.195 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.775 1.736 -49.314 1.00 0.00 N ATOM 2 CA GLY A 1 -8.563 2.184 -47.925 1.00 0.00 C ATOM 3 C GLY A 1 -9.575 1.505 -47.018 1.00 0.00 C ATOM 4 O GLY A 1 -10.409 0.759 -47.521 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.907 1.288 -49.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.555 1.049 -49.342 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.013 2.554 -49.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.550 1.942 -47.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.668 3.267 -47.860 1.00 0.00 H new ATOM 8 N SER A 2 -9.511 1.759 -45.714 1.00 0.00 N ATOM 9 CA SER A 2 -10.558 1.434 -44.756 1.00 0.00 C ATOM 10 C SER A 2 -10.474 2.497 -43.656 1.00 0.00 C ATOM 11 O SER A 2 -9.477 3.224 -43.589 1.00 0.00 O ATOM 12 CB SER A 2 -10.354 0.011 -44.217 1.00 0.00 C ATOM 13 OG SER A 2 -11.505 -0.414 -43.520 1.00 0.00 O ATOM 0 H SER A 2 -8.704 2.210 -45.284 1.00 0.00 H new ATOM 0 HA SER A 2 -11.551 1.445 -45.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.146 -0.672 -45.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.488 -0.015 -43.555 1.00 0.00 H new ATOM 0 HG SER A 2 -11.366 -1.323 -43.182 1.00 0.00 H new ATOM 19 N SER A 3 -11.501 2.597 -42.818 1.00 0.00 N ATOM 20 CA SER A 3 -11.619 3.598 -41.769 1.00 0.00 C ATOM 21 C SER A 3 -12.758 3.178 -40.844 1.00 0.00 C ATOM 22 O SER A 3 -13.753 2.635 -41.325 1.00 0.00 O ATOM 23 CB SER A 3 -11.921 4.967 -42.406 1.00 0.00 C ATOM 24 OG SER A 3 -12.893 4.868 -43.436 1.00 0.00 O ATOM 0 H SER A 3 -12.298 1.962 -42.853 1.00 0.00 H new ATOM 0 HA SER A 3 -10.693 3.678 -41.200 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.275 5.655 -41.638 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.002 5.389 -42.813 1.00 0.00 H new ATOM 0 HG SER A 3 -13.060 5.756 -43.815 1.00 0.00 H new ATOM 30 N GLY A 4 -12.653 3.475 -39.552 1.00 0.00 N ATOM 31 CA GLY A 4 -13.699 3.252 -38.572 1.00 0.00 C ATOM 32 C GLY A 4 -13.144 3.554 -37.187 1.00 0.00 C ATOM 33 O GLY A 4 -11.934 3.740 -37.033 1.00 0.00 O ATOM 0 H GLY A 4 -11.811 3.889 -39.151 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.557 3.891 -38.783 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.050 2.221 -38.622 1.00 0.00 H new ATOM 37 N SER A 5 -14.017 3.595 -36.188 1.00 0.00 N ATOM 38 CA SER A 5 -13.672 3.878 -34.805 1.00 0.00 C ATOM 39 C SER A 5 -14.728 3.238 -33.905 1.00 0.00 C ATOM 40 O SER A 5 -15.867 3.025 -34.328 1.00 0.00 O ATOM 41 CB SER A 5 -13.586 5.400 -34.592 1.00 0.00 C ATOM 42 OG SER A 5 -14.500 6.133 -35.396 1.00 0.00 O ATOM 0 H SER A 5 -15.014 3.427 -36.325 1.00 0.00 H new ATOM 0 HA SER A 5 -12.697 3.459 -34.555 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.776 5.624 -33.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.572 5.734 -34.811 1.00 0.00 H new ATOM 0 HG SER A 5 -14.399 7.091 -35.215 1.00 0.00 H new ATOM 48 N SER A 6 -14.349 2.911 -32.671 1.00 0.00 N ATOM 49 CA SER A 6 -15.189 2.475 -31.563 1.00 0.00 C ATOM 50 C SER A 6 -14.281 2.387 -30.335 1.00 0.00 C ATOM 51 O SER A 6 -13.056 2.338 -30.467 1.00 0.00 O ATOM 52 CB SER A 6 -15.795 1.087 -31.835 1.00 0.00 C ATOM 53 OG SER A 6 -16.877 1.159 -32.740 1.00 0.00 O ATOM 0 H SER A 6 -13.366 2.948 -32.401 1.00 0.00 H new ATOM 0 HA SER A 6 -16.012 3.175 -31.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.027 0.427 -32.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.134 0.647 -30.897 1.00 0.00 H new ATOM 0 HG SER A 6 -16.621 1.703 -33.514 1.00 0.00 H new ATOM 59 N GLY A 7 -14.879 2.288 -29.152 1.00 0.00 N ATOM 60 CA GLY A 7 -14.209 1.852 -27.945 1.00 0.00 C ATOM 61 C GLY A 7 -15.208 1.040 -27.133 1.00 0.00 C ATOM 62 O GLY A 7 -16.421 1.215 -27.289 1.00 0.00 O ATOM 0 H GLY A 7 -15.863 2.515 -29.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.334 1.250 -28.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.856 2.709 -27.372 1.00 0.00 H new ATOM 66 N TYR A 8 -14.708 0.157 -26.274 1.00 0.00 N ATOM 67 CA TYR A 8 -15.507 -0.733 -25.442 1.00 0.00 C ATOM 68 C TYR A 8 -14.888 -0.795 -24.046 1.00 0.00 C ATOM 69 O TYR A 8 -13.780 -0.293 -23.839 1.00 0.00 O ATOM 70 CB TYR A 8 -15.570 -2.134 -26.080 1.00 0.00 C ATOM 71 CG TYR A 8 -15.843 -2.157 -27.577 1.00 0.00 C ATOM 72 CD1 TYR A 8 -17.149 -1.969 -28.066 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.779 -2.331 -28.484 1.00 0.00 C ATOM 74 CE1 TYR A 8 -17.391 -1.926 -29.452 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.013 -2.304 -29.869 1.00 0.00 C ATOM 76 CZ TYR A 8 -16.320 -2.094 -30.359 1.00 0.00 C ATOM 77 OH TYR A 8 -16.524 -2.038 -31.703 1.00 0.00 O ATOM 0 H TYR A 8 -13.705 0.038 -26.134 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.526 -0.354 -25.362 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.625 -2.643 -25.892 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.347 -2.709 -25.577 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -17.970 -1.857 -27.374 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.777 -2.486 -28.112 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -18.393 -1.765 -29.822 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.193 -2.444 -30.558 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.673 -2.174 -32.169 1.00 0.00 H new ATOM 87 N SER A 9 -15.583 -1.405 -23.095 1.00 0.00 N ATOM 88 CA SER A 9 -15.034 -1.937 -21.853 1.00 0.00 C ATOM 89 C SER A 9 -15.847 -3.191 -21.511 1.00 0.00 C ATOM 90 O SER A 9 -16.764 -3.561 -22.252 1.00 0.00 O ATOM 91 CB SER A 9 -15.047 -0.875 -20.738 1.00 0.00 C ATOM 92 OG SER A 9 -13.847 -0.119 -20.771 1.00 0.00 O ATOM 0 H SER A 9 -16.590 -1.549 -23.171 1.00 0.00 H new ATOM 0 HA SER A 9 -13.984 -2.208 -21.963 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.905 -0.215 -20.864 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.155 -1.358 -19.767 1.00 0.00 H new ATOM 0 HG SER A 9 -13.558 -0.004 -21.700 1.00 0.00 H new ATOM 98 N GLY A 10 -15.485 -3.896 -20.443 1.00 0.00 N ATOM 99 CA GLY A 10 -16.080 -5.175 -20.100 1.00 0.00 C ATOM 100 C GLY A 10 -15.313 -5.751 -18.924 1.00 0.00 C ATOM 101 O GLY A 10 -15.058 -5.025 -17.957 1.00 0.00 O ATOM 0 H GLY A 10 -14.765 -3.590 -19.789 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.132 -5.049 -19.844 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.039 -5.855 -20.951 1.00 0.00 H new ATOM 105 N SER A 11 -14.942 -7.027 -19.031 1.00 0.00 N ATOM 106 CA SER A 11 -14.145 -7.773 -18.063 1.00 0.00 C ATOM 107 C SER A 11 -14.872 -7.958 -16.724 1.00 0.00 C ATOM 108 O SER A 11 -15.894 -7.327 -16.445 1.00 0.00 O ATOM 109 CB SER A 11 -12.764 -7.112 -17.911 1.00 0.00 C ATOM 110 OG SER A 11 -12.214 -6.885 -19.194 1.00 0.00 O ATOM 0 H SER A 11 -15.204 -7.595 -19.837 1.00 0.00 H new ATOM 0 HA SER A 11 -13.994 -8.784 -18.442 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.856 -6.170 -17.370 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.103 -7.752 -17.327 1.00 0.00 H new ATOM 0 HG SER A 11 -11.335 -6.462 -19.103 1.00 0.00 H new ATOM 116 N GLN A 12 -14.352 -8.854 -15.888 1.00 0.00 N ATOM 117 CA GLN A 12 -14.722 -8.971 -14.485 1.00 0.00 C ATOM 118 C GLN A 12 -13.529 -9.532 -13.713 1.00 0.00 C ATOM 119 O GLN A 12 -13.112 -8.901 -12.742 1.00 0.00 O ATOM 120 CB GLN A 12 -15.955 -9.873 -14.279 1.00 0.00 C ATOM 121 CG GLN A 12 -17.309 -9.153 -14.211 1.00 0.00 C ATOM 122 CD GLN A 12 -18.405 -10.144 -13.826 1.00 0.00 C ATOM 123 OE1 GLN A 12 -19.154 -10.613 -14.679 1.00 0.00 O ATOM 124 NE2 GLN A 12 -18.490 -10.529 -12.563 1.00 0.00 N ATOM 0 H GLN A 12 -13.647 -9.532 -16.176 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.989 -7.981 -14.116 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.991 -10.597 -15.093 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.818 -10.437 -13.356 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.265 -8.345 -13.481 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.539 -8.700 -15.175 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.861 -10.131 -11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.184 -11.224 -12.287 1.00 0.00 H new ATOM 133 N ALA A 13 -13.001 -10.682 -14.153 1.00 0.00 N ATOM 134 CA ALA A 13 -12.261 -11.675 -13.368 1.00 0.00 C ATOM 135 C ALA A 13 -13.189 -12.326 -12.323 1.00 0.00 C ATOM 136 O ALA A 13 -14.213 -11.741 -11.964 1.00 0.00 O ATOM 137 CB ALA A 13 -10.987 -11.087 -12.741 1.00 0.00 C ATOM 0 H ALA A 13 -13.086 -10.960 -15.131 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.920 -12.459 -14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.473 -11.860 -12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.329 -10.720 -13.529 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.254 -10.263 -12.079 1.00 0.00 H new ATOM 143 N PRO A 14 -12.906 -13.550 -11.850 1.00 0.00 N ATOM 144 CA PRO A 14 -13.603 -14.125 -10.705 1.00 0.00 C ATOM 145 C PRO A 14 -13.027 -13.577 -9.393 1.00 0.00 C ATOM 146 O PRO A 14 -13.767 -13.417 -8.422 1.00 0.00 O ATOM 147 CB PRO A 14 -13.410 -15.637 -10.835 1.00 0.00 C ATOM 148 CG PRO A 14 -12.077 -15.766 -11.564 1.00 0.00 C ATOM 149 CD PRO A 14 -11.970 -14.503 -12.420 1.00 0.00 C ATOM 0 HA PRO A 14 -14.662 -13.869 -10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.382 -16.123 -9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.221 -16.098 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.248 -15.837 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.050 -16.664 -12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.954 -14.108 -12.406 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.215 -14.715 -13.461 1.00 0.00 H new ATOM 157 N GLY A 15 -11.729 -13.256 -9.367 1.00 0.00 N ATOM 158 CA GLY A 15 -11.037 -12.753 -8.196 1.00 0.00 C ATOM 159 C GLY A 15 -10.579 -13.896 -7.295 1.00 0.00 C ATOM 160 O GLY A 15 -10.953 -15.061 -7.488 1.00 0.00 O ATOM 0 H GLY A 15 -11.124 -13.344 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.175 -12.162 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.696 -12.088 -7.638 1.00 0.00 H new ATOM 164 N GLY A 16 -9.794 -13.561 -6.270 1.00 0.00 N ATOM 165 CA GLY A 16 -9.115 -14.539 -5.428 1.00 0.00 C ATOM 166 C GLY A 16 -7.642 -14.555 -5.783 1.00 0.00 C ATOM 167 O GLY A 16 -7.230 -15.345 -6.627 1.00 0.00 O ATOM 0 H GLY A 16 -9.612 -12.594 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.246 -14.286 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.549 -15.528 -5.575 1.00 0.00 H new ATOM 171 N ILE A 17 -6.878 -13.665 -5.139 1.00 0.00 N ATOM 172 CA ILE A 17 -5.489 -13.306 -5.429 1.00 0.00 C ATOM 173 C ILE A 17 -4.582 -14.489 -5.774 1.00 0.00 C ATOM 174 O ILE A 17 -3.706 -14.361 -6.620 1.00 0.00 O ATOM 175 CB ILE A 17 -4.924 -12.510 -4.249 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.592 -11.893 -4.712 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.741 -13.292 -2.932 1.00 0.00 C ATOM 178 CD1 ILE A 17 -3.518 -10.432 -4.319 1.00 0.00 C ATOM 0 H ILE A 17 -7.243 -13.140 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.504 -12.699 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.666 -11.755 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.759 -12.438 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.496 -11.990 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.336 -12.628 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.705 -13.679 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.053 -14.122 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.570 -10.013 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.340 -9.888 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.591 -10.343 -3.235 1.00 0.00 H new ATOM 190 N GLN A 18 -4.783 -15.631 -5.123 1.00 0.00 N ATOM 191 CA GLN A 18 -4.028 -16.855 -5.339 1.00 0.00 C ATOM 192 C GLN A 18 -3.885 -17.162 -6.838 1.00 0.00 C ATOM 193 O GLN A 18 -2.784 -17.413 -7.322 1.00 0.00 O ATOM 194 CB GLN A 18 -4.759 -17.974 -4.588 1.00 0.00 C ATOM 195 CG GLN A 18 -4.643 -17.824 -3.058 1.00 0.00 C ATOM 196 CD GLN A 18 -5.158 -19.058 -2.313 1.00 0.00 C ATOM 197 OE1 GLN A 18 -5.841 -19.907 -2.877 1.00 0.00 O ATOM 198 NE2 GLN A 18 -4.853 -19.221 -1.036 1.00 0.00 N ATOM 0 H GLN A 18 -5.502 -15.730 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.011 -16.756 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.811 -17.972 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.349 -18.938 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.601 -17.649 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.206 -16.947 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.286 -18.523 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.185 -20.044 -0.533 1.00 0.00 H new ATOM 207 N GLU A 19 -4.981 -17.076 -7.587 1.00 0.00 N ATOM 208 CA GLU A 19 -5.025 -17.285 -9.022 1.00 0.00 C ATOM 209 C GLU A 19 -4.271 -16.187 -9.779 1.00 0.00 C ATOM 210 O GLU A 19 -3.523 -16.496 -10.698 1.00 0.00 O ATOM 211 CB GLU A 19 -6.499 -17.375 -9.419 1.00 0.00 C ATOM 212 CG GLU A 19 -6.733 -17.445 -10.930 1.00 0.00 C ATOM 213 CD GLU A 19 -8.047 -18.167 -11.202 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.013 -19.423 -11.275 1.00 0.00 O ATOM 215 OE2 GLU A 19 -9.097 -17.489 -11.272 1.00 0.00 O ATOM 0 H GLU A 19 -5.894 -16.850 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.516 -18.210 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.937 -18.257 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.026 -16.508 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.762 -16.441 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.909 -17.970 -11.413 1.00 0.00 H new ATOM 222 N ILE A 20 -4.415 -14.915 -9.406 1.00 0.00 N ATOM 223 CA ILE A 20 -3.713 -13.776 -10.009 1.00 0.00 C ATOM 224 C ILE A 20 -2.191 -13.894 -9.824 1.00 0.00 C ATOM 225 O ILE A 20 -1.400 -13.489 -10.682 1.00 0.00 O ATOM 226 CB ILE A 20 -4.293 -12.493 -9.365 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.777 -12.322 -9.757 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.495 -11.242 -9.747 1.00 0.00 C ATOM 229 CD1 ILE A 20 -6.784 -12.534 -8.633 1.00 0.00 C ATOM 0 H ILE A 20 -5.043 -14.638 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.869 -13.748 -11.087 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.216 -12.609 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.915 -11.318 -10.159 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.005 -13.022 -10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.940 -10.368 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.464 -11.352 -9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.513 -11.115 -10.829 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.794 -12.390 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.685 -13.547 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.594 -11.817 -7.834 1.00 0.00 H new ATOM 241 N VAL A 21 -1.758 -14.466 -8.711 1.00 0.00 N ATOM 242 CA VAL A 21 -0.365 -14.785 -8.454 1.00 0.00 C ATOM 243 C VAL A 21 0.047 -15.981 -9.313 1.00 0.00 C ATOM 244 O VAL A 21 1.191 -16.064 -9.757 1.00 0.00 O ATOM 245 CB VAL A 21 -0.236 -15.065 -6.951 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.163 -15.528 -6.555 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.543 -13.794 -6.152 1.00 0.00 C ATOM 0 H VAL A 21 -2.380 -14.726 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 21 0.302 -13.965 -8.719 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.946 -15.861 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.195 -15.711 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.406 -16.448 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.888 -14.757 -6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.449 -14.003 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.160 -13.010 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.559 -13.464 -6.369 1.00 0.00 H new ATOM 257 N ALA A 22 -0.881 -16.897 -9.582 1.00 0.00 N ATOM 258 CA ALA A 22 -0.609 -18.068 -10.389 1.00 0.00 C ATOM 259 C ALA A 22 -0.381 -17.668 -11.847 1.00 0.00 C ATOM 260 O ALA A 22 0.504 -18.217 -12.499 1.00 0.00 O ATOM 261 CB ALA A 22 -1.755 -19.074 -10.256 1.00 0.00 C ATOM 0 H ALA A 22 -1.841 -16.841 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 22 0.303 -18.546 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.542 -19.951 -10.866 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.857 -19.374 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.684 -18.614 -10.594 1.00 0.00 H new ATOM 267 N MET A 23 -1.195 -16.754 -12.391 1.00 0.00 N ATOM 268 CA MET A 23 -1.012 -16.230 -13.750 1.00 0.00 C ATOM 269 C MET A 23 0.201 -15.291 -13.853 1.00 0.00 C ATOM 270 O MET A 23 0.673 -15.081 -14.975 1.00 0.00 O ATOM 271 CB MET A 23 -2.284 -15.550 -14.310 1.00 0.00 C ATOM 272 CG MET A 23 -3.150 -14.823 -13.298 1.00 0.00 C ATOM 273 SD MET A 23 -4.382 -13.690 -13.985 1.00 0.00 S ATOM 274 CE MET A 23 -5.729 -14.887 -14.156 1.00 0.00 C ATOM 0 H MET A 23 -1.998 -16.358 -11.902 1.00 0.00 H new ATOM 0 HA MET A 23 -0.814 -17.101 -14.374 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.983 -14.838 -15.079 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.893 -16.310 -14.800 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.666 -15.566 -12.690 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.499 -14.260 -12.629 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.510 -14.467 -14.790 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.347 -15.802 -14.609 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.142 -15.113 -13.173 1.00 0.00 H new ATOM 284 N SER A 24 0.703 -14.731 -12.742 1.00 0.00 N ATOM 285 CA SER A 24 1.772 -13.732 -12.761 1.00 0.00 C ATOM 286 C SER A 24 3.059 -14.247 -13.438 1.00 0.00 C ATOM 287 O SER A 24 3.395 -15.426 -13.270 1.00 0.00 O ATOM 288 CB SER A 24 2.096 -13.258 -11.332 1.00 0.00 C ATOM 289 OG SER A 24 1.251 -12.200 -10.946 1.00 0.00 O ATOM 0 H SER A 24 0.375 -14.962 -11.804 1.00 0.00 H new ATOM 0 HA SER A 24 1.401 -12.896 -13.353 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.985 -14.089 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.136 -12.935 -11.279 1.00 0.00 H new ATOM 0 HG SER A 24 0.340 -12.539 -10.819 1.00 0.00 H new ATOM 295 N PRO A 25 3.801 -13.370 -14.146 1.00 0.00 N ATOM 296 CA PRO A 25 5.161 -13.611 -14.635 1.00 0.00 C ATOM 297 C PRO A 25 6.167 -13.721 -13.476 1.00 0.00 C ATOM 298 O PRO A 25 5.777 -13.679 -12.309 1.00 0.00 O ATOM 299 CB PRO A 25 5.466 -12.442 -15.571 1.00 0.00 C ATOM 300 CG PRO A 25 4.646 -11.296 -15.004 1.00 0.00 C ATOM 301 CD PRO A 25 3.412 -11.994 -14.447 1.00 0.00 C ATOM 0 HA PRO A 25 5.244 -14.562 -15.161 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.530 -12.205 -15.581 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.180 -12.668 -16.598 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.189 -10.758 -14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.385 -10.569 -15.773 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.055 -11.489 -13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.597 -11.973 -15.170 1.00 0.00 H new ATOM 309 N GLU A 26 7.444 -13.978 -13.768 1.00 0.00 N ATOM 310 CA GLU A 26 8.503 -14.015 -12.769 1.00 0.00 C ATOM 311 C GLU A 26 8.847 -12.597 -12.288 1.00 0.00 C ATOM 312 O GLU A 26 9.466 -11.804 -13.005 1.00 0.00 O ATOM 313 CB GLU A 26 9.737 -14.772 -13.298 1.00 0.00 C ATOM 314 CG GLU A 26 10.122 -15.799 -12.238 1.00 0.00 C ATOM 315 CD GLU A 26 11.354 -16.664 -12.496 1.00 0.00 C ATOM 316 OE1 GLU A 26 11.863 -16.716 -13.634 1.00 0.00 O ATOM 317 OE2 GLU A 26 11.747 -17.392 -11.555 1.00 0.00 O ATOM 0 H GLU A 26 7.770 -14.168 -14.716 1.00 0.00 H new ATOM 0 HA GLU A 26 8.143 -14.569 -11.902 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.511 -15.262 -14.245 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.561 -14.083 -13.484 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.277 -15.268 -11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.271 -16.464 -12.092 1.00 0.00 H new ATOM 324 N LEU A 27 8.415 -12.276 -11.070 1.00 0.00 N ATOM 325 CA LEU A 27 8.564 -10.973 -10.437 1.00 0.00 C ATOM 326 C LEU A 27 9.832 -10.935 -9.601 1.00 0.00 C ATOM 327 O LEU A 27 10.004 -11.740 -8.684 1.00 0.00 O ATOM 328 CB LEU A 27 7.331 -10.683 -9.588 1.00 0.00 C ATOM 329 CG LEU A 27 6.398 -9.679 -10.275 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.950 -10.105 -11.671 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.183 -9.543 -9.373 1.00 0.00 C ATOM 0 H LEU A 27 7.931 -12.948 -10.474 1.00 0.00 H new ATOM 0 HA LEU A 27 8.651 -10.201 -11.201 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.792 -11.611 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.639 -10.290 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 27 6.936 -8.742 -10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.293 -9.343 -12.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.823 -10.225 -12.313 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.414 -11.052 -11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.480 -8.836 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.701 -10.514 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.496 -9.181 -8.394 1.00 0.00 H new ATOM 343 N ASP A 28 10.705 -9.980 -9.908 1.00 0.00 N ATOM 344 CA ASP A 28 11.972 -9.752 -9.225 1.00 0.00 C ATOM 345 C ASP A 28 11.708 -9.270 -7.809 1.00 0.00 C ATOM 346 O ASP A 28 11.619 -8.064 -7.568 1.00 0.00 O ATOM 347 CB ASP A 28 12.823 -8.715 -9.967 1.00 0.00 C ATOM 348 CG ASP A 28 13.471 -9.291 -11.208 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.213 -10.289 -11.072 1.00 0.00 O ATOM 350 OD2 ASP A 28 13.255 -8.718 -12.301 1.00 0.00 O ATOM 0 H ASP A 28 10.542 -9.320 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 28 12.521 -10.693 -9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.198 -7.867 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.596 -8.336 -9.298 1.00 0.00 H new ATOM 355 N THR A 29 11.582 -10.195 -6.857 1.00 0.00 N ATOM 356 CA THR A 29 11.252 -9.856 -5.479 1.00 0.00 C ATOM 357 C THR A 29 12.230 -8.805 -4.949 1.00 0.00 C ATOM 358 O THR A 29 11.806 -7.809 -4.373 1.00 0.00 O ATOM 359 CB THR A 29 11.167 -11.117 -4.594 1.00 0.00 C ATOM 360 OG1 THR A 29 12.378 -11.853 -4.549 1.00 0.00 O ATOM 361 CG2 THR A 29 10.066 -12.061 -5.081 1.00 0.00 C ATOM 0 H THR A 29 11.706 -11.194 -7.021 1.00 0.00 H new ATOM 0 HA THR A 29 10.258 -9.410 -5.447 1.00 0.00 H new ATOM 0 HB THR A 29 10.946 -10.746 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.336 -12.508 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.030 -12.940 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.105 -11.547 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.277 -12.369 -6.105 1.00 0.00 H new ATOM 369 N TYR A 30 13.529 -8.970 -5.208 1.00 0.00 N ATOM 370 CA TYR A 30 14.568 -8.044 -4.800 1.00 0.00 C ATOM 371 C TYR A 30 14.330 -6.632 -5.325 1.00 0.00 C ATOM 372 O TYR A 30 14.219 -5.711 -4.512 1.00 0.00 O ATOM 373 CB TYR A 30 15.916 -8.596 -5.254 1.00 0.00 C ATOM 374 CG TYR A 30 17.089 -8.122 -4.435 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.137 -8.491 -3.084 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.152 -7.403 -5.014 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.290 -8.244 -2.326 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.315 -7.156 -4.260 1.00 0.00 C ATOM 379 CZ TYR A 30 19.412 -7.639 -2.934 1.00 0.00 C ATOM 380 OH TYR A 30 20.554 -7.489 -2.209 1.00 0.00 O ATOM 0 H TYR A 30 13.889 -9.775 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 30 14.555 -7.956 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.880 -9.685 -5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.078 -8.316 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.283 -8.967 -2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 30 18.076 -7.043 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.320 -8.515 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 30 20.132 -6.598 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 30 21.238 -7.058 -2.762 1.00 0.00 H new ATOM 390 N SER A 31 14.222 -6.476 -6.648 1.00 0.00 N ATOM 391 CA SER A 31 13.968 -5.197 -7.294 1.00 0.00 C ATOM 392 C SER A 31 12.709 -4.589 -6.675 1.00 0.00 C ATOM 393 O SER A 31 12.802 -3.494 -6.135 1.00 0.00 O ATOM 394 CB SER A 31 13.893 -5.401 -8.818 1.00 0.00 C ATOM 395 OG SER A 31 14.059 -4.193 -9.535 1.00 0.00 O ATOM 0 H SER A 31 14.311 -7.251 -7.305 1.00 0.00 H new ATOM 0 HA SER A 31 14.777 -4.485 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.662 -6.110 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.930 -5.843 -9.075 1.00 0.00 H new ATOM 0 HG SER A 31 14.005 -4.373 -10.497 1.00 0.00 H new ATOM 401 N ILE A 32 11.590 -5.322 -6.606 1.00 0.00 N ATOM 402 CA ILE A 32 10.340 -4.850 -6.007 1.00 0.00 C ATOM 403 C ILE A 32 10.599 -4.339 -4.586 1.00 0.00 C ATOM 404 O ILE A 32 10.203 -3.222 -4.281 1.00 0.00 O ATOM 405 CB ILE A 32 9.259 -5.961 -6.063 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.853 -6.249 -7.524 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.997 -5.612 -5.248 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.147 -7.596 -7.680 1.00 0.00 C ATOM 0 H ILE A 32 11.529 -6.273 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 32 9.952 -4.009 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 32 9.709 -6.847 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.196 -5.455 -7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.742 -6.233 -8.155 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.277 -6.427 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.268 -5.465 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.553 -4.697 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.883 -7.749 -8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.812 -8.395 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.242 -7.605 -7.072 1.00 0.00 H new ATOM 420 N THR A 33 11.259 -5.094 -3.698 1.00 0.00 N ATOM 421 CA THR A 33 11.442 -4.635 -2.318 1.00 0.00 C ATOM 422 C THR A 33 12.183 -3.303 -2.238 1.00 0.00 C ATOM 423 O THR A 33 11.857 -2.452 -1.409 1.00 0.00 O ATOM 424 CB THR A 33 12.166 -5.673 -1.456 1.00 0.00 C ATOM 425 OG1 THR A 33 13.447 -6.033 -1.938 1.00 0.00 O ATOM 426 CG2 THR A 33 11.319 -6.924 -1.263 1.00 0.00 C ATOM 0 H THR A 33 11.667 -6.006 -3.905 1.00 0.00 H new ATOM 0 HA THR A 33 10.436 -4.492 -1.924 1.00 0.00 H new ATOM 0 HB THR A 33 12.319 -5.181 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.551 -5.715 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.863 -7.640 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.384 -6.658 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.104 -7.371 -2.234 1.00 0.00 H new ATOM 434 N LYS A 34 13.187 -3.136 -3.092 1.00 0.00 N ATOM 435 CA LYS A 34 13.924 -1.893 -3.244 1.00 0.00 C ATOM 436 C LYS A 34 12.979 -0.810 -3.761 1.00 0.00 C ATOM 437 O LYS A 34 12.785 0.189 -3.079 1.00 0.00 O ATOM 438 CB LYS A 34 15.117 -2.121 -4.194 1.00 0.00 C ATOM 439 CG LYS A 34 16.453 -2.172 -3.447 1.00 0.00 C ATOM 440 CD LYS A 34 16.703 -3.511 -2.746 1.00 0.00 C ATOM 441 CE LYS A 34 17.992 -3.358 -1.943 1.00 0.00 C ATOM 442 NZ LYS A 34 18.299 -4.563 -1.152 1.00 0.00 N ATOM 0 H LYS A 34 13.516 -3.878 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 34 14.321 -1.561 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.972 -3.054 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.147 -1.321 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.263 -1.981 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.479 -1.372 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.869 -3.766 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.795 -4.317 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.819 -3.150 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.904 -2.500 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.081 -4.359 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.458 -4.846 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.575 -5.336 -1.790 1.00 0.00 H new ATOM 456 N ARG A 35 12.352 -1.028 -4.915 1.00 0.00 N ATOM 457 CA ARG A 35 11.474 -0.101 -5.621 1.00 0.00 C ATOM 458 C ARG A 35 10.360 0.396 -4.698 1.00 0.00 C ATOM 459 O ARG A 35 10.036 1.577 -4.682 1.00 0.00 O ATOM 460 CB ARG A 35 10.952 -0.852 -6.868 1.00 0.00 C ATOM 461 CG ARG A 35 10.644 -0.009 -8.107 1.00 0.00 C ATOM 462 CD ARG A 35 9.507 0.973 -7.862 1.00 0.00 C ATOM 463 NE ARG A 35 8.948 1.509 -9.114 1.00 0.00 N ATOM 464 CZ ARG A 35 9.235 2.703 -9.650 1.00 0.00 C ATOM 465 NH1 ARG A 35 10.233 3.437 -9.169 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.508 3.143 -10.670 1.00 0.00 N ATOM 0 H ARG A 35 12.451 -1.913 -5.412 1.00 0.00 H new ATOM 0 HA ARG A 35 11.999 0.800 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.691 -1.604 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.044 -1.386 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.538 0.539 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.383 -0.666 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.717 0.477 -7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.869 1.797 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 35 8.284 0.920 -9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.788 3.093 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.444 4.345 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.744 2.574 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.714 4.050 -11.089 1.00 0.00 H new ATOM 480 N VAL A 36 9.793 -0.499 -3.890 1.00 0.00 N ATOM 481 CA VAL A 36 8.804 -0.197 -2.870 1.00 0.00 C ATOM 482 C VAL A 36 9.420 0.753 -1.848 1.00 0.00 C ATOM 483 O VAL A 36 8.868 1.815 -1.571 1.00 0.00 O ATOM 484 CB VAL A 36 8.303 -1.525 -2.254 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.562 -1.321 -0.929 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.325 -2.225 -3.213 1.00 0.00 C ATOM 0 H VAL A 36 10.023 -1.492 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 36 7.934 0.310 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 36 9.195 -2.126 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.234 -2.286 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.230 -0.850 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.695 -0.681 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.981 -3.158 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.470 -1.575 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.830 -2.439 -4.155 1.00 0.00 H new ATOM 496 N LYS A 37 10.549 0.370 -1.254 1.00 0.00 N ATOM 497 CA LYS A 37 11.184 1.141 -0.197 1.00 0.00 C ATOM 498 C LYS A 37 11.533 2.543 -0.638 1.00 0.00 C ATOM 499 O LYS A 37 11.348 3.459 0.156 1.00 0.00 O ATOM 500 CB LYS A 37 12.439 0.417 0.274 1.00 0.00 C ATOM 501 CG LYS A 37 12.003 -0.586 1.332 1.00 0.00 C ATOM 502 CD LYS A 37 13.178 -1.300 1.991 1.00 0.00 C ATOM 503 CE LYS A 37 13.805 -2.352 1.080 1.00 0.00 C ATOM 504 NZ LYS A 37 14.801 -3.141 1.824 1.00 0.00 N ATOM 0 H LYS A 37 11.047 -0.487 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 37 10.470 1.230 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.928 -0.089 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.160 1.123 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.422 -0.071 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.345 -1.325 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.935 -0.567 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.840 -1.775 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.031 -3.010 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.278 -1.868 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.757 -2.870 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.699 -2.958 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.652 -4.153 1.638 1.00 0.00 H new ATOM 518 N GLU A 38 12.035 2.699 -1.853 1.00 0.00 N ATOM 519 CA GLU A 38 12.311 3.991 -2.473 1.00 0.00 C ATOM 520 C GLU A 38 11.073 4.883 -2.406 1.00 0.00 C ATOM 521 O GLU A 38 11.098 5.943 -1.784 1.00 0.00 O ATOM 522 CB GLU A 38 12.792 3.777 -3.916 1.00 0.00 C ATOM 523 CG GLU A 38 14.191 3.160 -3.897 1.00 0.00 C ATOM 524 CD GLU A 38 14.793 3.056 -5.297 1.00 0.00 C ATOM 525 OE1 GLU A 38 14.488 2.063 -6.010 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.609 3.918 -5.674 1.00 0.00 O ATOM 0 H GLU A 38 12.269 1.909 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 38 13.106 4.501 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.101 3.123 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.808 4.727 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.844 3.763 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.143 2.167 -3.449 1.00 0.00 H new ATOM 533 N VAL A 39 9.962 4.421 -2.975 1.00 0.00 N ATOM 534 CA VAL A 39 8.692 5.149 -2.950 1.00 0.00 C ATOM 535 C VAL A 39 8.269 5.459 -1.503 1.00 0.00 C ATOM 536 O VAL A 39 7.827 6.575 -1.228 1.00 0.00 O ATOM 537 CB VAL A 39 7.627 4.362 -3.749 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.225 4.986 -3.668 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.018 4.293 -5.235 1.00 0.00 C ATOM 0 H VAL A 39 9.915 3.529 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 39 8.807 6.116 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 39 7.592 3.371 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.525 4.386 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.900 5.016 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.254 5.999 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.260 3.736 -5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.092 5.303 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.980 3.791 -5.335 1.00 0.00 H new ATOM 549 N LEU A 40 8.411 4.517 -0.559 1.00 0.00 N ATOM 550 CA LEU A 40 8.040 4.777 0.834 1.00 0.00 C ATOM 551 C LEU A 40 8.938 5.855 1.450 1.00 0.00 C ATOM 552 O LEU A 40 8.426 6.726 2.144 1.00 0.00 O ATOM 553 CB LEU A 40 8.036 3.505 1.709 1.00 0.00 C ATOM 554 CG LEU A 40 7.062 2.405 1.249 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.336 1.152 2.079 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.595 2.816 1.383 1.00 0.00 C ATOM 0 H LEU A 40 8.776 3.581 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 40 7.013 5.142 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.045 3.092 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.787 3.786 2.732 1.00 0.00 H new ATOM 0 HG LEU A 40 7.230 2.219 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.657 0.356 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.366 0.831 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.180 1.374 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.956 2.001 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.374 3.040 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.408 3.701 0.774 1.00 0.00 H new ATOM 568 N THR A 41 10.247 5.811 1.204 1.00 0.00 N ATOM 569 CA THR A 41 11.242 6.759 1.689 1.00 0.00 C ATOM 570 C THR A 41 10.895 8.173 1.230 1.00 0.00 C ATOM 571 O THR A 41 10.826 9.105 2.035 1.00 0.00 O ATOM 572 CB THR A 41 12.606 6.327 1.126 1.00 0.00 C ATOM 573 OG1 THR A 41 12.909 5.009 1.535 1.00 0.00 O ATOM 574 CG2 THR A 41 13.731 7.263 1.520 1.00 0.00 C ATOM 0 H THR A 41 10.660 5.075 0.632 1.00 0.00 H new ATOM 0 HA THR A 41 11.267 6.765 2.779 1.00 0.00 H new ATOM 0 HB THR A 41 12.523 6.368 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.531 4.372 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.668 6.906 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.520 8.264 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.816 7.293 2.606 1.00 0.00 H new ATOM 582 N ASP A 42 10.690 8.320 -0.077 1.00 0.00 N ATOM 583 CA ASP A 42 10.457 9.596 -0.735 1.00 0.00 C ATOM 584 C ASP A 42 9.192 10.243 -0.180 1.00 0.00 C ATOM 585 O ASP A 42 9.136 11.458 -0.029 1.00 0.00 O ATOM 586 CB ASP A 42 10.318 9.357 -2.243 1.00 0.00 C ATOM 587 CG ASP A 42 11.629 9.337 -3.028 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.741 9.395 -2.439 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.544 9.194 -4.263 1.00 0.00 O ATOM 0 H ASP A 42 10.682 7.530 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 42 11.295 10.268 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.808 8.406 -2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.677 10.134 -2.659 1.00 0.00 H new ATOM 594 N ASN A 43 8.191 9.435 0.171 1.00 0.00 N ATOM 595 CA ASN A 43 6.915 9.899 0.709 1.00 0.00 C ATOM 596 C ASN A 43 6.890 9.848 2.241 1.00 0.00 C ATOM 597 O ASN A 43 5.836 10.032 2.845 1.00 0.00 O ATOM 598 CB ASN A 43 5.780 9.083 0.084 1.00 0.00 C ATOM 599 CG ASN A 43 5.622 9.419 -1.389 1.00 0.00 C ATOM 600 OD1 ASN A 43 4.948 10.383 -1.738 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.190 8.612 -2.265 1.00 0.00 N ATOM 0 H ASN A 43 8.247 8.420 0.087 1.00 0.00 H new ATOM 0 HA ASN A 43 6.777 10.947 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.985 8.019 0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.847 9.286 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.075 8.781 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.745 7.819 -1.943 1.00 0.00 H new ATOM 608 N ASN A 44 8.035 9.602 2.891 1.00 0.00 N ATOM 609 CA ASN A 44 8.224 9.576 4.346 1.00 0.00 C ATOM 610 C ASN A 44 7.325 8.555 5.061 1.00 0.00 C ATOM 611 O ASN A 44 7.034 8.699 6.256 1.00 0.00 O ATOM 612 CB ASN A 44 8.081 10.997 4.925 1.00 0.00 C ATOM 613 CG ASN A 44 9.209 11.892 4.454 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.256 11.926 5.092 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.044 12.629 3.371 1.00 0.00 N ATOM 0 H ASN A 44 8.900 9.405 2.388 1.00 0.00 H new ATOM 0 HA ASN A 44 9.240 9.229 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.124 11.422 4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.079 10.951 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.795 13.241 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.166 12.587 2.854 1.00 0.00 H new ATOM 622 N LEU A 45 6.863 7.531 4.344 1.00 0.00 N ATOM 623 CA LEU A 45 5.871 6.567 4.792 1.00 0.00 C ATOM 624 C LEU A 45 6.487 5.492 5.681 1.00 0.00 C ATOM 625 O LEU A 45 7.685 5.194 5.628 1.00 0.00 O ATOM 626 CB LEU A 45 5.227 5.900 3.569 1.00 0.00 C ATOM 627 CG LEU A 45 4.267 6.816 2.789 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.978 6.167 1.440 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.951 7.029 3.548 1.00 0.00 C ATOM 0 H LEU A 45 7.187 7.347 3.395 1.00 0.00 H new ATOM 0 HA LEU A 45 5.123 7.102 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.015 5.560 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.682 5.014 3.896 1.00 0.00 H new ATOM 0 HG LEU A 45 4.736 7.792 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.298 6.800 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.910 6.045 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.519 5.191 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.298 7.681 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.461 6.068 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.158 7.490 4.514 1.00 0.00 H new ATOM 641 N GLY A 46 5.619 4.855 6.462 1.00 0.00 N ATOM 642 CA GLY A 46 5.951 3.716 7.286 1.00 0.00 C ATOM 643 C GLY A 46 5.783 2.454 6.460 