USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 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 90 LYS NZ :NH3+ 158:sc= 1.16 (180deg=-0.384) USER MOD Set 1.2: A 93 ASN : amide:sc= 1.03 K(o=2.2,f=-8.1!) USER MOD Set 2.1: A 40 HIS : no HE2:sc= 2.11 K(o=3.3,f=-14!) USER MOD Set 2.2: A 85 SER OG : rot 179:sc= 1.23 USER MOD Set 3.1: A 37 HIS : no HE2:sc= -0.457 K(o=0.71,f=-1.5!) USER MOD Set 3.2: A 56 SER OG : rot 77:sc= 1.17 USER MOD Set 4.1: A 27 TYR OH : rot -179:sc= -0.688! USER MOD Set 4.2: A 98 LYS NZ :NH3+ -139:sc= 0.814 (180deg=-0.796) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.59 (180deg=1.32) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= 0.812 (180deg=-0.0301!) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 29 CYS SG : rot -67:sc= 1.26 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 2.25 (180deg=1.7) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 0.0993! (180deg=-0.767!) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -2.39! (180deg=-2.58!) USER MOD Single : A 48 SER OG : rot 75:sc= 0.00795 USER MOD Single : A 52 THR OG1 : rot 86:sc= -0.322! USER MOD Single : A 57 CYS SG : rot 44:sc= -0.0996 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0553 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00452 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.04 (180deg=0.995) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.959 (180deg=0.897) USER MOD Single : A 71 TYR OH : rot -90:sc= -0.505 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.711 F(o=-3.9!,f=-0.71) USER MOD Single : A 75 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.37) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 2.28 (180deg=2.23) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00385 USER MOD Single : A 92 GLN : amide:sc= 0.698 K(o=0.7,f=-0.09) USER MOD Single : A 97 GLN : amide:sc= -1.58! C(o=-1.6!,f=-6.5!) USER MOD Single : A 100 THR OG1 : rot 98:sc= 1.33 USER MOD Single : A 105 LYS NZ :NH3+ 173:sc= -2.2! (180deg=-2.31!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 110 LYS NZ :NH3+ -161:sc= 2.16 (180deg=0.895) USER MOD Single : A 113 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3.5!) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= 0.245! (180deg=-1.74!) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -14.250 3.180 9.763 1.00 0.00 N ATOM 32 CA ASP A 12 -15.365 2.202 9.617 1.00 0.00 C ATOM 33 C ASP A 12 -15.336 1.464 8.275 1.00 0.00 C ATOM 34 O ASP A 12 -15.526 0.239 8.214 1.00 0.00 O ATOM 35 CB ASP A 12 -16.726 2.913 9.774 1.00 0.00 C ATOM 36 CG ASP A 12 -17.905 2.031 9.370 1.00 0.00 C ATOM 37 OD1 ASP A 12 -18.328 1.187 10.167 1.00 0.00 O ATOM 38 OD2 ASP A 12 -18.405 2.163 8.234 1.00 0.00 O1- ATOM 0 HA ASP A 12 -15.231 1.462 10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.850 3.225 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.730 3.818 9.166 1.00 0.00 H new ATOM 43 N LEU A 13 -15.023 2.198 7.250 1.00 0.00 N ATOM 44 CA LEU A 13 -15.057 1.742 5.872 1.00 0.00 C ATOM 45 C LEU A 13 -13.764 1.074 5.488 1.00 0.00 C ATOM 46 O LEU A 13 -13.661 0.556 4.432 1.00 0.00 O ATOM 47 CB LEU A 13 -15.358 2.900 4.843 1.00 0.00 C ATOM 48 CG LEU A 13 -16.577 3.818 5.101 1.00 0.00 C ATOM 49 CD1 LEU A 13 -16.379 4.757 6.285 1.00 0.00 C ATOM 50 CD2 LEU A 13 -16.903 4.611 3.861 1.00 0.00 C ATOM 0 H LEU A 13 -14.724 3.169 7.342 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.877 1.026 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -14.472 3.533 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.487 2.446 3.861 1.00 0.00 H new ATOM 0 HG LEU A 13 -17.412 3.164 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -17.269 5.374 6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.210 4.172 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -15.517 5.398 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -17.762 5.253 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -16.046 5.225 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -17.137 3.929 3.044 1.00 0.00 H new ATOM 62 N THR A 14 -12.755 1.178 6.309 1.00 0.00 N ATOM 63 CA THR A 14 -11.449 0.784 5.880 1.00 0.00 C ATOM 64 C THR A 14 -10.876 -0.638 6.055 1.00 0.00 C ATOM 65 O THR A 14 -10.012 -0.997 5.290 1.00 0.00 O ATOM 66 CB THR A 14 -10.424 1.894 5.864 1.00 0.00 C ATOM 67 OG1 THR A 14 -10.496 2.638 7.076 1.00 0.00 O ATOM 68 CG2 THR A 14 -10.698 2.792 4.683 1.00 0.00 C ATOM 0 H THR A 14 -12.813 1.528 7.265 1.00 0.00 H new ATOM 0 HA THR A 14 -11.791 0.562 4.869 1.00 0.00 H new ATOM 0 HB THR A 14 -9.422 1.473 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.828 3.355 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.964 3.598 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.629 2.213 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.699 3.215 4.772 1.00 0.00 H new ATOM 76 N GLU A 15 -11.275 -1.451 7.030 1.00 0.00 N ATOM 77 CA GLU A 15 -10.646 -2.820 7.106 1.00 0.00 C ATOM 78 C GLU A 15 -10.824 -3.713 5.880 1.00 0.00 C ATOM 79 O GLU A 15 -10.084 -4.675 5.668 1.00 0.00 O ATOM 80 CB GLU A 15 -10.824 -3.553 8.409 1.00 0.00 C ATOM 81 CG GLU A 15 -9.752 -3.152 9.399 1.00 0.00 C ATOM 82 CD GLU A 15 -8.379 -3.134 8.716 1.00 0.00 C ATOM 83 OE1 GLU A 15 -7.904 -4.198 8.237 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -7.825 -2.035 8.539 1.00 0.00 O ATOM 0 H GLU A 15 -11.974 -1.236 7.741 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.589 -2.554 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.808 -3.335 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.782 -4.628 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.975 -2.167 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.741 -3.850 10.236 1.00 0.00 H new ATOM 91 N VAL A 16 -11.753 -3.342 5.070 1.00 0.00 N ATOM 92 CA VAL A 16 -11.960 -3.921 3.764 1.00 0.00 C ATOM 93 C VAL A 16 -10.747 -3.737 2.832 1.00 0.00 C ATOM 94 O VAL A 16 -10.582 -4.492 1.879 1.00 0.00 O ATOM 95 CB VAL A 16 -13.251 -3.492 3.087 1.00 0.00 C ATOM 96 CG1 VAL A 16 -14.428 -4.303 3.636 1.00 0.00 C ATOM 97 CG2 VAL A 16 -13.460 -2.081 3.378 1.00 0.00 C ATOM 0 H VAL A 16 -12.419 -2.603 5.295 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.068 -4.988 3.958 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.184 -3.660 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.348 -3.988 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.260 -5.363 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.515 -4.137 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.382 -1.744 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.534 -1.939 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.621 -1.502 2.992 1.00 0.00 H new ATOM 107 N LYS A 17 -9.914 -2.677 3.127 1.00 0.00 N ATOM 108 CA LYS A 17 -8.728 -2.223 2.311 1.00 0.00 C ATOM 109 C LYS A 17 -7.944 -3.348 1.673 1.00 0.00 C ATOM 110 O LYS A 17 -7.456 -3.155 0.577 1.00 0.00 O ATOM 111 CB LYS A 17 -7.684 -1.433 3.161 1.00 0.00 C ATOM 112 CG LYS A 17 -7.962 0.034 3.493 1.00 0.00 C ATOM 113 CD LYS A 17 -6.830 0.657 4.363 1.00 0.00 C ATOM 114 CE LYS A 17 -6.972 0.419 5.901 1.00 0.00 C ATOM 115 NZ LYS A 17 -7.226 -0.979 6.271 1.00 0.00 N1+ ATOM 0 H LYS A 17 -10.054 -2.103 3.958 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.192 -1.601 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.555 -1.966 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.730 -1.477 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.064 0.602 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.912 0.113 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.874 0.250 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.799 1.731 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.060 0.754 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.786 1.037 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.223 -1.070 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.152 -1.274 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.483 -1.585 5.869 1.00 0.00 H new ATOM 129 N LYS A 18 -7.864 -4.518 2.348 1.00 0.00 N ATOM 130 CA LYS A 18 -7.105 -5.701 1.877 1.00 0.00 C ATOM 131 C LYS A 18 -7.220 -5.918 0.340 1.00 0.00 C ATOM 132 O LYS A 18 -6.241 -6.271 -0.311 1.00 0.00 O ATOM 133 CB LYS A 18 -7.628 -6.990 2.568 1.00 0.00 C ATOM 134 CG LYS A 18 -6.828 -7.574 3.773 1.00 0.00 C ATOM 135 CD LYS A 18 -6.939 -6.815 5.118 1.00 0.00 C ATOM 136 CE LYS A 18 -6.052 -5.586 5.200 1.00 0.00 C ATOM 137 NZ LYS A 18 -6.014 -5.012 6.600 1.00 0.00 N1+ ATOM 0 H LYS A 18 -8.329 -4.669 3.243 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.063 -5.508 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.643 -6.792 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.695 -7.768 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.157 -8.600 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.775 -7.617 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.976 -6.515 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.680 -7.494 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.041 -5.846 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.416 -4.828 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.101 -4.539 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.785 -4.323 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.130 -5.779 7.293 1.00 0.00 H new ATOM 151 N ASP A 19 -8.407 -5.688 -0.229 1.00 0.00 N ATOM 152 CA ASP A 19 -8.610 -5.947 -1.656 1.00 0.00 C ATOM 153 C ASP A 19 -8.318 -4.730 -2.594 1.00 0.00 C ATOM 154 O ASP A 19 -7.601 -4.884 -3.600 1.00 0.00 O ATOM 155 CB ASP A 19 -9.995 -6.515 -1.935 1.00 0.00 C ATOM 156 CG ASP A 19 -10.098 -6.993 -3.362 1.00 0.00 C ATOM 157 OD1 ASP A 19 -9.616 -8.119 -3.644 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -10.572 -6.243 -4.206 1.00 0.00 O ATOM 0 H ASP A 19 -9.225 -5.331 0.264 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.858 -6.696 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.199 -7.341 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.751 -5.753 -1.746 1.00 0.00 H new ATOM 163 N ALA A 20 -8.815 -3.517 -2.221 1.00 0.00 N ATOM 164 CA ALA A 20 -8.747 -2.259 -3.081 1.00 0.00 C ATOM 165 C ALA A 20 -7.338 -1.901 -3.493 1.00 0.00 C ATOM 166 O ALA A 20 -7.105 -1.244 -4.514 1.00 0.00 O ATOM 167 CB ALA A 20 -9.328 -1.065 -2.340 1.00 0.00 C ATOM 0 H ALA A 20 -9.275 -3.365 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.328 -2.486 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.269 -0.180 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.370 -1.264 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.762 -0.895 -1.424 1.00 0.00 H new ATOM 173 N LEU A 21 -6.415 -2.351 -2.710 1.00 0.00 N ATOM 174 CA LEU A 21 -5.007 -2.096 -2.879 1.00 0.00 C ATOM 175 C LEU A 21 -4.482 -2.652 -4.241 1.00 0.00 C ATOM 176 O LEU A 21 -3.382 -2.306 -4.686 1.00 0.00 O ATOM 177 CB LEU A 21 -4.269 -2.653 -1.675 1.00 0.00 C ATOM 178 CG LEU A 21 -4.853 -2.187 -0.320 1.00 0.00 C ATOM 179 CD1 LEU A 21 -4.203 -2.862 0.831 1.00 0.00 C ATOM 180 CD2 LEU A 21 -4.782 -0.687 -0.142 1.00 0.00 C ATOM 0 H LEU A 21 -6.621 -2.932 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.822 -1.023 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.293 -3.742 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.222 -2.355 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.904 -2.475 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.645 -2.503 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.350 -3.939 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.136 -2.640 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.205 -0.415 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.742 -0.364 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.348 -0.199 -0.936 1.00 0.00 H new ATOM 192 N GLU A 22 -5.293 -3.529 -4.855 1.00 0.00 N ATOM 193 CA GLU A 22 -5.062 -4.142 -6.176 1.00 0.00 C ATOM 194 C GLU A 22 -4.600 -3.099 -7.210 1.00 0.00 C ATOM 195 O GLU A 22 -3.540 -3.236 -7.828 1.00 0.00 O ATOM 196 CB GLU A 22 -6.391 -4.743 -6.676 1.00 0.00 C ATOM 197 CG GLU A 22 -6.265 -5.657 -7.884 1.00 0.00 C ATOM 198 CD GLU A 22 -5.538 -6.925 -7.534 1.00 0.00 C ATOM 199 OE1 GLU A 22 -6.202 -7.879 -7.081 1.00 0.00 O ATOM 200 OE2 GLU A 22 -4.300 -6.951 -7.621 1.00 0.00 O1- ATOM 0 H GLU A 22 -6.164 -3.844 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.287 -4.901 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.849 -5.303 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.071 -3.928 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.257 -5.897 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.733 -5.138 -8.682 1.00 0.00 H new ATOM 207 N ASN A 23 -5.391 -2.056 -7.387 1.00 0.00 N ATOM 208 CA ASN A 23 -5.083 -1.036 -8.397 1.00 0.00 C ATOM 209 C ASN A 23 -4.226 0.047 -7.810 1.00 0.00 C ATOM 210 O ASN A 23 -3.575 0.808 -8.537 1.00 0.00 O ATOM 211 CB ASN A 23 -6.357 -0.419 -9.009 1.00 0.00 C ATOM 212 CG ASN A 23 -7.258 -1.430 -9.724 1.00 0.00 C ATOM 213 OD1 ASN A 23 -6.684 -2.486 -10.273 1.00 0.00 O flip ATOM 214 ND2 ASN A 23 -8.459 -1.262 -9.781 1.00 0.00 N flip ATOM 0 H ASN A 23 -6.245 -1.886 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.538 -1.537 -9.197 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.929 0.066 -8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.068 0.358 -9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.880 -0.439 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.047 -1.944 -10.260 1.00 0.00 H new ATOM 221 N LEU A 24 -4.192 0.085 -6.493 1.00 0.00 N ATOM 222 CA LEU A 24 -3.452 1.073 -5.749 1.00 0.00 C ATOM 223 C LEU A 24 -1.980 1.003 -6.112 1.00 0.00 C ATOM 224 O LEU A 24 -1.398 1.995 -6.513 1.00 0.00 O ATOM 225 CB LEU A 24 -3.590 0.803 -4.286 1.00 0.00 C ATOM 226 CG LEU A 24 -3.580 2.019 -3.406 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.944 2.627 -3.383 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.140 1.677 -2.039 1.00 0.00 C ATOM 0 H LEU A 24 -4.688 -0.584 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.846 2.060 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.521 0.262 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.779 0.144 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.872 2.742 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.938 3.510 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.232 2.913 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.659 1.902 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.141 2.575 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.821 0.941 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.133 1.262 -2.074 1.00 0.00 H new ATOM 240 N ARG A 25 -1.420 -0.227 -6.056 1.00 0.00 N ATOM 241 CA ARG A 25 0.017 -0.508 -6.331 1.00 0.00 C ATOM 242 C ARG A 25 0.475 0.084 -7.695 1.00 0.00 C ATOM 243 O ARG A 25 1.646 0.353 -7.892 1.00 0.00 O ATOM 244 CB ARG A 25 0.272 -2.044 -6.353 1.00 0.00 C ATOM 245 CG ARG A 25 -0.356 -2.736 -7.561 1.00 0.00 C ATOM 246 CD ARG A 25 0.283 -4.077 -7.916 1.00 0.00 C ATOM 247 NE ARG A 25 0.148 -5.117 -6.894 1.00 0.00 N ATOM 248 CZ ARG A 25 -0.886 -5.966 -6.803 1.00 0.00 C ATOM 249 NH1 ARG A 25 -2.042 -5.695 -7.409 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 -0.761 -7.051 -6.073 1.00 0.00 N ATOM 0 H ARG A 25 -1.953 -1.063 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 25 0.590 -0.036 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.346 -2.228 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.127 -2.486 -5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.417 -2.892 -7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.285 -2.073 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.161 -4.440 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.343 -3.917 -8.112 1.00 0.00 H new ATOM 0 HE ARG A 25 0.893 -5.202 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.146 -4.835 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.823 -6.347 -7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.114 -7.239 -5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.539 -7.706 -5.995 1.00 0.00 H new ATOM 264 N VAL A 26 -0.479 0.295 -8.610 1.00 0.00 N ATOM 265 CA VAL A 26 -0.173 0.750 -9.953 1.00 0.00 C ATOM 266 C VAL A 26 0.094 2.257 -9.985 1.00 0.00 C ATOM 267 O VAL A 26 1.184 2.685 -10.305 1.00 0.00 O ATOM 268 CB VAL A 26 -1.316 0.396 -10.951 1.00 0.00 C ATOM 269 CG1 VAL A 26 -0.957 0.817 -12.375 1.00 0.00 C ATOM 270 CG2 VAL A 26 -1.642 -1.092 -10.901 1.00 0.00 C ATOM 0 H VAL A 26 -1.474 0.154 -8.433 1.00 0.00 H new ATOM 0 HA VAL A 26 0.732 0.229 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.203 0.952 -10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.774 0.557 -13.048 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.791 1.894 -12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.050 0.301 -12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.443 -1.313 -11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.755 -1.668 -11.166 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.961 -1.361 -9.894 1.00 0.00 H new ATOM 280 N TYR A 27 -0.891 3.051 -9.612 1.00 0.00 N ATOM 281 CA TYR A 27 -0.758 4.515 -9.700 1.00 0.00 C ATOM 282 C TYR A 27 0.036 5.105 -8.552 1.00 0.00 C ATOM 283 O TYR A 27 0.573 6.195 -8.647 1.00 0.00 O ATOM 284 CB TYR A 27 -2.133 5.208 -9.812 1.00 0.00 C ATOM 285 CG TYR A 27 -3.182 4.810 -8.764 1.00 0.00 C ATOM 286 CD1 TYR A 27 -2.964 4.965 -7.381 1.00 0.00 C ATOM 287 CD2 TYR A 27 -4.410 4.300 -9.173 1.00 0.00 C ATOM 288 CE1 TYR A 27 -3.939 4.631 -6.471 1.00 0.00 C ATOM 289 CE2 TYR A 27 -5.388 3.955 -8.264 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.160 4.119 -6.924 1.00 0.00 C ATOM 291 OH TYR A 27 -6.169 3.824 -6.030 1.00 0.00 O ATOM 0 H TYR A 27 -1.786 2.725 -9.248 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.197 4.706 -10.615 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.979 6.285 -9.750 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.541 5.000 -10.801 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.018 5.351 -7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.602 4.171 -10.228 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.764 4.763 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.331 3.557 -8.608 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.941 3.464 -6.515 1.00 0.00 H new ATOM 301 N LEU A 28 0.121 4.366 -7.487 1.00 0.00 N ATOM 302 CA LEU A 28 0.740 4.842 -6.280 1.00 0.00 C ATOM 303 C LEU A 28 2.269 4.981 -6.442 1.00 0.00 C ATOM 304 O LEU A 28 2.895 5.820 -5.771 1.00 0.00 O ATOM 305 CB LEU A 28 0.406 3.868 -5.143 1.00 0.00 C ATOM 306 CG LEU A 28 -0.269 4.397 -3.884 1.00 0.00 C ATOM 307 CD1 LEU A 28 -0.222 3.341 -2.809 1.00 0.00 C ATOM 308 CD2 LEU A 28 0.365 5.665 -3.410 1.00 0.00 C ATOM 0 H LEU A 28 -0.237 3.413 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 28 0.352 5.834 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.235 3.089 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.336 3.387 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.308 4.628 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.705 3.718 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.743 2.448 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.816 3.093 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.143 6.012 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.416 5.485 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.285 6.425 -4.188 1.00 0.00 H new ATOM 320 N CYS A 29 2.840 4.220 -7.388 1.00 0.00 N ATOM 321 CA CYS A 29 4.303 4.104 -7.576 1.00 0.00 C ATOM 322 C CYS A 29 5.016 5.438 -7.863 1.00 0.00 C ATOM 323 O CYS A 29 6.242 5.515 -7.737 1.00 0.00 O ATOM 324 CB CYS A 29 4.631 3.079 -8.673 1.00 0.00 C ATOM 325 SG CYS A 29 4.005 3.503 -10.317 1.00 0.00 S ATOM 0 H CYS A 29 2.301 3.663 -8.050 1.00 0.00 H new ATOM 0 HA CYS A 29 4.690 3.759 -6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.713 2.963 -8.730 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.221 2.112 -8.382 1.00 0.00 H new ATOM 0 HG CYS A 29 2.706 3.452 -10.313 1.00 0.00 H new ATOM 331 N GLU A 30 4.260 6.477 -8.259 1.00 0.00 N ATOM 332 CA GLU A 30 4.852 7.793 -8.499 1.00 0.00 C ATOM 333 C GLU A 30 5.417 8.321 -7.203 1.00 0.00 C ATOM 334 O GLU A 30 6.561 8.768 -7.119 1.00 0.00 O ATOM 335 CB GLU A 30 3.810 8.834 -8.878 1.00 0.00 C ATOM 336 CG GLU A 30 2.901 8.572 -10.038 1.00 0.00 C ATOM 337 CD GLU A 30 1.988 9.767 -10.193 1.00 0.00 C ATOM 338 OE1 GLU A 30 1.358 10.168 -9.173 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 1.968 10.376 -11.261 1.00 0.00 O ATOM 0 H GLU A 30 3.253 6.428 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 30 5.586 7.655 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.183 9.004 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.337 9.767 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.480 8.414 -10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.318 7.666 -9.869 1.00 0.00 H new ATOM 346 N LYS A 31 4.582 8.273 -6.185 1.00 0.00 N ATOM 347 CA LYS A 31 4.901 8.914 -4.949 1.00 0.00 C ATOM 348 C LYS A 31 5.503 7.926 -3.972 1.00 0.00 C ATOM 349 O LYS A 31 6.381 8.281 -3.148 1.00 0.00 O ATOM 350 CB LYS A 31 3.642 9.563 -4.346 1.00 0.00 C ATOM 351 CG LYS A 31 2.830 10.452 -5.282 1.00 0.00 C ATOM 352 CD LYS A 31 3.671 11.432 -6.053 1.00 0.00 C ATOM 353 CE LYS A 31 2.804 12.501 -6.738 1.00 0.00 C ATOM 354 NZ LYS A 31 1.538 11.953 -7.312 1.00 0.00 N1+ ATOM 0 H LYS A 31 3.681 7.795 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 31 5.638 9.692 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.992 8.770 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.943 10.158 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.282 9.823 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.089 11.000 -4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.380 11.914 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.255 10.900 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.560 13.280 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.381 12.973 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.126 12.646 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.742 11.071 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.864 11.760 -6.544 1.00 0.00 H new ATOM 368 N ILE A 32 5.094 6.687 -4.061 1.00 0.00 N ATOM 369 CA ILE A 32 5.659 5.714 -3.201 1.00 0.00 C ATOM 370 C ILE A 32 6.665 4.894 -3.951 1.00 0.00 C ATOM 371 O ILE A 32 6.342 3.989 -4.720 1.00 0.00 O ATOM 372 CB ILE A 32 4.614 4.809 -2.446 1.00 0.00 C ATOM 373 CG1 ILE A 32 5.330 3.821 -1.510 1.00 0.00 C ATOM 374 CG2 ILE A 32 3.691 4.055 -3.397 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.385 2.920 -0.764 1.00 0.00 C ATOM 0 H ILE A 32 4.386 6.345 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 32 6.156 6.266 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 32 3.989 5.480 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.018 3.211 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.931 4.380 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.992 3.448 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.135 4.768 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.284 3.409 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.954 2.248 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.713 3.523 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.802 2.335 -1.475 1.00 0.00 H new ATOM 387 N ILE A 33 7.887 5.241 -3.780 1.00 0.00 N ATOM 388 CA ILE A 33 8.890 4.451 -4.344 1.00 0.00 C ATOM 389 C ILE A 33 9.412 3.641 -3.197 1.00 0.00 C ATOM 390 O ILE A 33 9.857 4.195 -2.192 1.00 0.00 O ATOM 391 CB ILE A 33 10.024 5.335 -4.938 1.00 0.00 C ATOM 392 CG1 ILE A 33 9.433 6.386 -5.901 1.00 0.00 C ATOM 393 CG2 ILE A 33 11.039 4.466 -5.668 1.00 0.00 C ATOM 394 CD1 ILE A 33 10.453 7.346 -6.485 1.00 0.00 C ATOM 0 H ILE A 33 8.204 6.059 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 33 8.517 3.835 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 33 10.528 5.853 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.929 5.870 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.674 6.961 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.828 5.096 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.473 3.750 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.544 3.930 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.952 8.050 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.941 7.893 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.200 6.786 -7.047 1.00 0.00 H new ATOM 406 N ALA A 34 9.404 2.353 -3.354 1.00 0.00 N ATOM 407 CA ALA A 34 9.830 1.455 -2.297 1.00 0.00 C ATOM 408 C ALA A 34 11.301 1.321 -2.254 1.00 0.00 C ATOM 409 O ALA A 34 11.867 0.771 -1.335 1.00 0.00 O ATOM 410 CB ALA A 34 9.242 0.133 -2.493 1.00 0.00 C ATOM 0 H ALA A 34 9.106 1.885 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 34 9.491 1.882 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.569 -0.533 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.155 0.212 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.563 -0.269 -3.454 1.00 0.00 H new ATOM 416 N GLU A 35 11.913 1.815 -3.267 1.00 0.00 N ATOM 417 CA GLU A 35 13.320 1.738 -3.408 1.00 0.00 C ATOM 418 C GLU A 35 13.990 2.648 -2.340 1.00 0.00 C ATOM 419 O GLU A 35 15.108 2.424 -1.897 1.00 0.00 O ATOM 420 CB GLU A 35 13.661 2.140 -4.811 1.00 0.00 C ATOM 421 CG GLU A 35 15.132 2.041 -5.133 1.00 0.00 C ATOM 422 CD GLU A 35 15.441 2.545 -6.499 1.00 0.00 C ATOM 423 OE1 GLU A 35 15.519 3.763 -6.703 1.00 0.00 O1- ATOM 424 OE2 GLU A 35 15.615 1.729 -7.413 1.00 0.00 O ATOM 0 H GLU A 35 11.442 2.293 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 35 13.693 0.727 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.104 1.511 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.331 3.166 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.702 2.610 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.452 1.002 -5.049 1.00 0.00 H new ATOM 431 N ARG A 36 13.199 3.591 -1.878 1.00 0.00 N ATOM 432 CA ARG A 36 13.509 4.539 -0.817 1.00 0.00 C ATOM 433 C ARG A 36 13.533 3.874 0.567 1.00 0.00 C ATOM 434 O ARG A 36 13.928 4.490 1.531 1.00 0.00 O ATOM 435 CB ARG A 36 12.583 5.755 -0.834 1.00 0.00 C ATOM 436 CG ARG A 36 12.763 6.653 -2.050 1.00 0.00 C ATOM 437 CD ARG A 36 12.000 7.971 -1.903 1.00 0.00 C ATOM 438 NE ARG A 36 10.522 7.833 -1.962 1.00 0.00 N ATOM 439 CZ ARG A 36 9.702 7.948 -0.895 1.00 0.00 C ATOM 440 NH1 ARG A 36 10.201 7.812 0.344 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 8.376 8.126 -1.075 1.00 