1.00 0.00 C ATOM 644 O GLY A 46 4.701 2.218 5.912 1.00 0.00 O ATOM 0 H GLY A 46 4.640 5.131 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.976 3.797 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.305 3.683 8.163 1.00 0.00 H new ATOM 648 N GLN A 47 6.820 1.615 6.426 1.00 0.00 N ATOM 649 CA GLN A 47 6.727 0.248 5.935 1.00 0.00 C ATOM 650 C GLN A 47 5.566 -0.468 6.622 1.00 0.00 C ATOM 651 O GLN A 47 4.897 -1.249 5.955 1.00 0.00 O ATOM 652 CB GLN A 47 8.017 -0.543 6.206 1.00 0.00 C ATOM 653 CG GLN A 47 9.157 -0.208 5.242 1.00 0.00 C ATOM 654 CD GLN A 47 10.504 -0.762 5.685 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.610 -2.042 5.983 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 11.497 -0.049 5.772 1.00 0.00 N flip ATOM 0 H GLN A 47 7.755 1.872 6.743 1.00 0.00 H new ATOM 0 HA GLN A 47 6.567 0.297 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.346 -0.346 7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.800 -1.609 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.917 -0.603 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.233 0.875 5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.434 0.943 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.387 -0.448 6.071 1.00 0.00 H new ATOM 665 N ARG A 48 5.316 -0.227 7.923 1.00 0.00 N ATOM 666 CA ARG A 48 4.199 -0.883 8.600 1.00 0.00 C ATOM 667 C ARG A 48 2.888 -0.533 7.914 1.00 0.00 C ATOM 668 O ARG A 48 2.216 -1.453 7.490 1.00 0.00 O ATOM 669 CB ARG A 48 4.127 -0.602 10.110 1.00 0.00 C ATOM 670 CG ARG A 48 3.122 -1.567 10.780 1.00 0.00 C ATOM 671 CD ARG A 48 1.887 -0.870 11.343 1.00 0.00 C ATOM 672 NE ARG A 48 2.147 -0.286 12.665 1.00 0.00 N ATOM 673 CZ ARG A 48 1.195 0.202 13.461 1.00 0.00 C ATOM 674 NH1 ARG A 48 0.000 0.534 12.980 1.00 0.00 N ATOM 675 NH2 ARG A 48 1.456 0.349 14.752 1.00 0.00 N ATOM 0 H ARG A 48 5.863 0.404 8.509 1.00 0.00 H new ATOM 0 HA ARG A 48 4.379 -1.955 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.113 -0.722 10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.823 0.430 10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.807 -2.313 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.626 -2.101 11.585 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.567 -0.087 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.067 -1.585 11.416 1.00 0.00 H new ATOM 0 HE ARG A 48 3.112 -0.252 12.994 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.201 0.417 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.716 0.906 13.604 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.372 0.091 15.120 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.741 0.721 15.378 1.00 0.00 H new ATOM 689 N LEU A 49 2.534 0.748 7.776 1.00 0.00 N ATOM 690 CA LEU A 49 1.292 1.181 7.128 1.00 0.00 C ATOM 691 C LEU A 49 1.131 0.479 5.777 1.00 0.00 C ATOM 692 O LEU A 49 0.078 -0.067 5.474 1.00 0.00 O ATOM 693 CB LEU A 49 1.336 2.711 6.925 1.00 0.00 C ATOM 694 CG LEU A 49 -0.014 3.462 6.867 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.198 4.757 6.075 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.228 2.700 6.335 1.00 0.00 C ATOM 0 H LEU A 49 3.107 1.521 8.114 1.00 0.00 H new ATOM 0 HA LEU A 49 0.442 0.920 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.926 3.141 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.873 2.912 5.998 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.288 3.637 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.741 5.307 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.948 5.370 6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.538 4.516 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.102 3.351 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.036 2.378 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.413 1.827 6.961 1.00 0.00 H new ATOM 708 N PHE A 50 2.194 0.468 4.972 1.00 0.00 N ATOM 709 CA PHE A 50 2.206 -0.200 3.681 1.00 0.00 C ATOM 710 C PHE A 50 1.916 -1.700 3.820 1.00 0.00 C ATOM 711 O PHE A 50 1.097 -2.242 3.075 1.00 0.00 O ATOM 712 CB PHE A 50 3.567 0.072 3.033 1.00 0.00 C ATOM 713 CG PHE A 50 3.879 -0.805 1.843 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.345 -0.486 0.581 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.695 -1.945 2.002 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.658 -1.283 -0.527 1.00 0.00 C ATOM 717 CE2 PHE A 50 5.007 -2.744 0.890 1.00 0.00 C ATOM 718 CZ PHE A 50 4.501 -2.390 -0.372 1.00 0.00 C ATOM 0 H PHE A 50 3.075 0.927 5.204 1.00 0.00 H new ATOM 0 HA PHE A 50 1.413 0.191 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.604 1.115 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.346 -0.064 3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.696 0.370 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.079 -2.203 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.250 -1.044 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.628 -3.620 1.004 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.766 -2.981 -1.236 1.00 0.00 H new ATOM 728 N GLY A 51 2.593 -2.384 4.744 1.00 0.00 N ATOM 729 CA GLY A 51 2.383 -3.798 4.994 1.00 0.00 C ATOM 730 C GLY A 51 0.961 -4.059 5.459 1.00 0.00 C ATOM 731 O GLY A 51 0.345 -4.989 4.973 1.00 0.00 O ATOM 0 H GLY A 51 3.306 -1.963 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.583 -4.366 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.087 -4.147 5.750 1.00 0.00 H new ATOM 735 N GLU A 52 0.427 -3.244 6.356 1.00 0.00 N ATOM 736 CA GLU A 52 -0.908 -3.355 6.917 1.00 0.00 C ATOM 737 C GLU A 52 -1.956 -3.206 5.812 1.00 0.00 C ATOM 738 O GLU A 52 -2.768 -4.103 5.585 1.00 0.00 O ATOM 739 CB GLU A 52 -1.075 -2.271 7.978 1.00 0.00 C ATOM 740 CG GLU A 52 -0.256 -2.541 9.247 1.00 0.00 C ATOM 741 CD GLU A 52 -0.702 -3.703 10.132 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.842 -4.192 9.995 1.00 0.00 O ATOM 743 OE2 GLU A 52 0.089 -4.084 11.032 1.00 0.00 O ATOM 0 H GLU A 52 0.941 -2.447 6.731 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.046 -4.335 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.777 -1.310 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.129 -2.190 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.777 -2.720 8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.262 -1.634 9.852 1.00 0.00 H new ATOM 750 N SER A 53 -1.955 -2.063 5.122 1.00 0.00 N ATOM 751 CA SER A 53 -2.929 -1.712 4.112 1.00 0.00 C ATOM 752 C SER A 53 -2.865 -2.632 2.900 1.00 0.00 C ATOM 753 O SER A 53 -3.908 -3.087 2.436 1.00 0.00 O ATOM 754 CB SER A 53 -2.705 -0.254 3.719 1.00 0.00 C ATOM 755 OG SER A 53 -3.041 0.578 4.811 1.00 0.00 O ATOM 0 H SER A 53 -1.249 -1.340 5.263 1.00 0.00 H new ATOM 0 HA SER A 53 -3.930 -1.838 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.665 -0.097 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.315 -0.001 2.852 1.00 0.00 H new ATOM 0 HG SER A 53 -3.979 0.853 4.736 1.00 0.00 H new ATOM 761 N ILE A 54 -1.674 -2.873 2.349 1.00 0.00 N ATOM 762 CA ILE A 54 -1.545 -3.597 1.091 1.00 0.00 C ATOM 763 C ILE A 54 -1.418 -5.087 1.398 1.00 0.00 C ATOM 764 O ILE A 54 -2.181 -5.901 0.879 1.00 0.00 O ATOM 765 CB ILE A 54 -0.361 -3.046 0.249 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.351 -1.507 0.137 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.371 -3.660 -1.161 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.657 -0.874 -0.347 1.00 0.00 C ATOM 0 H ILE A 54 -0.788 -2.576 2.757 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.434 -3.451 0.477 1.00 0.00 H new ATOM 0 HB ILE A 54 0.545 -3.336 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.106 -1.090 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.448 -1.215 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.465 -3.263 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.278 -4.743 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.307 -3.409 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.542 0.209 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.899 -1.253 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.462 -1.127 0.344 1.00 0.00 H new ATOM 780 N LEU A 55 -0.419 -5.449 2.203 1.00 0.00 N ATOM 781 CA LEU A 55 0.093 -6.818 2.297 1.00 0.00 C ATOM 782 C LEU A 55 -0.551 -7.649 3.403 1.00 0.00 C ATOM 783 O LEU A 55 -0.347 -8.862 3.417 1.00 0.00 O ATOM 784 CB LEU A 55 1.621 -6.785 2.484 1.00 0.00 C ATOM 785 CG LEU A 55 2.363 -5.958 1.418 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.872 -6.111 1.604 1.00 0.00 C ATOM 787 CD2 LEU A 55 2.003 -6.366 -0.014 1.00 0.00 C ATOM 0 H LEU A 55 0.064 -4.792 2.816 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.171 -7.310 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.848 -6.377 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.001 -7.806 2.467 1.00 0.00 H new ATOM 0 HG LEU A 55 2.053 -4.922 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.393 -5.524 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.154 -5.757 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.147 -7.161 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.558 -5.747 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.261 -7.414 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.934 -6.228 -0.174 1.00 0.00 H new ATOM 799 N GLY A 56 -1.305 -7.032 4.310 1.00 0.00 N ATOM 800 CA GLY A 56 -1.720 -7.630 5.563 1.00 0.00 C ATOM 801 C GLY A 56 -0.543 -8.185 6.364 1.00 0.00 C ATOM 802 O GLY A 56 -0.624 -9.332 6.810 1.00 0.00 O ATOM 0 H GLY A 56 -1.649 -6.080 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.244 -6.885 6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.429 -8.433 5.362 1.00 0.00 H new ATOM 806 N LEU A 57 0.547 -7.427 6.545 1.00 0.00 N ATOM 807 CA LEU A 57 1.683 -7.840 7.361 1.00 0.00 C ATOM 808 C LEU A 57 2.031 -6.762 8.378 1.00 0.00 C ATOM 809 O LEU A 57 2.072 -5.576 8.052 1.00 0.00 O ATOM 810 CB LEU A 57 2.899 -8.080 6.462 1.00 0.00 C ATOM 811 CG LEU A 57 2.747 -9.286 5.522 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.892 -9.216 4.518 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.787 -10.626 6.262 1.00 0.00 C ATOM 0 H LEU A 57 0.660 -6.505 6.124 1.00 0.00 H new ATOM 0 HA LEU A 57 1.415 -8.757 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.080 -7.186 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.779 -8.228 7.088 1.00 0.00 H new ATOM 0 HG LEU A 57 1.772 -9.237 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.823 -10.057 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.829 -8.282 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.844 -9.259 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.675 -11.440 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.741 -10.727 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.974 -10.666 6.987 1.00 0.00 H new ATOM 825 N THR A 58 2.377 -7.208 9.581 1.00 0.00 N ATOM 826 CA THR A 58 2.888 -6.363 10.652 1.00 0.00 C ATOM 827 C THR A 58 4.291 -5.860 10.289 1.00 0.00 C ATOM 828 O THR A 58 4.952 -6.425 9.413 1.00 0.00 O ATOM 829 CB THR A 58 2.798 -7.092 12.004 1.00 0.00 C ATOM 830 OG1 THR A 58 3.138 -6.245 13.088 1.00 0.00 O ATOM 831 CG2 THR A 58 3.712 -8.303 12.029 1.00 0.00 C ATOM 0 H THR A 58 2.308 -8.191 9.844 1.00 0.00 H new ATOM 0 HA THR A 58 2.269 -5.473 10.766 1.00 0.00 H new ATOM 0 HB THR A 58 1.761 -7.407 12.116 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.067 -6.744 13.928 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.630 -8.801 12.995 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.421 -8.995 11.238 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.742 -7.984 11.871 1.00 0.00 H new ATOM 839 N GLN A 59 4.780 -4.832 10.998 1.00 0.00 N ATOM 840 CA GLN A 59 6.086 -4.247 10.717 1.00 0.00 C ATOM 841 C GLN A 59 7.184 -5.304 10.762 1.00 0.00 C ATOM 842 O GLN A 59 8.053 -5.274 9.902 1.00 0.00 O ATOM 843 CB GLN A 59 6.472 -3.130 11.696 1.00 0.00 C ATOM 844 CG GLN A 59 7.575 -2.236 11.097 1.00 0.00 C ATOM 845 CD GLN A 59 8.344 -1.524 12.196 1.00 0.00 C ATOM 846 OE1 GLN A 59 7.838 -0.613 12.851 1.00 0.00 O ATOM 847 NE2 GLN A 59 9.550 -1.979 12.479 1.00 0.00 N ATOM 0 H GLN A 59 4.283 -4.392 11.772 1.00 0.00 H new ATOM 0 HA GLN A 59 5.998 -3.821 9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.595 -2.526 11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.819 -3.565 12.633 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.258 -2.842 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.130 -1.503 10.424 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.953 -2.735 11.925 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.079 -1.575 13.252 1.00 0.00 H new ATOM 856 N GLY A 60 7.191 -6.198 11.753 1.00 0.00 N ATOM 857 CA GLY A 60 8.276 -7.157 11.907 1.00 0.00 C ATOM 858 C GLY A 60 8.399 -8.045 10.675 1.00 0.00 C ATOM 859 O GLY A 60 9.495 -8.207 10.127 1.00 0.00 O ATOM 0 H GLY A 60 6.457 -6.274 12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.214 -6.627 12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.099 -7.774 12.788 1.00 0.00 H new ATOM 863 N SER A 61 7.264 -8.572 10.223 1.00 0.00 N ATOM 864 CA SER A 61 7.148 -9.421 9.057 1.00 0.00 C ATOM 865 C SER A 61 7.462 -8.659 7.767 1.00 0.00 C ATOM 866 O SER A 61 8.072 -9.233 6.864 1.00 0.00 O ATOM 867 CB SER A 61 5.726 -9.990 9.031 1.00 0.00 C ATOM 868 OG SER A 61 5.401 -10.566 10.281 1.00 0.00 O ATOM 0 H SER A 61 6.368 -8.408 10.683 1.00 0.00 H new ATOM 0 HA SER A 61 7.877 -10.229 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.015 -9.199 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.642 -10.741 8.245 1.00 0.00 H new ATOM 0 HG SER A 61 4.489 -10.924 10.249 1.00 0.00 H new ATOM 874 N VAL A 62 7.048 -7.395 7.639 1.00 0.00 N ATOM 875 CA VAL A 62 7.248 -6.633 6.410 1.00 0.00 C ATOM 876 C VAL A 62 8.670 -6.063 6.337 1.00 0.00 C ATOM 877 O VAL A 62 9.238 -5.998 5.249 1.00 0.00 O ATOM 878 CB VAL A 62 6.138 -5.565 6.265 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.580 -4.140 6.623 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.603 -5.566 4.831 1.00 0.00 C ATOM 0 H VAL A 62 6.570 -6.879 8.378 1.00 0.00 H new ATOM 0 HA VAL A 62 7.159 -7.296 5.550 1.00 0.00 H new ATOM 0 HB VAL A 62 5.366 -5.845 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.742 -3.456 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.914 -4.112 7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.399 -3.838 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.822 -4.812 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.415 -5.339 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.191 -6.548 4.597 1.00 0.00 H new ATOM 890 N SER A 63 9.264 -5.657 7.466 1.00 0.00 N ATOM 891 CA SER A 63 10.658 -5.259 7.542 1.00 0.00 C ATOM 892 C SER A 63 11.504 -6.429 7.081 1.00 0.00 C ATOM 893 O SER A 63 12.362 -6.223 6.226 1.00 0.00 O ATOM 894 CB SER A 63 11.062 -4.798 8.951 1.00 0.00 C ATOM 895 OG SER A 63 10.714 -3.439 9.175 1.00 0.00 O ATOM 0 H SER A 63 8.775 -5.598 8.359 1.00 0.00 H new ATOM 0 HA SER A 63 10.819 -4.397 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.573 -5.427 9.695 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.136 -4.926 9.082 1.00 0.00 H new ATOM 0 HG SER A 63 10.983 -3.177 10.080 1.00 0.00 H new ATOM 901 N ASP A 64 11.227 -7.644 7.569 1.00 0.00 N ATOM 902 CA ASP A 64 11.922 -8.835 7.097 1.00 0.00 C ATOM 903 C ASP A 64 11.734 -9.016 5.595 1.00 0.00 C ATOM 904 O ASP A 64 12.724 -9.135 4.871 1.00 0.00 O ATOM 905 CB ASP A 64 11.456 -10.093 7.831 1.00 0.00 C ATOM 906 CG ASP A 64 12.416 -11.231 7.490 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.599 -11.097 7.891 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.993 -12.222 6.859 1.00 0.00 O ATOM 0 H ASP A 64 10.527 -7.822 8.289 1.00 0.00 H new ATOM 0 HA ASP A 64 12.981 -8.690 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.439 -9.920 8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.440 -10.352 7.534 1.00 0.00 H new ATOM 913 N LEU A 65 10.479 -8.954 5.124 1.00 0.00 N ATOM 914 CA LEU A 65 10.139 -9.199 3.730 1.00 0.00 C ATOM 915 C LEU A 65 10.911 -8.270 2.799 1.00 0.00 C ATOM 916 O LEU A 65 11.438 -8.705 1.778 1.00 0.00 O ATOM 917 CB LEU A 65 8.627 -9.009 3.501 1.00 0.00 C ATOM 918 CG LEU A 65 8.182 -9.841 2.293 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.899 -11.274 2.753 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.937 -9.263 1.621 1.00 0.00 C ATOM 0 H LEU A 65 9.674 -8.731 5.709 1.00 0.00 H new ATOM 0 HA LEU A 65 10.415 -10.229 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.073 -9.314 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.404 -7.956 3.332 1.00 0.00 H new ATOM 0 HG LEU A 65 8.986 -9.824 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.582 -11.874 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.804 -11.704 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.110 -11.266 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.660 -9.886 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.115 -9.239 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.147 -8.251 1.276 1.00 0.00 H new ATOM 932 N LEU A 66 10.950 -6.985 3.153 1.00 0.00 N ATOM 933 CA LEU A 66 11.599 -5.947 2.372 1.00 0.00 C ATOM 934 C LEU A 66 13.116 -6.014 2.507 1.00 0.00 C ATOM 935 O LEU A 66 13.839 -5.678 1.571 1.00 0.00 O ATOM 936 CB LEU A 66 11.063 -4.577 2.824 1.00 0.00 C ATOM 937 CG LEU A 66 9.597 -4.335 2.414 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.068 -3.024 2.991 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.484 -4.298 0.895 1.00 0.00 C ATOM 0 H LEU A 66 10.520 -6.636 4.010 1.00 0.00 H new ATOM 0 HA LEU A 66 11.370 -6.098 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.148 -4.500 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.687 -3.791 2.399 1.00 0.00 H new ATOM 0 HG LEU A 66 8.998 -5.154 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.032 -2.883 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.122 -3.057 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.672 -2.195 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.446 -4.127 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.105 -3.492 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.821 -5.249 0.482 1.00 0.00 H new ATOM 951 N SER A 67 13.597 -6.392 3.682 1.00 0.00 N ATOM 952 CA SER A 67 15.012 -6.466 4.013 1.00 0.00 C ATOM 953 C SER A 67 15.672 -7.586 3.223 1.00 0.00 C ATOM 954 O SER A 67 16.675 -7.333 2.549 1.00 0.00 O ATOM 955 CB SER A 67 15.196 -6.658 5.523 1.00 0.00 C ATOM 956 OG SER A 67 16.557 -6.650 5.901 1.00 0.00 O ATOM 0 H SER A 67 12.993 -6.665 4.457 1.00 0.00 H new ATOM 0 HA SER A 67 15.496 -5.529 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.669 -5.866 6.055 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.742 -7.602 5.825 1.00 0.00 H new ATOM 0 HG SER A 67 16.628 -6.774 6.871 1.00 0.00 H new ATOM 962 N ARG A 68 15.161 -8.814 3.328 1.00 0.00 N ATOM 963 CA ARG A 68 15.792 -9.987 2.741 1.00 0.00 C ATOM 964 C ARG A 68 14.720 -10.856 2.092 1.00 0.00 C ATOM 965 O ARG A 68 14.405 -11.931 2.609 1.00 0.00 O ATOM 966 CB ARG A 68 16.615 -10.744 3.797 1.00 0.00 C ATOM 967 CG ARG A 68 17.745 -9.899 4.414 1.00 0.00 C ATOM 968 CD ARG A 68 18.753 -10.813 5.120 1.00 0.00 C ATOM 969 NE ARG A 68 20.063 -10.842 4.449 1.00 0.00 N ATOM 970 CZ ARG A 68 20.830 -11.926 4.272 1.00 0.00 C ATOM 971 NH1 ARG A 68 20.553 -13.081 4.879 1.00 0.00 N ATOM 972 NH2 ARG A 68 21.888 -11.842 3.477 1.00 0.00 N ATOM 0 H ARG A 68 14.294 -9.019 3.825 1.00 0.00 H new ATOM 0 HA ARG A 68 16.495 -9.687 1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.950 -11.082 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.046 -11.635 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.246 -9.322 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.330 -9.184 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.884 -10.476 6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.350 -11.825 5.165 1.00 0.00 H new ATOM 0 HE ARG A 68 20.419 -9.957 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.742 -13.152 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.152 -13.893 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.107 -10.961 3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.483 -12.658 3.331 1.00 0.00 H new ATOM 986 N PRO A 69 14.154 -10.429 0.949 1.00 0.00 N ATOM 987 CA PRO A 69 13.171 -11.230 0.244 1.00 0.00 C ATOM 988 C PRO A 69 13.804 -12.557 -0.172 1.00 0.00 C ATOM 989 O PRO A 69 14.873 -12.589 -0.795 1.00 0.00 O ATOM 990 CB PRO A 69 12.733 -10.389 -0.954 1.00 0.00 C ATOM 991 CG PRO A 69 13.919 -9.469 -1.204 1.00 0.00 C ATOM 992 CD PRO A 69 14.440 -9.205 0.208 1.00 0.00 C ATOM 0 HA PRO A 69 12.306 -11.482 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.519 -11.011 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.827 -9.824 -0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.673 -9.942 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.619 -8.548 -1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.508 -8.988 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.943 -8.346 0.658 1.00 0.00 H new ATOM 1000 N LYS A 70 13.127 -13.663 0.137 1.00 0.00 N ATOM 1001 CA LYS A 70 13.393 -14.936 -0.518 1.00 0.00 C ATOM 1002 C LYS A 70 13.063 -14.782 -2.014 1.00 0.00 C ATOM 1003 O LYS A 70 12.285 -13.895 -2.389 1.00 0.00 O ATOM 1004 CB LYS A 70 12.606 -16.054 0.193 1.00 0.00 C ATOM 1005 CG LYS A 70 13.435 -16.609 1.368 1.00 0.00 C ATOM 1006 CD LYS A 70 12.623 -17.485 2.336 1.00 0.00 C ATOM 1007 CE LYS A 70 11.963 -16.661 3.452 1.00 0.00 C ATOM 1008 NZ LYS A 70 12.884 -16.370 4.574 1.00 0.00 N ATOM 0 H LYS A 70 12.389 -13.699 0.840 1.00 0.00 H new ATOM 0 HA LYS A 70 14.442 -15.224 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.655 -15.666 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.375 -16.853 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.265 -17.194 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.868 -15.776 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.854 -18.021 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.277 -18.235 2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.597 -15.722 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.096 -17.201 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.386 -15.812 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.214 -17.263 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.700 -15.830 4.222 1.00 0.00 H new ATOM 1022 N PRO A 71 13.666 -15.600 -2.887 1.00 0.00 N ATOM 1023 CA PRO A 71 13.507 -15.430 -4.324 1.00 0.00 C ATOM 1024 C PRO A 71 12.135 -15.921 -4.772 1.00 0.00 C ATOM 1025 O PRO A 71 11.510 -16.738 -4.090 1.00 0.00 O ATOM 1026 CB PRO A 71 14.633 -16.250 -4.945 1.00 0.00 C ATOM 1027 CG PRO A 71 14.904 -17.340 -3.931 1.00 0.00 C ATOM 1028 CD PRO A 71 14.590 -16.684 -2.588 1.00 0.00 C ATOM 0 HA PRO A 71 13.563 -14.385 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.337 -16.667 -5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.519 -15.640 -5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.275 -18.213 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.939 -17.679 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.144 -17.400 -1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.497 -16.307 -2.115 1.00 0.00 H new ATOM 1036 N TRP A 72 11.700 -15.486 -5.953 1.00 0.00 N ATOM 1037 CA TRP A 72 10.415 -15.857 -6.528 1.00 0.00 C ATOM 1038 C TRP A 72 10.258 -17.378 -6.569 1.00 0.00 C ATOM 1039 O TRP A 72 9.253 -17.913 -6.098 1.00 0.00 O ATOM 1040 CB TRP A 72 10.295 -15.237 -7.920 1.00 0.00 C ATOM 1041 CG TRP A 72 8.984 -15.482 -8.588 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.763 -16.414 -9.537 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.715 -14.788 -8.405 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.468 -16.309 -9.992 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.772 -15.335 -9.321 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.270 -13.730 -7.584 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.458 -14.866 -9.425 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 5.946 -13.253 -7.670 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.046 -13.816 -8.595 1.00 0.00 C ATOM 0 H TRP A 72 12.242 -14.856 -6.544 1.00 0.00 H new ATOM 0 HA TRP A 72 9.608 -15.473 -5.904 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.455 -14.162 -7.841 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.091 -15.632 -8.551 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.490 -17.132 -9.886 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.074 -16.884 -10.736 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.953 -13.279 -6.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.773 -15.307 -10.