0.00 N ATOM 0 H ARG A 36 12.261 3.730 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 36 14.517 4.901 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.549 5.412 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.755 6.343 0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.823 6.861 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.417 6.130 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.272 8.431 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.321 8.653 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 36 10.098 7.638 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.195 7.623 0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.586 7.898 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.991 8.174 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.759 8.213 -0.268 1.00 0.00 H new ATOM 455 N HIS A 37 13.166 2.572 0.597 1.00 0.00 N ATOM 456 CA HIS A 37 12.758 1.734 1.786 1.00 0.00 C ATOM 457 C HIS A 37 13.533 1.874 3.100 1.00 0.00 C ATOM 458 O HIS A 37 13.117 1.301 4.099 1.00 0.00 O ATOM 459 CB HIS A 37 12.781 0.218 1.417 1.00 0.00 C ATOM 460 CG HIS A 37 14.110 -0.381 0.970 1.00 0.00 C ATOM 461 ND1 HIS A 37 14.566 -1.615 1.410 1.00 0.00 N ATOM 462 CD2 HIS A 37 15.043 0.050 0.082 1.00 0.00 C ATOM 463 CE1 HIS A 37 15.705 -1.901 0.818 1.00 0.00 C ATOM 464 NE2 HIS A 37 16.019 -0.917 0.012 1.00 0.00 N ATOM 0 H HIS A 37 13.140 2.025 -0.263 1.00 0.00 H new ATOM 0 HA HIS A 37 11.768 2.141 1.993 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.434 -0.344 2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.055 0.055 0.621 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.091 -2.210 2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.022 0.980 -0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.286 -2.799 0.971 1.00 0.00 H new ATOM 473 N PHE A 38 14.589 2.584 3.143 1.00 0.00 N ATOM 474 CA PHE A 38 15.240 2.768 4.400 1.00 0.00 C ATOM 475 C PHE A 38 14.591 3.923 5.173 1.00 0.00 C ATOM 476 O PHE A 38 14.767 4.034 6.377 1.00 0.00 O ATOM 477 CB PHE A 38 16.747 2.931 4.248 1.00 0.00 C ATOM 478 CG PHE A 38 17.416 1.716 3.645 1.00 0.00 C ATOM 479 CD1 PHE A 38 17.201 0.442 4.180 1.00 0.00 C ATOM 480 CD2 PHE A 38 18.247 1.843 2.544 1.00 0.00 C ATOM 481 CE1 PHE A 38 17.810 -0.665 3.624 1.00 0.00 C ATOM 482 CE2 PHE A 38 18.858 0.734 1.989 1.00 0.00 C ATOM 483 CZ PHE A 38 18.641 -0.520 2.532 1.00 0.00 C ATOM 0 H PHE A 38 15.025 3.046 2.345 1.00 0.00 H new ATOM 0 HA PHE A 38 15.104 1.862 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.951 3.799 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.185 3.132 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 38 16.553 0.323 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.419 2.819 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 38 17.636 -1.645 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.505 0.846 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.122 -1.386 2.101 1.00 0.00 H new ATOM 493 N ASP A 39 13.797 4.753 4.474 1.00 0.00 N ATOM 494 CA ASP A 39 13.098 5.864 5.131 1.00 0.00 C ATOM 495 C ASP A 39 11.765 5.373 5.736 1.00 0.00 C ATOM 496 O ASP A 39 11.555 5.414 6.942 1.00 0.00 O ATOM 497 CB ASP A 39 12.855 7.094 4.151 1.00 0.00 C ATOM 498 CG ASP A 39 11.679 6.948 3.156 1.00 0.00 C ATOM 499 OD1 ASP A 39 11.638 5.974 2.395 1.00 0.00 O ATOM 500 OD2 ASP A 39 10.746 7.800 3.157 1.00 0.00 O1- ATOM 0 H ASP A 39 13.627 4.676 3.471 1.00 0.00 H new ATOM 0 HA ASP A 39 13.742 6.224 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.685 7.986 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.768 7.264 3.581 1.00 0.00 H new ATOM 505 N HIS A 40 10.893 4.867 4.897 1.00 0.00 N ATOM 506 CA HIS A 40 9.566 4.474 5.308 1.00 0.00 C ATOM 507 C HIS A 40 9.434 3.054 5.755 1.00 0.00 C ATOM 508 O HIS A 40 8.454 2.701 6.403 1.00 0.00 O ATOM 509 CB HIS A 40 8.533 4.797 4.237 1.00 0.00 C ATOM 510 CG HIS A 40 7.851 6.103 4.455 1.00 0.00 C ATOM 511 ND1 HIS A 40 8.413 7.326 4.171 1.00 0.00 N ATOM 512 CD2 HIS A 40 6.632 6.367 4.961 1.00 0.00 C ATOM 513 CE1 HIS A 40 7.571 8.281 4.496 1.00 0.00 C ATOM 514 NE2 HIS A 40 6.482 7.718 4.978 1.00 0.00 N ATOM 0 H HIS A 40 11.084 4.716 3.907 1.00 0.00 H new ATOM 0 HA HIS A 40 9.370 5.074 6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.021 4.807 3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.786 4.004 4.211 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.340 7.469 3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.906 5.639 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.742 9.342 4.387 1.00 0.00 H new ATOM 523 N LEU A 41 10.338 2.212 5.394 1.00 0.00 N ATOM 524 CA LEU A 41 10.176 0.844 5.798 1.00 0.00 C ATOM 525 C LEU A 41 10.857 0.517 7.091 1.00 0.00 C ATOM 526 O LEU A 41 10.510 -0.446 7.756 1.00 0.00 O ATOM 527 CB LEU A 41 10.431 -0.108 4.689 1.00 0.00 C ATOM 528 CG LEU A 41 9.599 0.184 3.443 1.00 0.00 C ATOM 529 CD1 LEU A 41 9.809 -0.877 2.466 1.00 0.00 C ATOM 530 CD2 LEU A 41 8.110 0.316 3.764 1.00 0.00 C ATOM 0 H LEU A 41 11.169 2.425 4.842 1.00 0.00 H new ATOM 0 HA LEU A 41 9.120 0.711 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.489 -0.076 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.218 -1.121 5.032 1.00 0.00 H new ATOM 0 HG LEU A 41 9.926 1.140 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.217 -0.673 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.865 -0.921 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.503 -1.832 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.557 0.524 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.749 -0.614 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.961 1.133 4.470 1.00 0.00 H new ATOM 542 N ARG A 42 11.797 1.355 7.479 1.00 0.00 N ATOM 543 CA ARG A 42 12.419 1.262 8.801 1.00 0.00 C ATOM 544 C ARG A 42 11.390 1.773 9.812 1.00 0.00 C ATOM 545 O ARG A 42 11.476 1.531 11.013 1.00 0.00 O ATOM 546 CB ARG A 42 13.700 2.117 8.833 1.00 0.00 C ATOM 547 CG ARG A 42 14.459 2.118 10.159 1.00 0.00 C ATOM 548 CD ARG A 42 14.963 0.732 10.531 1.00 0.00 C ATOM 549 NE ARG A 42 15.691 0.742 11.815 1.00 0.00 N ATOM 550 CZ ARG A 42 16.191 -0.344 12.437 1.00 0.00 C ATOM 551 NH1 ARG A 42 16.042 -1.560 11.895 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 16.842 -0.207 13.603 1.00 0.00 N ATOM 0 H ARG A 42 12.154 2.115 6.900 1.00 0.00 H new ATOM 0 HA ARG A 42 12.705 0.237 9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.371 1.763 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.436 3.145 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.303 2.804 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.807 2.490 10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.120 0.044 10.596 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.619 0.360 9.744 1.00 0.00 H new ATOM 0 HE ARG A 42 15.827 1.645 12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.549 -1.666 11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.422 -2.380 12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.958 0.718 14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.221 -1.028 14.075 1.00 0.00 H new ATOM 566 N ALA A 43 10.411 2.464 9.272 1.00 0.00 N ATOM 567 CA ALA A 43 9.292 2.968 10.000 1.00 0.00 C ATOM 568 C ALA A 43 8.338 1.838 10.323 1.00 0.00 C ATOM 569 O ALA A 43 7.971 1.612 11.484 1.00 0.00 O ATOM 570 CB ALA A 43 8.558 3.939 9.104 1.00 0.00 C ATOM 0 H ALA A 43 10.381 2.693 8.278 1.00 0.00 H new ATOM 0 HA ALA A 43 9.635 3.441 10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.695 4.342 9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.226 4.754 8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.222 3.422 8.205 1.00 0.00 H new ATOM 576 N LYS A 44 7.975 1.077 9.304 1.00 0.00 N ATOM 577 CA LYS A 44 6.941 0.102 9.492 1.00 0.00 C ATOM 578 C LYS A 44 7.496 -1.239 9.932 1.00 0.00 C ATOM 579 O LYS A 44 6.859 -1.900 10.732 1.00 0.00 O ATOM 580 CB LYS A 44 6.197 -0.076 8.171 1.00 0.00 C ATOM 581 CG LYS A 44 5.546 1.184 7.608 1.00 0.00 C ATOM 582 CD LYS A 44 4.397 1.655 8.474 1.00 0.00 C ATOM 583 CE LYS A 44 3.645 2.801 7.821 1.00 0.00 C ATOM 584 NZ LYS A 44 2.345 3.038 8.468 1.00 0.00 N1+ ATOM 0 H LYS A 44 8.374 1.120 8.366 1.00 0.00 H new ATOM 0 HA LYS A 44 6.274 0.458 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.896 -0.465 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.424 -0.833 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.292 1.975 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.184 0.987 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.713 0.826 8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.778 1.974 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.248 3.708 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.491 2.580 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.096 4.045 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.615 2.463 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.404 2.774 9.472 1.00 0.00 H new ATOM 598 N LYS A 45 8.773 -1.518 9.577 1.00 0.00 N ATOM 599 CA LYS A 45 9.472 -2.785 9.935 1.00 0.00 C ATOM 600 C LYS A 45 8.530 -3.984 9.789 1.00 0.00 C ATOM 601 O LYS A 45 8.172 -4.619 10.773 1.00 0.00 O ATOM 602 CB LYS A 45 10.000 -2.683 11.349 1.00 0.00 C ATOM 603 CG LYS A 45 10.903 -1.481 11.567 1.00 0.00 C ATOM 604 CD LYS A 45 11.002 -1.123 13.048 1.00 0.00 C ATOM 605 CE LYS A 45 9.797 -0.265 13.522 1.00 0.00 C ATOM 606 NZ LYS A 45 8.454 -0.894 13.284 1.00 0.00 N1+ ATOM 0 H LYS A 45 9.351 -0.875 9.035 1.00 0.00 H new ATOM 0 HA LYS A 45 10.308 -2.938 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.159 -2.627 12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.551 -3.592 11.590 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.897 -1.695 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.517 -0.628 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.051 -2.037 13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.928 -0.577 13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.907 -0.064 14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.829 0.698 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.719 -0.334 13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.260 -0.922 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.452 -1.862 13.663 1.00 0.00 H new ATOM 620 N ILE A 46 8.084 -4.217 8.572 1.00 0.00 N ATOM 621 CA ILE A 46 7.029 -5.189 8.320 1.00 0.00 C ATOM 622 C ILE A 46 7.601 -6.591 8.256 1.00 0.00 C ATOM 623 O ILE A 46 7.011 -7.543 8.749 1.00 0.00 O ATOM 624 CB ILE A 46 6.262 -4.952 6.958 1.00 0.00 C ATOM 625 CG1 ILE A 46 6.009 -3.467 6.631 1.00 0.00 C ATOM 626 CG2 ILE A 46 4.931 -5.694 6.963 1.00 0.00 C ATOM 627 CD1 ILE A 46 7.203 -2.723 6.030 1.00 0.00 C ATOM 0 H ILE A 46 8.434 -3.747 7.737 1.00 0.00 H new ATOM 0 HA ILE A 46 6.330 -5.067 9.148 1.00 0.00 H new ATOM 0 HB ILE A 46 6.920 -5.341 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.172 -3.401 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.705 -2.956 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.415 -5.521 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.110 -6.762 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.315 -5.330 7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.926 -1.687 5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.038 -2.750 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.497 -3.202 5.096 1.00 0.00 H new ATOM 639 N LEU A 47 8.760 -6.693 7.664 1.00 0.00 N ATOM 640 CA LEU A 47 9.350 -7.965 7.363 1.00 0.00 C ATOM 641 C LEU A 47 10.555 -8.159 8.260 1.00 0.00 C ATOM 642 O LEU A 47 10.820 -7.336 9.153 1.00 0.00 O ATOM 643 CB LEU A 47 9.826 -8.019 5.882 1.00 0.00 C ATOM 644 CG LEU A 47 8.898 -7.509 4.757 1.00 0.00 C ATOM 645 CD1 LEU A 47 7.491 -8.093 4.812 1.00 0.00 C ATOM 646 CD2 LEU A 47 8.897 -5.992 4.694 1.00 0.00 C ATOM 0 H LEU A 47 9.322 -5.892 7.377 1.00 0.00 H new ATOM 0 HA LEU A 47 8.606 -8.746 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.755 -7.453 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.070 -9.057 5.657 1.00 0.00 H new ATOM 0 HG LEU A 47 9.316 -7.879 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.897 -7.689 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.544 -9.178 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.025 -7.830 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.235 -5.662 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.547 -5.589 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.908 -5.635 4.499 1.00 0.00 H new ATOM 658 N SER A 48 11.311 -9.187 8.000 1.00 0.00 N ATOM 659 CA SER A 48 12.481 -9.470 8.766 1.00 0.00 C ATOM 660 C SER A 48 13.653 -8.596 8.258 1.00 0.00 C ATOM 661 O SER A 48 13.476 -7.715 7.383 1.00 0.00 O ATOM 662 CB SER A 48 12.817 -10.956 8.653 1.00 0.00 C ATOM 663 OG SER A 48 11.657 -11.745 8.822 1.00 0.00 O ATOM 0 H SER A 48 11.129 -9.852 7.248 1.00 0.00 H new ATOM 0 HA SER A 48 12.305 -9.236 9.816 1.00 0.00 H new ATOM 0 HB2 SER A 48 13.263 -11.160 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 48 13.558 -11.225 9.406 1.00 0.00 H new ATOM 0 HG SER A 48 11.109 -11.699 8.011 1.00 0.00 H new ATOM 669 N ARG A 49 14.842 -8.846 8.777 1.00 0.00 N ATOM 670 CA ARG A 49 16.016 -8.041 8.457 1.00 0.00 C ATOM 671 C ARG A 49 16.398 -8.195 6.991 1.00 0.00 C ATOM 672 O ARG A 