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.621 -12.452 -7.023 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.037 -13.438 -8.664 1.00 0.00 H new ATOM 1060 N HIS A 73 11.280 -18.094 -7.044 1.00 0.00 N ATOM 1061 CA HIS A 73 11.231 -19.545 -7.169 1.00 0.00 C ATOM 1062 C HIS A 73 11.068 -20.275 -5.827 1.00 0.00 C ATOM 1063 O HIS A 73 10.589 -21.409 -5.804 1.00 0.00 O ATOM 1064 CB HIS A 73 12.478 -20.051 -7.902 1.00 0.00 C ATOM 1065 CG HIS A 73 13.715 -20.154 -7.048 1.00 0.00 C ATOM 1066 ND1 HIS A 73 14.796 -19.307 -7.031 1.00 0.00 N ATOM 1067 CD2 HIS A 73 13.972 -21.163 -6.163 1.00 0.00 C ATOM 1068 CE1 HIS A 73 15.678 -19.799 -6.146 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.225 -20.940 -5.592 1.00 0.00 N ATOM 0 H HIS A 73 12.161 -17.681 -7.351 1.00 0.00 H new ATOM 0 HA HIS A 73 10.337 -19.775 -7.749 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.261 -21.033 -8.323 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.686 -19.384 -8.739 1.00 0.00 H new ATOM 0 HD1 HIS A 73 14.908 -18.460 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.316 -21.992 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.626 -19.340 -5.909 1.00 0.00 H new ATOM 1077 N LYS A 74 11.518 -19.680 -4.713 1.00 0.00 N ATOM 1078 CA LYS A 74 11.398 -20.277 -3.379 1.00 0.00 C ATOM 1079 C LYS A 74 9.985 -20.104 -2.859 1.00 0.00 C ATOM 1080 O LYS A 74 9.514 -20.927 -2.075 1.00 0.00 O ATOM 1081 CB LYS A 74 12.379 -19.601 -2.401 1.00 0.00 C ATOM 1082 CG LYS A 74 13.795 -20.161 -2.557 1.00 0.00 C ATOM 1083 CD LYS A 74 14.068 -21.458 -1.808 1.00 0.00 C ATOM 1084 CE LYS A 74 15.452 -21.960 -2.244 1.00 0.00 C ATOM 1085 NZ LYS A 74 15.646 -23.401 -1.994 1.00 0.00 N ATOM 0 H LYS A 74 11.976 -18.769 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 74 11.635 -21.338 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.389 -18.526 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.037 -19.752 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.988 -20.325 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.505 -19.408 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.042 -21.292 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.302 -22.200 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.587 -21.760 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.220 -21.398 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.597 -23.683 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.546 -23.593 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.932 -23.944 -2.521 1.00 0.00 H new ATOM 1099 N LEU A 75 9.360 -18.988 -3.195 1.00 0.00 N ATOM 1100 CA LEU A 75 8.069 -18.605 -2.680 1.00 0.00 C ATOM 1101 C LEU A 75 7.019 -19.399 -3.446 1.00 0.00 C ATOM 1102 O LEU A 75 7.019 -19.394 -4.671 1.00 0.00 O ATOM 1103 CB LEU A 75 7.910 -17.097 -2.893 1.00 0.00 C ATOM 1104 CG LEU A 75 8.884 -16.244 -2.058 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.882 -14.837 -2.636 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.528 -16.199 -0.569 1.00 0.00 C ATOM 0 H LEU A 75 9.751 -18.311 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 75 7.960 -18.816 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.058 -16.871 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.888 -16.811 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 75 9.872 -16.701 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.564 -14.208 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.205 -14.871 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.875 -14.423 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.254 -15.582 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.532 -15.774 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.544 -17.209 -0.160 1.00 0.00 H new ATOM 1118 N SER A 76 6.110 -20.057 -2.735 1.00 0.00 N ATOM 1119 CA SER A 76 4.868 -20.577 -3.309 1.00 0.00 C ATOM 1120 C SER A 76 3.924 -19.410 -3.648 1.00 0.00 C ATOM 1121 O SER A 76 4.251 -18.268 -3.338 1.00 0.00 O ATOM 1122 CB SER A 76 4.210 -21.473 -2.261 1.00 0.00 C ATOM 1123 OG SER A 76 5.075 -22.481 -1.780 1.00 0.00 O ATOM 0 H SER A 76 6.212 -20.247 -1.738 1.00 0.00 H new ATOM 0 HA SER A 76 5.076 -21.137 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.874 -20.860 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.323 -21.937 -2.692 1.00 0.00 H new ATOM 0 HG SER A 76 4.841 -22.698 -0.853 1.00 0.00 H new ATOM 1129 N LEU A 77 2.714 -19.659 -4.165 1.00 0.00 N ATOM 1130 CA LEU A 77 1.658 -18.647 -4.330 1.00 0.00 C ATOM 1131 C LEU A 77 1.515 -17.795 -3.065 1.00 0.00 C ATOM 1132 O LEU A 77 1.681 -16.581 -3.098 1.00 0.00 O ATOM 1133 CB LEU A 77 0.301 -19.289 -4.667 1.00 0.00 C ATOM 1134 CG LEU A 77 0.210 -20.022 -6.014 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -1.225 -20.513 -6.201 1.00 0.00 C ATOM 1136 CD2 LEU A 77 0.589 -19.132 -7.196 1.00 0.00 C ATOM 0 H LEU A 77 2.435 -20.586 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 77 1.957 -18.011 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.051 -19.996 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.460 -18.509 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 77 0.918 -20.850 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.309 -21.037 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.486 -21.192 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.905 -19.661 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.507 -19.702 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.083 -18.275 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.615 -18.783 -7.075 1.00 0.00 H new ATOM 1148 N LYS A 78 1.305 -18.444 -1.920 1.00 0.00 N ATOM 1149 CA LYS A 78 1.225 -17.823 -0.599 1.00 0.00 C ATOM 1150 C LYS A 78 2.463 -17.001 -0.225 1.00 0.00 C ATOM 1151 O LYS A 78 2.371 -16.079 0.578 1.00 0.00 O ATOM 1152 CB LYS A 78 0.856 -18.847 0.490 1.00 0.00 C ATOM 1153 CG LYS A 78 1.464 -20.255 0.384 1.00 0.00 C ATOM 1154 CD LYS A 78 0.749 -21.205 -0.603 1.00 0.00 C ATOM 1155 CE LYS A 78 0.916 -22.699 -0.272 1.00 0.00 C ATOM 1156 NZ LYS A 78 2.317 -23.180 -0.285 1.00 0.00 N ATOM 0 H LYS A 78 1.181 -19.456 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 78 0.411 -17.100 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.144 -18.429 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.229 -18.950 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.507 -20.162 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.457 -20.712 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.314 -20.964 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.131 -21.022 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.489 -22.890 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.338 -23.283 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.396 -24.036 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.599 -23.402 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.941 -22.441 0.096 1.00 0.00 H new ATOM 1170 N GLY A 79 3.611 -17.323 -0.812 1.00 0.00 N ATOM 1171 CA GLY A 79 4.849 -16.571 -0.717 1.00 0.00 C ATOM 1172 C GLY A 79 4.892 -15.358 -1.634 1.00 0.00 C ATOM 1173 O GLY A 79 5.507 -14.352 -1.294 1.00 0.00 O ATOM 0 H GLY A 79 3.704 -18.156 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.988 -16.243 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.684 -17.229 -0.958 1.00 0.00 H new ATOM 1177 N ARG A 80 4.296 -15.465 -2.814 1.00 0.00 N ATOM 1178 CA ARG A 80 4.398 -14.501 -3.902 1.00 0.00 C ATOM 1179 C ARG A 80 3.309 -13.446 -3.801 1.00 0.00 C ATOM 1180 O ARG A 80 3.534 -12.331 -4.259 1.00 0.00 O ATOM 1181 CB ARG A 80 4.278 -15.269 -5.220 1.00 0.00 C ATOM 1182 CG ARG A 80 5.474 -16.194 -5.463 1.00 0.00 C ATOM 1183 CD ARG A 80 5.144 -17.146 -6.629 1.00 0.00 C ATOM 1184 NE ARG A 80 6.274 -18.029 -6.930 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.554 -18.700 -8.051 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.752 -18.677 -9.111 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.671 -19.413 -8.065 1.00 0.00 N ATOM 0 H ARG A 80 3.702 -16.260 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 80 5.355 -13.982 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.361 -15.858 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.195 -14.561 -6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.362 -15.607 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.697 -16.766 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.269 -17.745 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.888 -16.565 -7.515 1.00 0.00 H new ATOM 0 HE ARG A 80 6.946 -18.149 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.889 -18.134 -9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.000 -19.202 -9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.274 -19.432 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.928 -19.942 -8.898 1.00 0.00 H new ATOM 1201 N GLU A 81 2.185 -13.773 -3.155 1.00 0.00 N ATOM 1202 CA GLU A 81 1.060 -12.900 -2.843 1.00 0.00 C ATOM 1203 C GLU A 81 1.525 -11.473 -2.530 1.00 0.00 C ATOM 1204 O GLU A 81 1.147 -10.546 -3.255 1.00 0.00 O ATOM 1205 CB GLU A 81 0.255 -13.492 -1.661 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.112 -14.104 -1.972 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.493 -15.153 -0.912 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.467 -14.839 0.306 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.786 -16.317 -1.277 1.00 0.00 O ATOM 0 H GLU A 81 2.032 -14.722 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 81 0.415 -12.841 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.867 -14.260 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.110 -12.702 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.868 -13.320 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.093 -14.567 -2.959 1.00 0.00 H new ATOM 1216 N PRO A 82 2.354 -11.244 -1.499 1.00 0.00 N ATOM 1217 CA PRO A 82 2.680 -9.883 -1.144 1.00 0.00 C ATOM 1218 C PRO A 82 3.486 -9.210 -2.259 1.00 0.00 C ATOM 1219 O PRO A 82 3.155 -8.097 -2.638 1.00 0.00 O ATOM 1220 CB PRO A 82 3.419 -9.957 0.196 1.00 0.00 C ATOM 1221 CG PRO A 82 3.953 -11.387 0.253 1.00 0.00 C ATOM 1222 CD PRO A 82 2.924 -12.185 -0.544 1.00 0.00 C ATOM 0 HA PRO A 82 1.794 -9.259 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.228 -9.228 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.750 -9.748 1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.947 -11.462 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.031 -11.745 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.391 -13.027 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.154 -12.595 0.110 1.00 0.00 H new ATOM 1230 N PHE A 83 4.498 -9.864 -2.835 1.00 0.00 N ATOM 1231 CA PHE A 83 5.334 -9.264 -3.877 1.00 0.00 C ATOM 1232 C PHE A 83 4.537 -8.906 -5.133 1.00 0.00 C ATOM 1233 O PHE A 83 4.805 -7.871 -5.736 1.00 0.00 O ATOM 1234 CB PHE A 83 6.507 -10.186 -4.219 1.00 0.00 C ATOM 1235 CG PHE A 83 7.384 -10.509 -3.032 1.00 0.00 C ATOM 1236 CD1 PHE A 83 8.407 -9.623 -2.656 1.00 0.00 C ATOM 1237 CD2 PHE A 83 7.160 -11.678 -2.285 1.00 0.00 C ATOM 1238 CE1 PHE A 83 9.191 -9.906 -1.529 1.00 0.00 C ATOM 1239 CE2 PHE A 83 7.965 -11.972 -1.172 1.00 0.00 C ATOM 1240 CZ PHE A 83 8.995 -11.093 -0.804 1.00 0.00 C ATOM 0 H PHE A 83 4.760 -10.820 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 83 5.725 -8.329 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.119 -11.115 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.114 -9.717 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.589 -8.728 -3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.366 -12.353 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.952 -9.206 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.792 -12.872 -0.601 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.635 -11.328 0.034 1.00 0.00 H new ATOM 1250 N VAL A 84 3.543 -9.710 -5.509 1.00 0.00 N ATOM 1251 CA VAL A 84 2.614 -9.378 -6.584 1.00 0.00 C ATOM 1252 C VAL A 84 1.813 -8.134 -6.194 1.00 0.00 C ATOM 1253 O VAL A 84 1.756 -7.189 -6.977 1.00 0.00 O ATOM 1254 CB VAL A 84 1.729 -10.602 -6.869 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.497 -10.307 -7.739 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.524 -11.724 -7.524 1.00 0.00 C ATOM 0 H VAL A 84 3.360 -10.614 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 84 3.143 -9.137 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 84 1.370 -10.907 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.070 -11.225 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.132 -9.570 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.818 -9.916 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.867 -12.574 -7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.940 -11.372 -8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.334 -12.030 -6.862 1.00 0.00 H new ATOM 1266 N ARG A 85 1.209 -8.094 -4.994 1.00 0.00 N ATOM 1267 CA ARG A 85 0.479 -6.910 -4.548 1.00 0.00 C ATOM 1268 C ARG A 85 1.387 -5.676 -4.602 1.00 0.00 C ATOM 1269 O ARG A 85 0.949 -4.632 -5.071 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.063 -7.090 -3.126 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.349 -7.915 -3.066 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.734 -8.123 -1.601 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.150 -8.486 -1.445 1.00 0.00 N ATOM 1274 CZ ARG A 85 -3.676 -9.166 -0.421 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -2.903 -9.608 0.564 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -4.980 -9.405 -0.397 1.00 0.00 N ATOM 0 H ARG A 85 1.215 -8.864 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.367 -6.769 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.698 -7.573 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.249 -6.109 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.151 -7.403 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.204 -8.877 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.110 -8.907 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.531 -7.210 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.789 -8.193 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.899 -9.430 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.313 -10.126 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.574 -9.071 