49 16.841 -7.251 6.347 1.00 0.00 O ATOM 673 CB ARG A 49 17.199 -8.501 9.262 1.00 0.00 C ATOM 674 CG ARG A 49 16.967 -8.737 10.733 1.00 0.00 C ATOM 675 CD ARG A 49 18.151 -9.495 11.308 1.00 0.00 C ATOM 676 NE ARG A 49 18.361 -10.774 10.599 1.00 0.00 N ATOM 677 CZ ARG A 49 18.857 -11.897 11.106 1.00 0.00 C ATOM 678 NH1 ARG A 49 19.266 -11.956 12.380 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 18.944 -12.960 10.320 1.00 0.00 N ATOM 0 H ARG A 49 15.025 -9.608 9.430 1.00 0.00 H new ATOM 0 HA ARG A 49 15.764 -7.005 8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.570 -9.427 8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.991 -7.759 9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.842 -7.786 11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.049 -9.305 10.882 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.050 -8.883 11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.984 -9.687 12.368 1.00 0.00 H new ATOM 0 HE ARG A 49 18.097 -10.797 9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.199 -11.131 12.976 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.645 -12.826 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.634 -12.904 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.321 -13.835 10.685 1.00 0.00 H new ATOM 693 N GLU A 50 16.226 -9.387 6.484 1.00 0.00 N ATOM 694 CA GLU A 50 16.643 -9.735 5.142 1.00 0.00 C ATOM 695 C GLU A 50 15.614 -9.299 4.123 1.00 0.00 C ATOM 696 O GLU A 50 15.915 -8.543 3.202 1.00 0.00 O ATOM 697 CB GLU A 50 16.913 -11.253 5.048 1.00 0.00 C ATOM 698 CG GLU A 50 18.213 -11.737 5.730 1.00 0.00 C ATOM 699 CD GLU A 50 18.353 -11.332 7.190 1.00 0.00 C ATOM 700 OE1 GLU A 50 17.851 -12.035 8.083 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 18.961 -10.282 7.460 1.00 0.00 O ATOM 0 H GLU A 50 15.788 -10.155 6.993 1.00 0.00 H new ATOM 0 HA GLU A 50 17.569 -9.205 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 50 16.070 -11.783 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.948 -11.534 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.260 -12.824 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.066 -11.346 5.175 1.00 0.00 H new ATOM 708 N ASP A 51 14.417 -9.734 4.335 1.00 0.00 N ATOM 709 CA ASP A 51 13.266 -9.476 3.488 1.00 0.00 C ATOM 710 C ASP A 51 12.835 -8.004 3.386 1.00 0.00 C ATOM 711 O ASP A 51 12.116 -7.639 2.473 1.00 0.00 O ATOM 712 CB ASP A 51 12.111 -10.483 3.754 1.00 0.00 C ATOM 713 CG ASP A 51 12.024 -10.942 5.209 1.00 0.00 C ATOM 714 OD1 ASP A 51 13.040 -11.457 5.734 1.00 0.00 O1- ATOM 715 OD2 ASP A 51 10.988 -10.767 5.856 1.00 0.00 O ATOM 0 H ASP A 51 14.187 -10.312 5.144 1.00 0.00 H new ATOM 0 HA ASP A 51 13.607 -9.672 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.165 -10.022 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.245 -11.355 3.114 1.00 0.00 H new ATOM 720 N THR A 52 13.254 -7.155 4.320 1.00 0.00 N ATOM 721 CA THR A 52 13.000 -5.718 4.145 1.00 0.00 C ATOM 722 C THR A 52 14.201 -5.084 3.353 1.00 0.00 C ATOM 723 O THR A 52 14.107 -3.975 2.797 1.00 0.00 O ATOM 724 CB THR A 52 12.805 -4.975 5.520 1.00 0.00 C ATOM 725 OG1 THR A 52 11.915 -5.727 6.351 1.00 0.00 O ATOM 726 CG2 THR A 52 12.177 -3.572 5.326 1.00 0.00 C ATOM 0 H THR A 52 13.750 -7.415 5.172 1.00 0.00 H new ATOM 0 HA THR A 52 12.071 -5.601 3.587 1.00 0.00 H new ATOM 0 HB THR A 52 13.790 -4.875 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.423 -6.400 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.058 -3.090 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.829 -2.966 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.202 -3.672 4.848 1.00 0.00 H new ATOM 734 N ARG A 53 15.350 -5.775 3.369 1.00 0.00 N ATOM 735 CA ARG A 53 16.565 -5.343 2.656 1.00 0.00 C ATOM 736 C ARG A 53 16.628 -5.733 1.159 1.00 0.00 C ATOM 737 O ARG A 53 16.980 -4.893 0.314 1.00 0.00 O ATOM 738 CB ARG A 53 17.859 -5.760 3.375 1.00 0.00 C ATOM 739 CG ARG A 53 18.127 -5.003 4.669 1.00 0.00 C ATOM 740 CD ARG A 53 19.480 -5.378 5.277 1.00 0.00 C ATOM 741 NE ARG A 53 19.563 -6.794 5.701 1.00 0.00 N ATOM 742 CZ ARG A 53 20.708 -7.509 5.791 1.00 0.00 C ATOM 743 NH1 ARG A 53 21.861 -6.987 5.340 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 20.707 -8.735 6.312 1.00 0.00 N ATOM 0 H ARG A 53 15.465 -6.652 3.878 1.00 0.00 H new ATOM 0 HA ARG A 53 16.488 -4.256 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.812 -6.827 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.701 -5.611 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.100 -3.931 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.334 -5.217 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.265 -5.178 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.673 -4.737 6.137 1.00 0.00 H new ATOM 0 HE ARG A 53 18.692 -7.266 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.872 -6.053 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.725 -7.525 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.836 -9.145 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.577 -9.263 6.374 1.00 0.00 H new ATOM 758 N GLU A 54 16.297 -6.998 0.848 1.00 0.00 N ATOM 759 CA GLU A 54 16.482 -7.606 -0.513 1.00 0.00 C ATOM 760 C GLU A 54 15.835 -6.837 -1.685 1.00 0.00 C ATOM 761 O GLU A 54 16.303 -6.903 -2.829 1.00 0.00 O ATOM 762 CB GLU A 54 16.152 -9.123 -0.501 1.00 0.00 C ATOM 763 CG GLU A 54 14.792 -9.515 0.094 1.00 0.00 C ATOM 764 CD GLU A 54 13.615 -9.226 -0.804 1.00 0.00 C ATOM 765 OE1 GLU A 54 13.056 -8.107 -0.756 1.00 0.00 O1- ATOM 766 OE2 GLU A 54 13.222 -10.107 -1.602 1.00 0.00 O ATOM 0 H GLU A 54 15.891 -7.643 1.525 1.00 0.00 H new ATOM 0 HA GLU A 54 17.545 -7.501 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.197 -9.492 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.932 -9.639 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.804 -10.580 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.654 -8.984 1.036 1.00 0.00 H new ATOM 773 N ILE A 55 14.802 -6.099 -1.371 1.00 0.00 N ATOM 774 CA ILE A 55 14.080 -5.187 -2.272 1.00 0.00 C ATOM 775 C ILE A 55 14.995 -4.181 -3.045 1.00 0.00 C ATOM 776 O ILE A 55 14.590 -3.591 -4.042 1.00 0.00 O ATOM 777 CB ILE A 55 12.834 -4.549 -1.572 1.00 0.00 C ATOM 778 CG1 ILE A 55 12.413 -3.196 -2.157 1.00 0.00 C ATOM 779 CG2 ILE A 55 12.979 -4.515 -0.072 1.00 0.00 C ATOM 780 CD1 ILE A 55 11.216 -2.588 -1.490 1.00 0.00 C ATOM 0 H ILE A 55 14.406 -6.106 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 55 13.681 -5.802 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 55 12.003 -5.218 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.250 -2.502 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.200 -3.321 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.090 -4.064 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 55 13.096 -5.531 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.856 -3.926 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.983 -1.633 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.364 -3.260 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.430 -2.428 -0.433 1.00 0.00 H new ATOM 792 N SER A 56 16.237 -4.023 -2.575 1.00 0.00 N ATOM 793 CA SER A 56 17.315 -3.221 -3.225 1.00 0.00 C ATOM 794 C SER A 56 17.599 -3.642 -4.738 1.00 0.00 C ATOM 795 O SER A 56 18.492 -3.113 -5.383 1.00 0.00 O ATOM 796 CB SER A 56 18.566 -3.287 -2.362 1.00 0.00 C ATOM 797 OG SER A 56 18.242 -2.874 -1.025 1.00 0.00 O ATOM 0 H SER A 56 16.544 -4.458 -1.705 1.00 0.00 H new ATOM 0 HA SER A 56 16.975 -2.188 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.964 -4.302 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.342 -2.643 -2.776 1.00 0.00 H new ATOM 0 HG SER A 56 17.775 -3.601 -0.562 1.00 0.00 H new ATOM 803 N CYS A 57 16.820 -4.609 -5.195 1.00 0.00 N ATOM 804 CA CYS A 57 16.632 -5.185 -6.558 1.00 0.00 C ATOM 805 C CYS A 57 16.874 -4.270 -7.808 1.00 0.00 C ATOM 806 O CYS A 57 17.004 -4.820 -8.879 1.00 0.00 O ATOM 807 CB CYS A 57 15.240 -5.808 -6.659 1.00 0.00 C ATOM 808 SG CYS A 57 14.910 -7.113 -5.452 1.00 0.00 S ATOM 0 H CYS A 57 16.207 -5.091 -4.537 1.00 0.00 H new ATOM 0 HA CYS A 57 17.444 -5.909 -6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.495 -5.022 -6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.111 -6.217 -7.661 1.00 0.00 H new ATOM 0 HG CYS A 57 15.339 -6.741 -4.283 1.00 0.00 H new ATOM 814 N ARG A 58 17.043 -2.936 -7.616 1.00 0.00 N ATOM 815 CA ARG A 58 16.809 -1.703 -8.525 1.00 0.00 C ATOM 816 C ARG A 58 16.653 -1.852 -10.088 1.00 0.00 C ATOM 817 O ARG A 58 16.781 -0.858 -10.801 1.00 0.00 O ATOM 818 CB ARG A 58 17.917 -0.672 -8.288 1.00 0.00 C ATOM 819 CG ARG A 58 18.170 -0.307 -6.842 1.00 0.00 C ATOM 820 CD ARG A 58 19.072 0.910 -6.742 1.00 0.00 C ATOM 821 NE ARG A 58 18.359 2.120 -7.159 1.00 0.00 N ATOM 822 CZ ARG A 58 18.866 3.348 -7.272 1.00 0.00 C ATOM 823 NH1 ARG A 58 20.191 3.537 -7.295 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 18.039 4.386 -7.381 1.00 0.00 N ATOM 0 H ARG A 58 17.392 -2.621 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 58 15.806 -1.422 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 58 18.844 -1.056 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.666 0.237 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.223 -0.105 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.630 -1.149 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.424 1.025 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.953 0.768 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 58 17.371 2.012 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.821 2.738 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 58 20.570 4.480 -7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.030 4.237 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.415 5.330 -7.468 1.00 0.00 H new ATOM 838 N THR A 59 16.459 -3.040 -10.580 1.00 0.00 N ATOM 839 CA THR A 59 16.031 -3.341 -11.960 1.00 0.00 C ATOM 840 C THR A 59 14.769 -2.467 -12.376 1.00 0.00 C ATOM 841 O THR A 59 14.298 -1.643 -11.594 1.00 0.00 O ATOM 842 CB THR A 59 15.683 -4.861 -12.067 1.00 0.00 C ATOM 843 OG1 THR A 59 15.364 -5.225 -13.426 1.00 0.00 O ATOM 844 CG2 THR A 59 14.501 -5.212 -11.151 1.00 0.00 C ATOM 0 H THR A 59 16.595 -3.883 -10.022 1.00 0.00 H new ATOM 0 HA THR A 59 16.847 -3.095 -12.640 1.00 0.00 H new ATOM 0 HB THR A 59 16.561 -5.423 -11.750 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.152 -6.181 -13.467 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.275 -6.274 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.761 -4.982 -10.118 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.628 -4.629 -11.444 1.00 0.00 H new ATOM 852 N SER A 60 14.241 -2.686 -13.606 1.00 0.00 N ATOM 853 CA SER A 60 13.150 -1.875 -14.194 1.00 0.00 C ATOM 854 C SER A 60 12.097 -1.415 -13.144 1.00 0.00 C ATOM 855 O SER A 60 11.460 -2.235 -12.454 1.00 0.00 O ATOM 856 CB SER A 60 12.481 -2.681 -15.298 1.00 0.00 C ATOM 857 OG SER A 60 13.435 -3.102 -16.257 1.00 0.00 O ATOM 0 H SER A 60 14.563 -3.435 -14.219 1.00 0.00 H new ATOM 0 HA SER A 60 13.592 -0.964 -14.597 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.981 -3.549 -14.869 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.713 -2.077 -15.782 1.00 0.00 H new ATOM 0 HG SER A 60 12.987 -3.620 -16.958 1.00 0.00 H new ATOM 863 N SER A 61 11.866 -0.106 -13.147 1.00 0.00 N ATOM 864 CA SER A 61 11.136 0.640 -12.128 1.00 0.00 C ATOM 865 C SER A 61 9.773 0.071 -11.698 1.00 0.00 C ATOM 866 O SER A 61 9.410 0.197 -10.520 1.00 0.00 O ATOM 867 CB SER A 61 10.994 2.063 -12.619 1.00 0.00 C ATOM 868 OG SER A 61 12.262 2.543 -13.034 1.00 0.00 O ATOM 0 H SER A 61 12.201 0.495 -13.900 1.00 0.00 H new ATOM 0 HA SER A 61 11.725 0.566 -11.214 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.287 2.105 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.594 2.695 -11.826 1.00 0.00 H new ATOM 0 HG SER A 61 12.174 3.465 -13.355 1.00 0.00 H new ATOM 874 N ARG A 62 9.060 -0.567 -12.627 1.00 0.00 N ATOM 875 CA ARG A 62 7.695 -1.069 -12.385 1.00 0.00 C ATOM 876 C ARG A 62 7.618 -2.030 -11.188 1.00 0.00 C ATOM 877 O ARG A 62 7.082 -1.688 -10.139 1.00 0.00 O ATOM 878 CB ARG A 62 7.120 -1.749 -13.643 1.00 0.00 C ATOM 879 CG ARG A 62 6.992 -0.831 -14.853 1.00 0.00 C ATOM 880 CD ARG A 62 6.352 -1.551 -16.044 1.00 0.00 C ATOM 881 NE ARG A 62 7.160 -2.697 -16.535 1.00 0.00 N ATOM 882 CZ ARG A 62 6.715 -3.652 -17.390 1.00 0.00 C ATOM 883 NH1 ARG A 62 5.447 -3.627 -17.823 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 7.543 -4.625 -17.803 1.00 0.00 N ATOM 0 H ARG A 62 9.406 -0.753 -13.568 1.00 0.00 H new ATOM 0 HA ARG A 62 7.090 -0.195 -12.142 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.757 -2.593 -13.908 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.137 -2.155 -13.404 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.391 0.039 -14.588 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.978 -0.463 -15.137 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.363 -1.908 -15.756 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.210 -0.839 -16.857 1.00 0.00 H new ATOM 0 HE ARG A 62 8.122 -2.772 -16.204 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.816 -2.890 -17.510 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.113 -4.345 -18.466 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.508 -4.647 -17.474 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.207 -5.342 -18.446 1.00 0.00 H new ATOM 898 N LYS A 63 8.202 -3.204 -11.332 1.00 0.00 N ATOM 899 CA LYS A 63 8.112 -4.207 -10.284 1.00 0.00 C ATOM 900 C LYS A 63 9.041 -3.852 -9.135 1.00 0.00 C ATOM 901 O LYS A 63 8.799 -4.209 -8.000 1.00 0.00 O ATOM 902 CB LYS A 63 8.389 -5.619 -10.828 1.00 0.00 C ATOM 903 CG LYS A 63 8.118 -6.746 -9.824 1.00 0.00 C ATOM 904 CD LYS A 63 6.673 -6.692 -9.315 1.00 0.00 C ATOM 905 CE LYS A 63 6.355 -7.820 -8.376 1.00 0.00 C ATOM 906 NZ LYS A 63 4.931 -7.811 -7.955 1.00 0.00 N1+ ATOM 0 H LYS A 63 8.738 -3.486 -12.153 1.00 0.00 H new ATOM 0 HA LYS A 63 7.091 -4.214 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.775 -5.782 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.430 -5.675 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.306 -7.711 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.807 -6.663 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.504 -5.742 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.990 -6.726 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.584 -8.770 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.994 -7.749 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.739 -8.644 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.735 -6.946 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.320 -7.836 -8.796 1.00 0.00 H new ATOM 920 N ARG A 64 10.089 -3.139 -9.469 1.00 0.00 N ATOM 921 CA ARG A 64 11.092 -2.672 -8.524 1.00 0.00 C ATOM 922 C ARG A 64 10.444 -1.875 -7.366 1.00 0.00 C ATOM 923 O ARG A 64 10.759 -2.091 -6.206 1.00 0.00 O ATOM 924 CB ARG A 64 12.106 -1.828 -9.331 1.00 0.00 C ATOM 925 CG ARG A 64 13.301 -1.183 -8.611 1.00 0.00 C ATOM 926 CD ARG A 64 12.914 0.027 -7.759 1.00 0.00 C ATOM 927 NE ARG A 64 11.995 0.960 -8.482 1.00 0.00 N ATOM 928 CZ ARG A 64 12.285 2.218 -8.866 1.00 0.00 C ATOM 929 NH1 ARG A 64 13.517 2.685 -8.773 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 11.315 3.001 -9.371 1.00 0.00 N ATOM 0 H ARG A 64 10.279 -2.856 -10.430 1.00 0.00 H new ATOM 0 HA ARG A 64 11.603 -3.508 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.506 -2.465 -10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.549 -1.028 -9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.778 -1.928 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.040 -0.876 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.433 -0.316 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.815 0.564 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 64 11.063 0.611 -8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.261 2.091 -8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.724 3.639 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.365 2.641 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.530 3.954 -9.663 1.00 0.00 H new ATOM 944 N ALA A 65 9.538 -0.965 -7.693 1.00 0.00 N ATOM 945 CA ALA A 65 8.911 -0.138 -6.668 1.00 0.00 C ATOM 946 C ALA A 65 7.706 -0.866 -6.066 1.00 0.00 C ATOM 947 O ALA A 65 7.382 -0.691 -4.901 1.00 0.00 O ATOM 948 CB ALA A 65 8.465 1.195 -7.266 1.00 0.00 C ATOM 0 H ALA A 65 9.223 -0.781 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 65 9.640 0.053 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.998 1.803 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.331 1.721 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.747 1.013 -8.066 1.00 0.00 H new ATOM 954 N GLY A 66 7.069 -1.698 -6.872 1.00 0.00 N ATOM 955 CA GLY A 66 5.879 -2.415 -6.438 1.00 0.00 C ATOM 956 C GLY A 66 6.184 -3.619 -5.560 1.00 0.00 C ATOM 957 O GLY A 66 5.315 -4.102 -4.850 1.00 0.00 O ATOM 0 H GLY A 66 7.355 -1.895 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.231 -1.730 -5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.324 -2.746 -7.315 1.00 0.00 H new ATOM 961 N LYS A 67 7.430 -4.088 -5.608 1.00 0.00 N ATOM 962 CA LYS A 67 7.876 -5.284 -4.881 1.00 0.00 C ATOM 963 C LYS A 67 7.535 -5.216 -3.391 1.00 0.00 C ATOM 964 O LYS A 67 7.137 -6.213 -2.801 1.00 0.00 O ATOM 965 CB LYS A 67 9.378 -5.494 -5.068 1.00 0.00 C ATOM 966 CG LYS A 67 9.879 -6.818 -4.524 1.00 0.00 C ATOM 967 CD LYS A 67 11.372 -6.955 -4.692 1.00 0.00 C ATOM 968 CE LYS A 67 11.857 -8.322 -4.234 1.00 0.00 C ATOM 969 NZ LYS A 67 11.526 -8.587 -2.820 1.00 0.00 N1+ ATOM 0 H LYS A 67 8.168 -3.647 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 67 7.338 -6.134 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.615 -5.434 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.914 -4.682 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.622 -6.900 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.377 -7.637 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.638 -6.804 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.877 -6.177 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.409 -9.093 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.936 -8.387 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.861 -9.536 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.988 -7.877 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.496 -8.535 -2.689 1.00 0.00 H new ATOM 983 N LEU A 68 7.696 -4.043 -2.807 1.00 0.00 N ATOM 984 CA LEU A 68 7.333 -3.812 -1.412 1.00 0.00 C ATOM 985 C LEU A 68 5.872 -4.019 -1.204 1.00 0.00 C ATOM 986 O LEU A 68 5.466 -4.741 -0.321 1.00 0.00 O ATOM 987 CB LEU A 68 7.684 -2.390 -1.006 1.00 0.00 C ATOM 988 CG LEU A 68 6.801 -1.713 0.074 1.00 0.00 C ATOM 989 CD1 LEU A 68 7.010 -2.273 1.435 1.00 0.00 C ATOM 990 CD2 LEU A 68 6.915 -0.201 0.054 1.00 0.00 C ATOM 0 H LEU A 68 8.080 -3.224 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 68 7.890 -4.522 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.714 -2.387 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.656 -1.768 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 68 5.773 -1.954 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.363 -1.757 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.769 -3.336 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.051 -2.137 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.277 0.222 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.950 0.088 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.601 0.175 -0.920 1.00 0.00 H new ATOM 1002 N LEU A 69 5.101 -3.412 -2.046 1.00 0.00 N ATOM 1003 CA LEU A 69 3.678 -3.388 -1.902 1.00 0.00 C ATOM 1004 C LEU A 69 3.149 -4.834 -1.963 1.00 0.00 C ATOM 1005 O LEU A 69 2.253 -5.222 -1.198 1.00 0.00 O ATOM 1006 CB LEU A 69 3.067 -2.498 -3.026 1.00 0.00 C ATOM 1007 CG LEU A 69 3.697 -1.082 -3.204 1.00 0.00 C ATOM 1008 CD1 LEU A 69 2.925 -0.233 -4.183 1.00 0.00 C ATOM 1009 CD2 LEU A 69 3.807 -0.367 -1.893 1.00 0.00 C ATOM 0 H LEU A 69 5.444 -2.911 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 69 3.389 -2.960 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.154 -3.033 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.002 -2.376 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 69 4.697 -1.240 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.402 0.743 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.912 -0.722 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.903 -0.106 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.250 0.616 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.815 -0.252 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.437 -0.944 -1.216 1.00 0.00 H new ATOM 1021 N ASP A 70 3.797 -5.630 -2.804 1.00 0.00 N ATOM 1022 CA ASP A 70 3.446 -7.027 -3.001 1.00 0.00 C ATOM 1023 C ASP A 70 4.016 -7.971 -1.934 1.00 0.00 C ATOM 1024 O ASP A 70 3.549 -9.084 -1.793 1.00 0.00 O ATOM 1025 CB ASP A 70 3.858 -7.532 -4.390 1.00 0.00 C ATOM 1026 CG ASP A 70 3.064 -6.933 -5.530 1.00 0.00 C ATOM 1027 OD1 ASP A 70 1.869 -7.224 -5.651 1.00 0.00 O ATOM 1028 OD2 ASP A 70 3.666 -6.239 -6.384 1.00 0.00 O1- ATOM 0 H ASP A 70 4.586 -5.320 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 70 2.360 -7.047 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.915 -7.314 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.749 -8.616 -4.417 1.00 0.00 H new ATOM 1033 N TYR A 71 5.029 -7.568 -1.208 1.00 0.00 N ATOM 1034 CA TYR A 71 5.596 -8.478 -0.208 1.00 0.00 C ATOM 1035 C TYR A 71 4.956 -8.342 1.181 1.00 0.00 C ATOM 1036 O TYR A 71 5.117 -9.202 2.023 1.00 0.00 O ATOM 1037 CB TYR A 71 7.180 -8.515 -0.159 1.00 0.00 C ATOM 1038 CG TYR A 71 7.977 -7.273 0.326 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.432 -6.316 1.165 1.00 0.00 C ATOM 1040 CD2 TYR A 71 9.329 -7.105 -0.024 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.175 -5.269 1.615 1.00 0.00 C ATOM 1042 CE2 TYR A 71 10.054 -6.060 0.448 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.480 -5.149 1.266 1.00 0.00 C ATOM 1044 OH TYR A 71 10.219 -4.099 1.755 1.00 0.00 O ATOM 0 H TYR A 71 5.474 -6.653 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 71 5.314 -9.466 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.464 -9.351 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.529 -8.750 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.399 -6.402 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.799 -7.822 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 71 7.722 -4.527 2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.092 -5.955 0.170 1.00 0.00 H new ATOM 0 HH TYR A 71 10.153 -3.339 1.140 1.00 0.00 H new ATOM 1054 N LEU A 72 4.233 -7.250 1.372 1.00 0.00 N ATOM 1055 CA LEU A 72 3.815 -6.769 2.697 1.00 0.00 C ATOM 1056 C LEU A 72 3.180 -7.739 3.722 1.00 0.00 C ATOM 1057 O LEU A 72 3.874 -8.076 4.669 1.00 0.00 O ATOM 1058 CB LEU A 72 2.964 -5.537 2.534 1.00 0.00 C ATOM 1059 CG LEU A 72 3.712 -4.325 2.050 1.00 0.00 C ATOM 1060 CD1 LEU A 72 2.782 -3.267 1.567 1.00 0.00 C ATOM 1061 CD2 LEU A 72 4.528 -3.758 3.145 1.00 0.00 C ATOM 0 H LEU A 72 3.911 -6.658 0.606 1.00 0.00 H new ATOM 0 HA LEU A 72 4.774 -6.580 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.159 -5.756 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.498 -5.303 3.491 1.00 0.00 H new ATOM 0 HG LEU A 72 4.349 -4.647 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.356 -2.406 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.185 -3.656 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.123 -2.963 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.065 -2.881 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.878 -3.470 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.244 -4.505 3.490 1.00 0.00 H new ATOM 1073 N GLN A 73 1.888 -8.184 3.627 1.00 0.00 N ATOM 1074 CA GLN A 73 1.514 -9.022 4.772 1.00 0.00 C ATOM 1075 C GLN A 73 1.616 -10.557 4.573 1.00 0.00 C ATOM 1076 O GLN A 73 2.412 -11.211 5.222 1.00 0.00 O ATOM 1077 CB GLN A 73 0.124 -8.612 5.313 1.00 0.00 C ATOM 1078 CG GLN A 73 -0.928 -8.312 4.245 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.261 -8.042 4.794 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -2.962 -7.175 4.146 1.00 0.00 O flip ATOM 1081 NE2 GLN A 73 -2.658 -8.568 5.816 1.00 0.00 N flip ATOM 0 H GLN A 73 1.200 -8.009 2.895 1.00 0.00 H new ATOM 0 HA GLN A 73 2.284 -8.818 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.249 -9.411 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.242 -7.729 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.604 -7.452 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.991 -9.158 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.073 -9.250 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.576 -8.328 6.190 1.00 0.00 H new ATOM 1090 N GLU A 74 0.787 -11.116 3.706 1.00 0.00 N ATOM 1091 CA GLU A 74 0.956 -12.463 3.105 1.00 0.00 C ATOM 1092 C GLU A 74 0.676 -12.304 1.617 1.00 0.00 C ATOM 1093 O GLU A 74 1.413 -12.673 0.730 1.00 0.00 O ATOM 1094 CB GLU A 74 -0.056 -13.447 3.761 1.00 0.00 C ATOM 1095 CG GLU A 74 0.151 -14.957 3.487 1.00 0.00 C ATOM 1096 CD GLU A 74 0.037 -15.375 2.023 1.00 0.00 C ATOM 1097 OE1 GLU A 74 -0.978 -15.020 1.374 1.00 0.00 O1- ATOM 1098 OE2 GLU A 74 0.954 -16.034 1.528 1.00 0.00 O ATOM 0 H GLU A 74 -0.055 -10.643 3.379 1.00 0.00 H new ATOM 0 HA GLU A 74 1.957 -12.864 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.028 -13.292 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.057 -13.176 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.136 -15.245 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.582 -15.519 4.066 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.387 -11.529 1.477 1.00 0.00 N ATOM 1106 CA ASN A 75 -1.246 -11.291 0.340 1.00 0.00 C ATOM 1107 C ASN A 75 -0.825 -10.034 -0.350 1.00 0.00 C ATOM 1108 O ASN A 75 -1.129 -8.992 0.186 1.00 0.00 O ATOM 1109 CB ASN A 75 -2.733 -11.078 0.755 1.00 0.00 C ATOM 1110 CG ASN A 75 -3.366 -12.086 1.725 1.00 0.00 C ATOM 1111 OD1 ASN A 75 -4.264 -11.717 2.470 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -2.919 -13.304 1.764 1.00 0.00 N ATOM 0 H ASN A 75 -0.706 -10.978 2.274 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.162 -12.170 -0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.815 -10.088 1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.334 -11.068 -0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.317 -13.972 