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.389 -9.923 0.380 1.00 0.00 H new ATOM 1290 N MET A 86 2.641 -5.778 -4.144 1.00 0.00 N ATOM 1291 CA MET A 86 3.628 -4.714 -4.209 1.00 0.00 C ATOM 1292 C MET A 86 3.841 -4.264 -5.647 1.00 0.00 C ATOM 1293 O MET A 86 3.811 -3.068 -5.901 1.00 0.00 O ATOM 1294 CB MET A 86 4.952 -5.183 -3.598 1.00 0.00 C ATOM 1295 CG MET A 86 4.847 -5.411 -2.090 1.00 0.00 C ATOM 1296 SD MET A 86 6.387 -5.230 -1.160 1.00 0.00 S ATOM 1297 CE MET A 86 7.036 -6.867 -1.447 1.00 0.00 C ATOM 0 H MET A 86 2.998 -6.628 -3.708 1.00 0.00 H new ATOM 0 HA MET A 86 3.256 -3.865 -3.636 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.265 -6.108 -4.082 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.725 -4.441 -3.798 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.116 -4.711 -1.686 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.457 -6.414 -1.919 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.927 -7.017 -0.837 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.283 -7.609 -1.180 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.295 -6.976 -2.500 1.00 0.00 H new ATOM 1307 N GLN A 87 4.056 -5.193 -6.580 1.00 0.00 N ATOM 1308 CA GLN A 87 4.265 -4.866 -7.981 1.00 0.00 C ATOM 1309 C GLN A 87 3.071 -4.091 -8.559 1.00 0.00 C ATOM 1310 O GLN A 87 3.267 -3.060 -9.203 1.00 0.00 O ATOM 1311 CB GLN A 87 4.575 -6.146 -8.777 1.00 0.00 C ATOM 1312 CG GLN A 87 4.977 -5.889 -10.241 1.00 0.00 C ATOM 1313 CD GLN A 87 6.353 -5.237 -10.366 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.592 -4.154 -9.843 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.301 -5.868 -11.035 1.00 0.00 N ATOM 0 H GLN A 87 4.089 -6.193 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 87 5.127 -4.204 -8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.380 -6.686 -8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.699 -6.794 -8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.976 -6.833 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.231 -5.248 -10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.104 -6.769 -11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.230 -5.454 -11.116 1.00 0.00 H new ATOM 1324 N LEU A 88 1.836 -4.562 -8.350 1.00 0.00 N ATOM 1325 CA LEU A 88 0.654 -3.866 -8.862 1.00 0.00 C ATOM 1326 C LEU A 88 0.461 -2.519 -8.170 1.00 0.00 C ATOM 1327 O LEU A 88 0.045 -1.562 -8.829 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.633 -4.702 -8.717 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.913 -5.738 -9.824 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.826 -5.161 -11.244 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.005 -6.952 -9.714 1.00 0.00 C ATOM 0 H LEU A 88 1.632 -5.417 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 88 0.836 -3.706 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.593 -5.226 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.480 -4.018 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.945 -6.048 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.035 -5.947 -11.970 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.557 -4.360 -11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.175 -4.766 -11.415 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.226 -7.657 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.043 -6.632 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.145 -7.436 -8.749 1.00 0.00 H new ATOM 1343 N TRP A 89 0.787 -2.419 -6.877 1.00 0.00 N ATOM 1344 CA TRP A 89 0.712 -1.179 -6.129 1.00 0.00 C ATOM 1345 C TRP A 89 1.691 -0.196 -6.760 1.00 0.00 C ATOM 1346 O TRP A 89 1.312 0.910 -7.110 1.00 0.00 O ATOM 1347 CB TRP A 89 1.009 -1.466 -4.650 1.00 0.00 C ATOM 1348 CG TRP A 89 0.917 -0.287 -3.739 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.212 0.146 -3.140 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.975 0.608 -3.284 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.063 1.267 -2.394 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.403 1.563 -2.394 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.362 0.701 -3.524 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.160 2.543 -1.747 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.142 1.684 -2.878 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.544 2.600 -1.987 1.00 0.00 C ATOM 0 H TRP A 89 1.113 -3.211 -6.323 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.282 -0.734 -6.166 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.315 -2.230 -4.299 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.012 -1.886 -4.573 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.183 -0.317 -3.233 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.643 1.813 -1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.832 0.012 -4.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.690 3.245 -1.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.204 1.735 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.149 3.344 -1.490 1.00 0.00 H new ATOM 1367 N LEU A 90 2.927 -0.627 -7.011 1.00 0.00 N ATOM 1368 CA LEU A 90 3.957 0.164 -7.674 1.00 0.00 C ATOM 1369 C LEU A 90 3.607 0.585 -9.100 1.00 0.00 C ATOM 1370 O LEU A 90 4.339 1.382 -9.680 1.00 0.00 O ATOM 1371 CB LEU A 90 5.251 -0.650 -7.724 1.00 0.00 C ATOM 1372 CG LEU A 90 6.020 -0.649 -6.403 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.202 -1.602 -6.586 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.465 0.770 -6.013 1.00 0.00 C ATOM 0 H LEU A 90 3.245 -1.561 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 90 4.059 1.078 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.014 -1.678 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.893 -0.251 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 90 5.390 -0.986 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.786 -1.638 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.832 -2.600 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.832 -1.248 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.009 0.734 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.113 1.175 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.589 1.409 -5.903 1.00 0.00 H new ATOM 1386 N ASN A 91 2.548 0.039 -9.694 1.00 0.00 N ATOM 1387 CA ASN A 91 2.070 0.445 -11.007 1.00 0.00 C ATOM 1388 C ASN A 91 0.847 1.359 -10.900 1.00 0.00 C ATOM 1389 O ASN A 91 0.450 1.935 -11.913 1.00 0.00 O ATOM 1390 CB ASN A 91 1.763 -0.798 -11.863 1.00 0.00 C ATOM 1391 CG ASN A 91 3.011 -1.364 -12.527 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.206 -1.207 -13.730 1.00 0.00 O ATOM 1393 ND2 ASN A 91 3.878 -2.045 -11.796 1.00 0.00 N ATOM 0 H ASN A 91 1.994 -0.705 -9.270 1.00 0.00 H new ATOM 0 HA ASN A 91 2.857 1.019 -11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.308 -1.565 -11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.033 -0.538 -12.629 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.711 -2.441 -12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.713 -2.174 -10.798 1.00 0.00 H new ATOM 1400 N ASP A 92 0.190 1.472 -9.743 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.046 2.249 -9.599 1.00 0.00 C ATOM 1402 C ASP A 92 -0.727 3.748 -9.497 1.00 0.00 C ATOM 1403 O ASP A 92 0.256 4.103 -8.844 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.813 1.797 -8.349 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.241 2.300 -8.400 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -4.115 1.589 -8.935 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.515 3.400 -7.869 1.00 0.00 O ATOM 0 H ASP A 92 0.499 1.028 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.665 2.078 -10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.805 0.709 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.319 2.175 -7.454 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.514 4.649 -10.109 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.266 6.088 -10.035 1.00 0.00 C ATOM 1414 C PRO A 93 -1.567 6.676 -8.651 1.00 0.00 C ATOM 1415 O PRO A 93 -0.907 7.626 -8.234 1.00 0.00 O ATOM 1416 CB PRO A 93 -2.147 6.709 -11.119 1.00 0.00 C ATOM 1417 CG PRO A 93 -3.272 5.695 -11.316 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.634 4.360 -10.989 1.00 0.00 C ATOM 0 HA PRO A 93 -0.210 6.306 -10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.535 7.679 -10.809 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.589 6.869 -12.042 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.116 5.904 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.651 5.715 -12.338 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.349 3.696 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.297 3.857 -11.896 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.525 6.110 -7.913 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.943 6.592 -6.598 1.00 0.00 C ATOM 1428 C HIS A 94 -2.405 5.656 -5.515 1.00 0.00 C ATOM 1429 O HIS A 94 -2.948 5.610 -4.415 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.472 6.764 -6.565 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.921 7.798 -7.574 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -4.773 9.167 -7.478 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.383 7.524 -8.833 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.143 9.700 -8.654 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.512 8.736 -9.520 1.00 0.00 N ATOM 0 H HIS A 94 -3.042 5.286 -8.221 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.521 7.577 -6.396 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.954 5.810 -6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.787 7.065 -5.566 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.442 9.681 -6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.608 6.544 -9.227 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.145 10.757 -8.875 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.343 4.895 -5.808 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.747 3.927 -4.893 1.00 0.00 C ATOM 1445 C ASN A 95 -0.352 4.594 -3.583 1.00 0.00 C ATOM 1446 O ASN A 95 -0.828 4.194 -2.518 1.00 0.00 O ATOM 1447 CB ASN A 95 0.445 3.205 -5.540 1.00 0.00 C ATOM 1448 CG ASN A 95 1.742 3.988 -5.648 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.763 5.075 -6.211 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.843 3.499 -5.107 1.00 0.00 N ATOM 0 H ASN A 95 -0.867 4.940 -6.709 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.498 3.170 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.643 2.297 -4.970 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.151 2.894 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.714 4.027 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.822 2.593 -4.639 1.00 0.00 H new ATOM 1457 N VAL A 96 0.472 5.640 -3.648 1.00 0.00 N ATOM 1458 CA VAL A 96 0.897 6.384 -2.490 1.00 0.00 C ATOM 1459 C VAL A 96 -0.309 7.080 -1.870 1.00 0.00 C ATOM 1460 O VAL A 96 -0.410 7.163 -0.653 1.00 0.00 O ATOM 1461 CB VAL A 96 1.952 7.423 -2.903 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.565 7.977 -1.634 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.098 6.879 -3.767 1.00 0.00 C ATOM 0 H VAL A 96 0.861 5.989 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 96 1.337 5.707 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 96 1.433 8.165 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.321 8.720 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.788 8.443 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.028 7.167 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.789 7.687 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.627 6.099 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.693 6.464 -4.690 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.211 7.605 -2.691 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.250 8.505 -2.225 1.00 0.00 C ATOM 1475 C GLU A 97 -3.259 7.768 -1.369 1.00 0.00 C ATOM 1476 O GLU A 97 -3.508 8.182 -0.240 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.931 9.186 -3.398 1.00 0.00 C ATOM 1478 CG GLU A 97 -1.924 9.853 -4.337 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.560 11.045 -5.034 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.693 10.893 -5.548 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -1.906 12.112 -4.988 1.00 0.00 O ATOM 0 H GLU A 97 -1.240 7.418 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.784 9.273 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.514 8.452 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.631 9.934 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.050 10.177 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.576 9.133 -5.078 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.765 6.629 -1.853 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.617 5.774 -1.042 1.00 0.00 C ATOM 1490 C LYS A 98 -3.874 5.333 0.213 1.00 0.00 C ATOM 1491 O LYS A 98 -4.467 5.291 1.285 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.138 4.565 -1.846 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.648 