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.170 -13.593 1.135 1.00 0.00 H new ATOM 1119 N PRO A 76 0.068 -10.114 -1.392 1.00 0.00 N ATOM 1120 CA PRO A 76 0.670 -8.962 -2.186 1.00 0.00 C ATOM 1121 C PRO A 76 -0.130 -7.610 -2.318 1.00 0.00 C ATOM 1122 O PRO A 76 0.375 -6.633 -2.822 1.00 0.00 O ATOM 1123 CB PRO A 76 0.807 -9.607 -3.556 1.00 0.00 C ATOM 1124 CG PRO A 76 1.221 -11.009 -3.265 1.00 0.00 C ATOM 1125 CD PRO A 76 0.585 -11.396 -1.943 1.00 0.00 C ATOM 0 HA PRO A 76 1.565 -8.606 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.134 -9.576 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.549 -9.092 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.896 -11.680 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.307 -11.086 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.217 -12.120 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.312 -11.853 -1.271 1.00 0.00 H new ATOM 1133 N LYS A 77 -1.337 -7.589 -1.897 1.00 0.00 N ATOM 1134 CA LYS A 77 -2.121 -6.395 -1.780 1.00 0.00 C ATOM 1135 C LYS A 77 -2.029 -5.922 -0.311 1.00 0.00 C ATOM 1136 O LYS A 77 -2.973 -5.474 0.276 1.00 0.00 O ATOM 1137 CB LYS A 77 -3.559 -6.659 -2.229 1.00 0.00 C ATOM 1138 CG LYS A 77 -3.602 -7.161 -3.657 1.00 0.00 C ATOM 1139 CD LYS A 77 -4.947 -6.988 -4.315 1.00 0.00 C ATOM 1140 CE LYS A 77 -6.054 -7.884 -3.804 1.00 0.00 C ATOM 1141 NZ LYS A 77 -7.271 -7.693 -4.640 1.00 0.00 N1+ ATOM 0 H LYS A 77 -1.837 -8.431 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.744 -5.605 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.020 -7.393 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.143 -5.743 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.849 -6.633 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.333 -8.217 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.259 -5.951 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.831 -7.161 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.737 -8.926 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.275 -7.650 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.038 -8.296 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.566 -6.697 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.060 -7.953 -5.625 1.00 0.00 H new ATOM 1155 N GLY A 78 -0.835 -6.070 0.254 1.00 0.00 N ATOM 1156 CA GLY A 78 -0.550 -5.794 1.663 1.00 0.00 C ATOM 1157 C GLY A 78 -0.376 -4.323 2.018 1.00 0.00 C ATOM 1158 O GLY A 78 -0.122 -4.000 3.172 1.00 0.00 O ATOM 0 H GLY A 78 -0.018 -6.392 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.360 -6.203 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.358 -6.328 1.944 1.00 0.00 H new ATOM 1162 N LEU A 79 -0.485 -3.457 1.010 1.00 0.00 N ATOM 1163 CA LEU A 79 -0.258 -1.954 1.055 1.00 0.00 C ATOM 1164 C LEU A 79 -0.933 -1.266 2.228 1.00 0.00 C ATOM 1165 O LEU A 79 -0.590 -0.151 2.592 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.730 -1.278 -0.247 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.001 -1.651 -1.541 1.00 0.00 C ATOM 1168 CD1 LEU A 79 -0.184 -3.110 -1.894 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.455 -0.780 -2.680 1.00 0.00 C ATOM 0 H LEU A 79 -0.747 -3.770 0.075 1.00 0.00 H new ATOM 0 HA LEU A 79 0.819 -1.839 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.788 -1.505 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.649 -0.199 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 79 1.062 -1.483 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.350 -3.330 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.211 -3.731 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.245 -3.322 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.076 -1.063 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.527 -0.908 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.244 0.264 -2.447 1.00 0.00 H new ATOM 1181 N ASP A 80 -1.886 -1.951 2.754 1.00 0.00 N ATOM 1182 CA ASP A 80 -2.727 -1.601 3.880 1.00 0.00 C ATOM 1183 C ASP A 80 -1.935 -0.950 5.025 1.00 0.00 C ATOM 1184 O ASP A 80 -2.340 0.051 5.581 1.00 0.00 O ATOM 1185 CB ASP A 80 -3.331 -2.906 4.357 1.00 0.00 C ATOM 1186 CG ASP A 80 -4.350 -2.764 5.418 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -5.485 -2.441 5.092 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -4.090 -3.121 6.554 1.00 0.00 O1- ATOM 0 H ASP A 80 -2.133 -2.867 2.379 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.477 -0.870 3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.782 -3.415 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.531 -3.548 4.725 1.00 0.00 H new ATOM 1193 N THR A 81 -0.789 -1.519 5.312 1.00 0.00 N ATOM 1194 CA THR A 81 0.110 -1.071 6.362 1.00 0.00 C ATOM 1195 C THR A 81 0.688 0.359 6.087 1.00 0.00 C ATOM 1196 O THR A 81 1.024 1.106 7.015 1.00 0.00 O ATOM 1197 CB THR A 81 1.266 -2.096 6.434 1.00 0.00 C ATOM 1198 OG1 THR A 81 0.704 -3.404 6.600 1.00 0.00 O ATOM 1199 CG2 THR A 81 2.248 -1.810 7.575 1.00 0.00 C ATOM 0 H THR A 81 -0.440 -2.334 4.808 1.00 0.00 H new ATOM 0 HA THR A 81 -0.439 -1.007 7.301 1.00 0.00 H new ATOM 0 HB THR A 81 1.834 -2.024 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.425 -4.066 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.036 -2.563 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.689 -0.823 7.437 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.718 -1.841 8.527 1.00 0.00 H new ATOM 1207 N LEU A 82 0.814 0.703 4.824 1.00 0.00 N ATOM 1208 CA LEU A 82 1.517 1.915 4.391 1.00 0.00 C ATOM 1209 C LEU A 82 0.589 3.144 4.248 1.00 0.00 C ATOM 1210 O LEU A 82 1.059 4.284 4.221 1.00 0.00 O ATOM 1211 CB LEU A 82 2.176 1.655 3.031 1.00 0.00 C ATOM 1212 CG LEU A 82 2.948 0.318 2.842 1.00 0.00 C ATOM 1213 CD1 LEU A 82 3.676 0.330 1.540 1.00 0.00 C ATOM 1214 CD2 LEU A 82 3.908 0.020 3.980 1.00 0.00 C ATOM 0 H LEU A 82 0.433 0.153 4.054 1.00 0.00 H new ATOM 0 HA LEU A 82 2.251 2.143 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.399 1.704 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.869 2.473 2.833 1.00 0.00 H new ATOM 0 HG LEU A 82 2.206 -0.480 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.214 -0.610 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.962 0.450 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.385 1.158 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.416 -0.925 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.645 0.820 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.353 -0.048 4.916 1.00 0.00 H new ATOM 1226 N VAL A 83 -0.695 2.879 4.157 1.00 0.00 N ATOM 1227 CA VAL A 83 -1.724 3.843 3.708 1.00 0.00 C ATOM 1228 C VAL A 83 -1.754 5.262 4.375 1.00 0.00 C ATOM 1229 O VAL A 83 -1.908 6.268 3.663 1.00 0.00 O ATOM 1230 CB VAL A 83 -3.142 3.194 3.727 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -3.608 2.882 5.144 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -4.165 4.042 2.985 1.00 0.00 C ATOM 0 H VAL A 83 -1.082 1.966 4.396 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.404 4.067 2.690 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.057 2.246 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.600 2.431 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.910 2.188 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.648 3.803 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.139 3.553 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.233 5.023 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.857 4.157 1.946 1.00 0.00 H new ATOM 1242 N GLU A 84 -1.576 5.364 5.683 1.00 0.00 N ATOM 1243 CA GLU A 84 -1.808 6.651 6.368 1.00 0.00 C ATOM 1244 C GLU A 84 -0.768 7.722 6.012 1.00 0.00 C ATOM 1245 O GLU A 84 -1.117 8.888 5.794 1.00 0.00 O ATOM 1246 CB GLU A 84 -1.959 6.486 7.907 1.00 0.00 C ATOM 1247 CG GLU A 84 -0.670 6.224 8.703 1.00 0.00 C ATOM 1248 CD GLU A 84 0.111 5.020 8.247 1.00 0.00 C ATOM 1249 OE1 GLU A 84 -0.201 3.909 8.644 1.00 0.00 O1- ATOM 1250 OE2 GLU A 84 1.098 5.178 7.484 1.00 0.00 O ATOM 0 H GLU A 84 -1.279 4.599 6.289 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.763 7.014 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.425 7.389 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.648 5.663 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.030 7.104 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.927 6.098 9.755 1.00 0.00 H new ATOM 1257 N SER A 85 0.482 7.324 5.907 1.00 0.00 N ATOM 1258 CA SER A 85 1.552 8.239 5.599 1.00 0.00 C ATOM 1259 C SER A 85 1.441 8.777 4.172 1.00 0.00 C ATOM 1260 O SER A 85 2.022 9.823 3.849 1.00 0.00 O ATOM 1261 CB SER A 85 2.921 7.586 5.836 1.00 0.00 C ATOM 1262 OG SER A 85 3.985 8.510 5.568 1.00 0.00 O ATOM 0 H SER A 85 0.781 6.357 6.033 1.00 0.00 H new ATOM 0 HA SER A 85 1.460 9.088 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.988 7.238 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.026 6.710 5.196 1.00 0.00 H new ATOM 0 HG SER A 85 4.847 8.075 5.739 1.00 0.00 H new ATOM 1268 N ILE A 86 0.696 8.083 3.333 1.00 0.00 N ATOM 1269 CA ILE A 86 0.510 8.483 1.951 1.00 0.00 C ATOM 1270 C ILE A 86 -0.374 9.739 1.885 1.00 0.00 C ATOM 1271 O ILE A 86 -0.264 10.555 0.977 1.00 0.00 O ATOM 1272 CB ILE A 86 -0.120 7.342 1.124 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.745 6.077 1.228 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.269 7.760 -0.327 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.197 4.896 0.459 1.00 0.00 C ATOM 0 H ILE A 86 0.203 7.227 3.589 1.00 0.00 H new ATOM 0 HA ILE A 86 1.487 8.709 1.524 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.110 7.125 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.747 6.303 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.843 5.801 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.715 6.945 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.911 8.639 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.711 7.997 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.863 4.042 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.793 4.642 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.125 5.152 -0.598 1.00 0.00 H new ATOM 1287 N ARG A 87 -1.179 9.936 2.922 1.00 0.00 N ATOM 1288 CA ARG A 87 -2.077 11.085 3.022 1.00 0.00 C ATOM 1289 C ARG A 87 -1.271 12.409 3.190 1.00 0.00 C ATOM 1290 O ARG A 87 -1.814 13.514 3.123 1.00 0.00 O ATOM 1291 CB ARG A 87 -3.086 10.843 4.170 1.00 0.00 C ATOM 1292 CG ARG A 87 -4.100 11.961 4.385 1.00 0.00 C ATOM 1293 CD ARG A 87 -5.322 11.475 5.139 1.00 0.00 C ATOM 1294 NE ARG A 87 -6.182 10.640 4.279 1.00 0.00 N ATOM 1295 CZ ARG A 87 -7.349 10.085 4.649 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -7.730 10.078 5.930 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -8.126 9.505 3.746 1.00 0.00 N ATOM 0 H ARG A 87 -1.229 9.303 3.720 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.644 11.195 2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.626 9.917 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.531 10.694 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.632 12.775 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.405 12.365 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.010 10.902 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.890 12.330 5.506 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.865 10.470 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.132 10.498 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.618 9.653 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.839 9.479 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.011 9.085 4.029 1.00 0.00 H new ATOM 1311 N ARG A 88 0.036 12.271 3.348 1.00 0.00 N ATOM 1312 CA ARG A 88 0.941 13.395 3.448 1.00 0.00 C ATOM 1313 C ARG A 88 1.294 13.940 2.036 1.00 0.00 C ATOM 1314 O ARG A 88 1.935 14.989 1.910 1.00 0.00 O ATOM 1315 CB ARG A 88 2.190 13.013 4.287 1.00 0.00 C ATOM 1316 CG ARG A 88 3.239 14.122 4.568 1.00 0.00 C ATOM 1317 CD ARG A 88 2.644 15.398 5.207 1.00 0.00 C ATOM 1318 NE ARG A 88 2.026 16.286 4.199 1.00 0.00 N ATOM 1319 CZ ARG A 88 1.361 17.423 4.429 1.00 0.00 C ATOM 1320 NH1 ARG A 88 1.086 17.805 5.681 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 0.962 18.177 3.391 1.00 0.00 N ATOM 0 H ARG A 88 0.499 11.364 3.411 1.00 0.00 H new ATOM 0 HA ARG A 88 0.449 14.210 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.844 12.628 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.697 12.193 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.009 13.722 5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.729 14.391 3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.897 15.117 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.429 15.939 5.734 1.00 0.00 H new ATOM 0 HE ARG A 88 2.117 16.001 3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.384 17.228 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.578 18.674 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.167 17.881 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.454 19.046 3.557 1.00 0.00 H new ATOM 1335 N GLU A 89 0.868 13.236 0.978 1.00 0.00 N ATOM 1336 CA GLU A 89 1.071 13.734 -0.396 1.00 0.00 C ATOM 1337 C GLU A 89 0.308 15.051 -0.599 1.00 0.00 C ATOM 1338 O GLU A 89 0.721 15.852 -1.413 1.00 0.00 O ATOM 1339 CB GLU A 89 0.578 12.727 -1.484 1.00 0.00 C ATOM 1340 CG GLU A 89 0.742 13.276 -2.920 1.00 0.00 C ATOM 1341 CD GLU A 89 -0.188 12.666 -3.953 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -1.406 12.685 -3.754 1.00 0.00 O1- ATOM 1343 OE2 GLU A 89 0.295 12.188 -4.998 1.00 0.00 O ATOM 0 H GLU A 89 0.390 12.337 1.040 1.00 0.00 H new ATOM 0 HA GLU A 89 2.146 13.875 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.135 11.795 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.471 12.491 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.581 14.354 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.771 13.113 -3.239 1.00 0.00 H new ATOM 1350 N LYS A 90 -0.737 15.279 0.272 1.00 0.00 N ATOM 1351 CA LYS A 90 -1.812 16.340 0.180 1.00 0.00 C ATOM 1352 C LYS A 90 -1.380 17.797 -0.198 1.00 0.00 C ATOM 1353 O LYS A 90 -2.217 18.693 -0.334 1.00 0.00 O ATOM 1354 CB LYS A 90 -2.727 16.300 1.428 1.00 0.00 C ATOM 1355 CG LYS A 90 -4.044 17.049 1.247 1.00 0.00 C ATOM 1356 CD LYS A 90 -4.977 16.890 2.426 1.00 0.00 C ATOM 1357 CE LYS A 90 -6.288 17.635 2.176 1.00 0.00 C ATOM 1358 NZ LYS A 90 -6.980 17.163 0.942 1.00 0.00 N1+ ATOM 0 H LYS A 90 -0.859 14.697 1.101 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.373 16.051 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.942 15.261 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.190 16.727 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.836 18.108 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.540 16.689 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.180 15.833 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.501 17.273 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.948 17.503 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.086 18.703 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.991 17.398 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.563 17.628 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.869 16.133 0.854 1.00 0.00 H new ATOM 1372 N THR A 91 -0.120 18.013 -0.386 1.00 0.00 N ATOM 1373 CA THR A 91 0.370 19.219 -0.991 1.00 0.00 C ATOM 1374 C THR A 91 -0.051 19.122 -2.500 1.00 0.00 C ATOM 1375 O THR A 91 -0.174 20.110 -3.226 1.00 0.00 O ATOM 1376 CB THR A 91 1.900 19.244 -0.857 1.00 0.00 C ATOM 1377 OG1 THR A 91 2.255 18.910 0.516 1.00 0.00 O ATOM 1378 CG2 THR A 91 2.452 20.624 -1.189 1.00 0.00 C ATOM 0 H THR A 91 0.611 17.353 -0.123 1.00 0.00 H new ATOM 0 HA THR A 91 -0.025 20.124 -0.529 1.00 0.00 H new ATOM 0 HB THR A 91 2.326 18.522 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.230 18.921 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.537 20.616 -1.087 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.186 20.886 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.029 21.359 -0.505 1.00 0.00 H new ATOM 1386 N GLN A 92 -0.250 17.873 -2.910 1.00 0.00 N ATOM 1387 CA GLN A 92 -0.832 17.448 -4.146 1.00 0.00 C ATOM 1388 C GLN A 92 -1.927 16.470 -3.731 1.00 0.00 C ATOM 1389 O GLN A 92 -1.680 15.568 -2.986 1.00 0.00 O ATOM 1390 CB GLN A 92 0.207 16.744 -5.030 1.00 0.00 C ATOM 1391 CG GLN A 92 1.324 17.648 -5.531 1.00 0.00 C ATOM 1392 CD GLN A 92 0.829 18.714 -6.492 1.00 0.00 C ATOM 1393 OE1 GLN A 92 0.787 18.497 -7.690 1.00 0.00 O ATOM 1394 NE2 GLN A 92 0.437 19.856 -5.980 1.00 0.00 N ATOM 0 H GLN A 92 0.019 17.080 -2.328 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.214 18.285 -4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.647 15.921 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.302 16.306 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.807 18.128 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.082 17.041 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.485 20.006 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.084 20.594 -6.590 1.00 0.00 H new ATOM 1403 N ASN A 93 -3.126 16.709 -4.145 1.00 0.00 N ATOM 1404 CA ASN A 93 -4.276 15.903 -3.687 1.00 0.00 C ATOM 1405 C ASN A 93 -4.460 14.573 -4.418 1.00 0.00 C ATOM 1406 O ASN A 93 -5.310 13.795 -4.038 1.00 0.00 O ATOM 1407 CB ASN A 93 -5.585 16.718 -3.675 1.00 0.00 C ATOM 1408 CG ASN A 93 -5.585 17.844 -2.644 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -5.964 17.646 -1.481 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -5.199 19.033 -3.055 1.00 0.00 N ATOM 0 H ASN A 93 -3.365 17.452 -4.802 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.025 15.635 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.750 17.142 -4.666 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.420 16.048 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.207 19.823 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.892 19.165 -4.019 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.668 14.345 -5.458 1.00 0.00 N ATOM 1418 CA PHE A 94 -3.811 13.202 -6.403 1.00 0.00 C ATOM 1419 C PHE A 94 -4.217 11.850 -5.750 1.00 0.00 C ATOM 1420 O PHE A 94 -5.296 11.310 -6.048 1.00 0.00 O ATOM 1421 CB PHE A 94 -2.516 13.042 -7.227 1.00 0.00 C ATOM 1422 CG PHE A 94 -2.566 11.951 -8.271 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -3.255 12.143 -9.456 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -1.930 10.736 -8.063 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -3.308 11.149 -10.413 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -1.980 9.738 -9.016 1.00 0.00 C ATOM 1427 CZ PHE A 94 -2.670 9.944 -10.192 1.00 0.00 C ATOM 0 H PHE A 94 -2.883 14.955 -5.689 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.650 13.458 -7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.295 13.989 -7.720 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.690 12.837 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.758 13.082 -9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.389 10.568 -7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.848 11.314 -11.334 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.479 8.797 -8.841 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.711 9.165 -10.939 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.394 11.342 -4.863 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.615 10.036 -4.251 1.00 0.00 C ATOM 1439 C LEU A 95 -4.644 10.119 -3.147 1.00 0.00 C ATOM 1440 O LEU A 95 -5.415 9.184 -2.933 1.00 0.00 O ATOM 1441 CB LEU A 95 -2.331 9.544 -3.597 1.00 0.00 C ATOM 1442 CG LEU A 95 -1.095 9.364 -4.474 1.00 0.00 C ATOM 1443 CD1 LEU A 95 0.082 9.046 -3.607 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -1.270 8.256 -5.487 1.00 0.00 C ATOM 0 H LEU A 95 -2.550 11.816 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.951 9.366 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.075 10.243 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.545 8.586 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.939 10.295 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.968 8.916 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.248 9.863 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.111 8.126 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.365 8.166 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.457 7.315 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.115 8.487 -6.136 1.00 0.00 H new ATOM 1456 N ILE A 96 -4.664 11.253 -2.491 1.00 0.00 N ATOM 1457 CA ILE A 96 -5.397 11.471 -1.242 1.00 0.00 C ATOM 1458 C ILE A 96 -6.857 11.017 -1.309 1.00 0.00 C ATOM 1459 O ILE A 96 -7.276 10.130 -0.549 1.00 0.00 O ATOM 1460 CB ILE A 96 -5.340 12.953 -0.806 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -3.915 13.501 -0.965 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -5.783 13.089 0.656 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -2.877 12.804 -0.135 1.00 0.00 C ATOM 0 H ILE A 96 -4.161 12.081 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.894 10.851 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.014 13.527 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.629 13.430 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.917 14.560 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.739 14.137 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.805 12.724 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.120 12.503 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.903 13.259 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.133 12.896 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.840 11.750 -0.409 1.00 0.00 H new ATOM 1475 N GLN A 97 -7.627 11.590 -2.202 1.00 0.00 N ATOM 1476 CA GLN A 97 -9.021 11.193 -2.306 1.00 0.00 C ATOM 1477 C GLN A 97 -9.176 9.939 -3.143 1.00 0.00 C ATOM 1478 O GLN A 97 -10.150 9.236 -3.005 1.00 0.00 O ATOM 1479 CB GLN A 97 -9.974 12.319 -2.804 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.721 12.839 -4.220 1.00 0.00 C ATOM 1481 CD GLN A 97 -8.446 13.626 -4.333 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -8.023 14.282 -3.382 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -7.809 13.548 -5.465 1.00 0.00 N ATOM 0 H GLN A 97 -7.328 12.315 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.334 10.977 -1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.998 11.949 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.903 13.159 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.685 11.996 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.558 13.466 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.194 12.993 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.925 14.042 -5.588 1.00 0.00 H new ATOM 1492 N LYS A 98 -8.179 9.633 -3.965 1.00 0.00 N ATOM 1493 CA LYS A 98 -8.250 8.467 -4.838 1.00 0.00 C ATOM 1494 C LYS A 98 -8.147 7.165 -4.028 1.00 0.00 C ATOM 1495 O LYS A 98 -8.869 6.202 -4.289 1.00 0.00 O ATOM 1496 CB LYS A 98 -7.165 8.505 -5.929 1.00 0.00 C ATOM 1497 CG LYS A 98 -7.218 7.304 -6.868 1.00 0.00 C ATOM 1498 CD LYS A 98 -8.484 7.305 -7.725 1.00 0.00 C ATOM 1499 CE LYS A 98 -8.772 5.919 -8.271 1.00 0.00 C ATOM 1500 NZ LYS A 98 -9.168 5.005 -7.185 1.00 0.00 N1+ ATOM 0 H LYS A 98 -7.317 10.172 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.222 8.494 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.276 9.419 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.184 8.546 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.341 7.311 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.176 6.385 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.330 7.648 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.368 8.008 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.566 5.973 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.888 5.530 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.720 4.078 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.861 5.397 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.202 4.894 -7.184 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.249 7.145 -3.062 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.078 5.984 -2.195 1.00 0.00 C ATOM 1516 C ILE A 99 -8.305 5.836 -1.307 1.00 0.00 C ATOM 1517 O ILE A 99 -8.798 4.724 -1.074 1.00 0.00 O ATOM 1518 CB ILE A 99 -5.795 6.110 -1.332 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -4.560 6.206 -2.246 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.666 4.940 -0.348 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.248 6.317 -1.513 1.00 0.00 C ATOM 0 H ILE A 99 -6.621 7.921 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.968 5.095 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 99 -5.864 7.022 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.530 5.326 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.672 7.073 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.757 5.059 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.530 4.927 0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.620 4.002 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.433 6.380 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.253 7.213 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.108 5.439 -0.882 1.00 0.00 H new ATOM 1533 N THR A 100 -8.809 6.973 -0.849 1.00 0.00 N ATOM 1534 CA THR A 100 -10.017 7.021 -0.061 1.00 0.00 C ATOM 1535 C THR A 100 -11.167 6.423 -0.885 1.00 0.00 C ATOM 1536 O THR A 100 -11.867 5.523 -0.426 1.00 0.00 O ATOM 1537 CB THR A 100 -10.331 8.483 0.330 1.00 0.00 C ATOM 1538 OG1 THR A 100 -9.186 9.054 1.019 1.00 0.00 O ATOM 1539 CG2 THR A 100 -11.574 8.566 1.221 1.00 0.00 C ATOM 0 H THR A 100 -8.386 7.886 -1.017 1.00 0.00 H new ATOM 0 HA THR A 100 -9.890 6.443 0.855 1.00 0.00 H new ATOM 0 HB THR A 100 -10.534 9.048 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.652 9.579 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.768 9.607 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.432 8.158 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.407 7.992 2.132 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.287 6.897 -2.125 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.266 6.417 -3.096 1.00 0.00 C ATOM 1549 C ASP A 101 -12.206 4.912 -3.283 1.00 0.00 C ATOM 1550 O ASP A 101 -13.239 4.253 -3.303 1.00 0.00 O ATOM 1551 CB ASP A 101 -12.085 7.138 -4.458 1.00 0.00 C ATOM 1552 CG ASP A 101 -12.448 6.269 -5.660 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -13.628 6.002 -5.902 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -11.520 5.788 -6.346 1.00 0.00 O1- ATOM 0 H ASP A 101 -10.692 7.642 