4.671 -2.113 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.022 5.394 -3.407 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.728 4.479 -4.597 1.00 0.00 C ATOM 1496 NZ LYS A 98 -7.775 4.537 -5.632 1.00 0.00 N ATOM 0 H LYS A 98 -3.597 6.285 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.491 6.350 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.604 4.500 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.928 3.646 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.069 3.666 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.115 5.190 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.078 5.666 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.455 6.321 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.771 4.759 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.628 3.452 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.526 3.899 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.685 4.244 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.855 5.510 -5.991 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.570 5.053 0.119 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.790 4.663 1.285 1.00 0.00 C ATOM 1512 C LEU A 99 -1.709 5.810 2.300 1.00 0.00 C ATOM 1513 O LEU A 99 -1.757 5.571 3.505 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.400 4.163 0.859 1.00 0.00 C ATOM 1515 CG LEU A 99 0.481 3.771 2.055 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.129 2.633 2.852 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.846 3.283 1.581 1.00 0.00 C ATOM 0 H LEU A 99 -2.039 5.091 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.295 3.836 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.514 3.303 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.101 4.941 0.284 1.00 0.00 H new ATOM 0 HG LEU A 99 0.569 4.664 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.523 2.385 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.105 2.936 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.244 1.760 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.455 3.010 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.718 2.413 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.343 4.077 1.023 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.596 7.062 1.856 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.708 8.218 2.718 1.00 0.00 C ATOM 1531 C ARG A 100 -3.103 8.253 3.328 1.00 0.00 C ATOM 1532 O ARG A 100 -3.207 8.313 4.549 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.385 9.503 1.924 1.00 0.00 C ATOM 1534 CG ARG A 100 -0.181 10.197 2.562 1.00 0.00 C ATOM 1535 CD ARG A 100 0.246 11.497 1.867 1.00 0.00 C ATOM 1536 NE ARG A 100 -0.792 12.541 1.852 1.00 0.00 N ATOM 1537 CZ ARG A 100 -1.559 12.921 0.820 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -1.586 12.268 -0.336 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -2.318 13.998 0.936 1.00 0.00 N ATOM 0 H ARG A 100 -1.423 7.294 0.878 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.986 8.154 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.170 9.258 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.247 10.171 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.414 10.417 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.662 9.506 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.132 11.889 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.532 11.270 0.840 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.946 13.034 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.007 11.439 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.186 12.596 -1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.316 14.532 1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.905 14.295 0.156 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.151 8.178 2.510 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.555 8.263 2.913 1.00 0.00 C ATOM 1555 C ASP A 101 -5.927 7.220 3.970 1.00 0.00 C ATOM 1556 O ASP A 101 -6.704 7.528 4.875 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.463 8.124 1.680 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.942 8.237 2.015 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.354 9.264 2.600 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.722 7.337 1.624 1.00 0.00 O ATOM 0 H ASP A 101 -4.041 8.051 1.504 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.704 9.242 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.201 8.894 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.276 7.161 1.205 1.00 0.00 H new ATOM 1565 N MET A 102 -5.322 6.025 3.936 1.00 0.00 N ATOM 1566 CA MET A 102 -5.454 4.989 4.966 1.00 0.00 C ATOM 1567 C MET A 102 -5.241 5.569 6.362 1.00 0.00 C ATOM 1568 O MET A 102 -6.029 5.294 7.268 1.00 0.00 O ATOM 1569 CB MET A 102 -4.459 3.850 4.734 1.00 0.00 C ATOM 1570 CG MET A 102 -4.782 2.986 3.519 1.00 0.00 C ATOM 1571 SD MET A 102 -5.930 1.627 3.853 1.00 0.00 S ATOM 1572 CE MET A 102 -6.033 0.914 2.189 1.00 0.00 C ATOM 0 H MET A 102 -4.710 5.746 3.169 1.00 0.00 H new ATOM 0 HA MET A 102 -6.468 4.595 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.461 4.271 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.433 3.217 5.621 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.205 3.620 2.740 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.854 2.573 3.125 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.291 -0.143 2.261 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.799 1.436 1.616 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.071 1.019 1.688 1.00 0.00 H new ATOM 1582 N LYS A 103 -4.190 6.371 6.547 1.00 0.00 N ATOM 1583 CA LYS A 103 -3.846 7.001 7.823 1.00 0.00 C ATOM 1584 C LYS A 103 -4.468 8.398 7.937 1.00 0.00 C ATOM 1585 O LYS A 103 -5.025 8.730 8.983 1.00 0.00 O ATOM 1586 CB LYS A 103 -2.312 7.039 7.926 1.00 0.00 C ATOM 1587 CG LYS A 103 -1.788 7.610 9.251 1.00 0.00 C ATOM 1588 CD LYS A 103 -0.281 7.882 9.167 1.00 0.00 C ATOM 1589 CE LYS A 103 0.173 8.711 10.373 1.00 0.00 C ATOM 1590 NZ LYS A 103 1.550 9.226 10.222 1.00 0.00 N ATOM 0 H LYS A 103 -3.540 6.606 5.797 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.252 6.425 8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.925 6.028 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.918 7.636 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.316 8.533 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.991 6.909 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.265 6.939 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.050 8.413 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.511 9.548 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.115 8.099 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.808 9.779 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.209 8.429 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.603 9.833 9.379 1.00 0.00 H new ATOM 1604 N LYS A 104 -4.349 9.209 6.881 1.00 0.00 N ATOM 1605 CA LYS A 104 -4.509 10.664 6.783 1.00 0.00 C ATOM 1606 C LYS A 104 -4.056 11.404 8.049 1.00 0.00 C ATOM 1607 O LYS A 104 -3.196 10.877 8.766 1.00 0.00 O ATOM 1608 CB LYS A 104 -5.866 11.046 6.179 1.00 0.00 C ATOM 1609 CG LYS A 104 -7.056 11.105 7.140 1.00 0.00 C ATOM 1610 CD LYS A 104 -8.106 10.026 6.887 1.00 0.00 C ATOM 1611 CE LYS A 104 -7.737 8.761 7.658 1.00 0.00 C ATOM 1612 NZ LYS A 104 -8.909 7.922 7.943 1.00 0.00 N ATOM 0 H LYS A 104 -4.111 8.817 5.970 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.801 11.048 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.764 12.022 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.101 10.331 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.690 11.010 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.528 12.084 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.089 10.380 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.169 9.809 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.012 8.186 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.253 9.037 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.610 7.075 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.591 8.461 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.357 7.636 7.049 1.00 0.00 H new ATOM 1626 N LEU A 105 -4.557 12.621 8.300 1.00 0.00 N ATOM 1627 CA LEU A 105 -4.398 13.383 9.544 1.00 0.00 C ATOM 1628 C LEU A 105 -2.977 13.290 10.119 1.00 0.00 C ATOM 1629 O LEU A 105 -2.760 12.835 11.246 1.00 0.00 O ATOM 1630 CB LEU A 105 -5.480 12.963 10.563 1.00 0.00 C ATOM 1631 CG LEU A 105 -6.909 13.433 10.235 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -7.870 12.869 11.281 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -7.038 14.957 10.236 1.00 0.00 C ATOM 0 H LEU A 105 -5.111 13.124 7.607 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.542 14.438 9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.481 11.876 10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.203 13.351 11.543 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.149 13.074 9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.885 13.197 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.828 11.780 11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.583 13.227 12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.065 15.235 9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.775 15.344 11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.366 15.380 9.489 1.00 0.00 H new ATOM 1645 N SER A 106 -1.984 13.671 9.319 1.00 0.00 N ATOM 1646 CA SER A 106 -0.612 13.834 9.752 1.00 0.00 C ATOM 1647 C SER A 106 0.068 14.816 8.800 1.00 0.00 C ATOM 1648 O SER A 106 -0.210 14.828 7.594 1.00 0.00 O ATOM 1649 CB SER A 106 0.093 12.469 9.782 1.00 0.00 C ATOM 1650 OG SER A 106 0.850 12.302 10.968 1.00 0.00 O ATOM 0 H SER A 106 -2.122 13.878 8.330 1.00 0.00 H new ATOM 0 HA SER A 106 -0.563 14.235 10.764 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.648 11.674 9.707 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.748 12.377 8.915 1.00 0.00 H new ATOM 0 HG SER A 106 1.697 11.858 10.755 1.00 0.00 H new ATOM 1656 N GLY A 107 0.954 15.641 9.357 1.00 0.00 N ATOM 1657 CA GLY A 107 1.619 16.731 8.663 1.00 0.00 C ATOM 1658 C GLY A 107 0.645 17.822 8.209 1.00 0.00 C ATOM 1659 O GLY A 107 -0.579 17.680 8.330 1.00 0.00 O ATOM 0 H GLY A 107 1.234 15.562 10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.370 17.170 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.146 16.336 7.795 1.00 0.00 H new ATOM 1663 N PRO A 108 1.158 18.916 7.628 1.00 0.00 N ATOM 1664 CA PRO A 108 0.362 19.883 6.885 1.00 0.00 C ATOM 1665 C PRO A 108 0.142 19.376 5.443 1.00 0.00 C ATOM 1666 O PRO A 108 0.250 20.140 4.486 1.00 0.00 O ATOM 1667 CB PRO A 108 1.195 21.158 6.973 1.00 0.00 C ATOM 1668 CG PRO A 108 2.609 20.616 6.787 1.00 0.00 C ATOM 1669 CD PRO A 108 2.570 19.256 7.492 1.00 0.00 C ATOM 0 HA PRO A 108 -0.643 20.049 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.927 21.877 6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.072 21.662 7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.863 20.513 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.353 21.277 7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.100 18.500 6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.055 19.307 8.467 1.00 0.00 H new ATOM 1677 N SER A 109 -0.075 18.064 5.282 1.00 0.00 N ATOM 1678 CA SER A 109 -0.069 17.356 4.011 1.00 0.00 C ATOM 1679 C SER A 109 -1.073 18.002 3.052 1.00 0.00 C ATOM 1680 O SER A 109 -0.666 18.443 1.973 1.00 0.00 O ATOM 1681 CB SER A 109 -0.322 15.865 4.298 1.00 0.00 C ATOM 1682 OG SER A 109 -0.458 15.078 3.136 1.00 0.00 O ATOM 0 H SER A 109 -0.267 17.448 6.072 1.00 0.00 H new ATOM 0 HA SER A 109 0.894 17.426 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.502 15.475 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.226 15.768 4.899 1.00 0.00 H new ATOM 0 HG SER A 109 0.386 14.614 2.955 1.00 0.00 H new ATOM 1688 N SER A 110 -2.335 18.133 3.475 1.00 0.00 N ATOM 1689 CA SER A 110 -3.485 18.547 2.677 1.00 0.00 C ATOM 1690 C SER A 110 -3.759 17.605 1.495 1.00 0.00 C ATOM 1691 O SER A 110 -2.932 16.767 1.123 1.00 0.00 O ATOM 1692 CB SER A 110 -3.332 20.014 2.245 1.00 0.00 C ATOM 1693 OG SER A 110 -3.521 20.883 3.352 1.00 0.00 O ATOM 0 H SER A 110 -2.592 17.940 4.443 1.00 0.00 H new ATOM 0 HA SER A 110 -4.372 18.475 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.342 20.171 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.057 20.247 1.465 1.00 0.00 H new ATOM 0 HG SER A 110 -3.418 21.813 3.059 1.00 0.00 H new ATOM 1699 N GLY A 111 -4.951 17.737 0.910 1.00 0.00 N ATOM 1700 CA GLY A 111 -5.484 16.874 -0.132 1.00 0.00 C ATOM 1701 C GLY A 111 -6.769 16.233 0.343 1.00 0.00 C ATOM 1702 O GLY A 111 -7.093 16.339 1.551 1.00 0.00 O ATOM 0 H GLY A 111 -5.596 18.484 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.668 17.452 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.756 16.105 -0.388 1.00 0.00 H new TER 1706 GLY A 111