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.252 6.653 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.702 8.036 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.049 7.462 -4.554 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.006 4.361 -3.394 1.00 0.00 N ATOM 1560 CA GLU A 102 -10.845 2.942 -3.662 1.00 0.00 C ATOM 1561 C GLU A 102 -11.540 2.095 -2.611 1.00 0.00 C ATOM 1562 O GLU A 102 -12.381 1.260 -2.934 1.00 0.00 O ATOM 1563 CB GLU A 102 -9.378 2.545 -3.755 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.125 1.554 -4.876 1.00 0.00 C ATOM 1565 CD GLU A 102 -9.388 2.166 -6.230 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -10.579 2.384 -6.594 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -8.406 2.515 -6.929 1.00 0.00 O1- ATOM 0 H GLU A 102 -10.130 4.876 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.313 2.755 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.771 3.436 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.060 2.109 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.093 1.206 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.763 0.681 -4.741 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.261 2.382 -1.365 1.00 0.00 N ATOM 1575 CA VAL A 103 -11.780 1.580 -0.272 1.00 0.00 C ATOM 1576 C VAL A 103 -13.210 2.013 0.098 1.00 0.00 C ATOM 1577 O VAL A 103 -13.961 1.265 0.706 1.00 0.00 O ATOM 1578 CB VAL A 103 -10.867 1.673 0.963 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -11.186 0.554 1.938 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -9.397 1.651 0.559 1.00 0.00 C ATOM 0 H VAL A 103 -10.676 3.166 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.805 0.543 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.055 2.624 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -10.533 0.632 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.225 0.634 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -11.029 -0.409 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.774 1.718 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.178 0.722 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.187 2.497 -0.095 1.00 0.00 H new ATOM 1590 N LEU A 104 -13.570 3.205 -0.308 1.00 0.00 N ATOM 1591 CA LEU A 104 -14.896 3.773 -0.073 1.00 0.00 C ATOM 1592 C LEU A 104 -15.987 2.861 -0.699 1.00 0.00 C ATOM 1593 O LEU A 104 -17.027 2.606 -0.080 1.00 0.00 O ATOM 1594 CB LEU A 104 -14.917 5.184 -0.693 1.00 0.00 C ATOM 1595 CG LEU A 104 -16.185 6.032 -0.606 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -16.602 6.246 0.833 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -15.927 7.373 -1.271 1.00 0.00 C ATOM 0 H LEU A 104 -12.946 3.828 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.107 3.840 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.112 5.755 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.668 5.079 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.994 5.508 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -17.507 6.853 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -16.796 5.282 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -15.804 6.758 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.826 7.986 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.109 7.881 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.660 7.216 -2.316 1.00 0.00 H new ATOM 1609 N LYS A 105 -15.719 2.326 -1.913 1.00 0.00 N ATOM 1610 CA LYS A 105 -16.670 1.392 -2.554 1.00 0.00 C ATOM 1611 C LYS A 105 -16.732 0.067 -1.803 1.00 0.00 C ATOM 1612 O LYS A 105 -17.758 -0.617 -1.788 1.00 0.00 O ATOM 1613 CB LYS A 105 -16.363 1.103 -4.035 1.00 0.00 C ATOM 1614 CG LYS A 105 -16.584 2.259 -5.027 1.00 0.00 C ATOM 1615 CD LYS A 105 -15.370 3.164 -5.186 1.00 0.00 C ATOM 1616 CE LYS A 105 -14.209 2.459 -5.912 1.00 0.00 C ATOM 1617 NZ LYS A 105 -13.030 3.336 -6.044 1.00 0.00 N1+ ATOM 0 H LYS A 105 -14.876 2.518 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.632 1.903 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.323 0.784 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.978 0.261 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.849 1.846 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -17.432 2.857 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.655 4.057 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.034 3.494 -4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.932 1.558 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.538 2.142 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.233 2.790 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.253 4.123 -6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.772 3.713 -5.110 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.647 -0.254 -1.132 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.495 -1.503 -0.401 1.00 0.00 C ATOM 1633 C LEU A 106 -16.356 -1.558 0.848 1.00 0.00 C ATOM 1634 O LEU A 106 -16.494 -2.621 1.454 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.032 -1.779 -0.043 1.00 0.00 C ATOM 1636 CG LEU A 106 -13.158 -2.505 -1.070 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -13.118 -1.798 -2.409 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -11.764 -2.667 -0.519 1.00 0.00 C ATOM 0 H LEU A 106 -14.829 0.353 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 106 -15.841 -2.285 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.558 -0.823 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.019 -2.364 0.877 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.604 -3.483 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.484 -2.357 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.127 -1.733 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.714 -0.794 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.142 -3.184 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.339 -1.685 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.802 -3.249 0.402 1.00 0.00 H new ATOM 1650 N ARG A 107 -16.945 -0.428 1.247 1.00 0.00 N ATOM 1651 CA ARG A 107 -17.809 -0.419 2.423 1.00 0.00 C ATOM 1652 C ARG A 107 -19.013 -1.335 2.188 1.00 0.00 C ATOM 1653 O ARG A 107 -19.585 -1.884 3.127 1.00 0.00 O ATOM 1654 CB ARG A 107 -18.313 0.977 2.767 1.00 0.00 C ATOM 1655 CG ARG A 107 -18.896 1.042 4.172 1.00 0.00 C ATOM 1656 CD ARG A 107 -19.607 2.346 4.456 1.00 0.00 C ATOM 1657 NE ARG A 107 -19.824 2.516 5.898 1.00 0.00 N ATOM 1658 CZ ARG A 107 -20.849 3.116 6.488 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -21.864 3.617 5.770 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -20.848 3.212 7.809 1.00 0.00 N ATOM 0 H ARG A 107 -16.841 0.474 0.782 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.209 -0.775 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.493 1.690 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.073 1.277 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -19.594 0.216 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -18.095 0.905 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.018 3.178 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.564 2.365 3.935 1.00 0.00 H new ATOM 0 HE ARG A 107 -19.108 2.130 6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -21.856 3.540 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -22.644 4.075 6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.071 2.829 8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.624 3.669 8.288 1.00 0.00 H new ATOM 1674 N ASN A 108 -19.371 -1.518 0.920 1.00 0.00 N ATOM 1675 CA ASN A 108 -20.479 -2.392 0.551 1.00 0.00 C ATOM 1676 C ASN A 108 -20.126 -3.842 0.873 1.00 0.00 C ATOM 1677 O ASN A 108 -20.970 -4.617 1.311 1.00 0.00 O ATOM 1678 CB ASN A 108 -20.833 -2.231 -0.933 1.00 0.00 C ATOM 1679 CG ASN A 108 -22.019 -3.089 -1.351 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -21.862 -4.215 -1.779 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -23.211 -2.551 -1.230 1.00 0.00 N ATOM 0 H ASN A 108 -18.908 -1.071 0.129 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.356 -2.108 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -21.057 -1.184 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.967 -2.495 -1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.040 -3.081 -1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.308 -1.603 -0.867 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.848 -4.162 0.740 1.00 0.00 N ATOM 1689 CA ILE A 109 -18.330 -5.489 1.034 1.00 0.00 C ATOM 1690 C ILE A 109 -18.440 -5.737 2.542 1.00 0.00 C ATOM 1691 O ILE A 109 -18.709 -6.860 2.996 1.00 0.00 O ATOM 1692 CB ILE A 109 -16.844 -5.620 0.567 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -16.712 -5.310 -0.945 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -16.269 -6.999 0.883 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -17.514 -6.228 -1.858 1.00 0.00 C ATOM 0 H ILE A 109 -18.136 -3.504 0.423 1.00 0.00 H new ATOM 0 HA ILE A 109 -18.914 -6.234 0.494 1.00 0.00 H new ATOM 0 HB ILE A 109 -16.264 -4.885 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -17.028 -4.281 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -15.660 -5.372 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -15.235 -7.049 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -16.305 -7.171 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -16.856 -7.763 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -17.359 -5.934 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -17.185 -7.258 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -18.573 -6.150 -1.613 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.274 -4.667 3.311 1.00 0.00 N ATOM 1708 CA LYS A 110 -18.428 -4.740 4.746 1.00 0.00 C ATOM 1709 C LYS A 110 -19.891 -4.987 5.094 1.00 0.00 C ATOM 1710 O LYS A 110 -20.188 -5.791 5.955 1.00 0.00 O ATOM 1711 CB LYS A 110 -17.938 -3.460 5.436 1.00 0.00 C ATOM 1712 CG LYS A 110 -18.061 -3.519 6.952 1.00 0.00 C ATOM 1713 CD LYS A 110 -17.650 -2.223 7.613 1.00 0.00 C ATOM 1714 CE LYS A 110 -17.733 -2.348 9.127 1.00 0.00 C ATOM 1715 NZ LYS A 110 -17.295 -1.122 9.808 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.033 -3.741 2.958 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.817 -5.567 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -16.896 -3.285 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.510 -2.611 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -19.091 -3.751 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.441 -4.331 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.633 -1.964 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -18.296 -1.414 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.759 -2.576 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.116 -3.185 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.059 -1.340 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.456 -0.739 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.060 -0.418 9.781 1.00 0.00 H new ATOM 1729 N LEU A 111 -20.788 -4.302 4.390 1.00 0.00 N ATOM 1730 CA LEU A 111 -22.240 -4.438 4.601 1.00 0.00 C ATOM 1731 C LEU A 111 -22.687 -5.864 4.315 1.00 0.00 C ATOM 1732 O LEU A 111 -23.550 -6.398 4.997 1.00 0.00 O ATOM 1733 CB LEU A 111 -23.012 -3.476 3.685 1.00 0.00 C ATOM 1734 CG LEU A 111 -22.683 -1.985 3.808 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -23.483 -1.186 2.789 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -22.962 -1.480 5.218 1.00 0.00 C ATOM 0 H LEU A 111 -20.538 -3.637 3.658 1.00 0.00 H new ATOM 0 HA LEU A 111 -22.452 -4.193 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -22.837 -3.778 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -24.077 -3.605 3.879 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.620 -1.850 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.241 -0.128 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.233 -1.525 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -24.548 -1.332 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -22.720 -0.419 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -24.016 -1.626 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -22.350 -2.033 5.930 1.00 0.00 H new ATOM 1748 N GLU A 112 -22.094 -6.466 3.299 1.00 0.00 N ATOM 1749 CA GLU A 112 -22.406 -7.832 2.950 1.00 0.00 C ATOM 1750 C GLU A 112 -21.859 -8.745 4.052 1.00 0.00 C ATOM 1751 O GLU A 112 -22.560 -9.586 4.559 1.00 0.00 O ATOM 1752 CB GLU A 112 -21.802 -8.177 1.558 1.00 0.00 C ATOM 1753 CG GLU A 112 -22.449 -9.366 0.791 1.00 0.00 C ATOM 1754 CD GLU A 112 -22.220 -10.747 1.395 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -21.200 -11.385 1.073 1.00 0.00 O ATOM 1756 OE2 GLU A 112 -23.062 -11.217 2.188 1.00 0.00 O1- ATOM 0 H GLU A 112 -21.393 -6.026 2.703 1.00 0.00 H new ATOM 0 HA GLU A 112 -23.484 -7.976 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -21.869 -7.290 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -20.742 -8.394 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -23.523 -9.191 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -22.065 -9.368 -0.229 1.00 0.00 H new ATOM 1763 N HIS A 113 -20.625 -8.518 4.471 1.00 0.00 N ATOM 1764 CA HIS A 113 -20.004 -9.388 5.459 1.00 0.00 C ATOM 1765 C HIS A 113 -20.252 -9.231 6.922 1.00 0.00 C ATOM 1766 O HIS A 113 -19.970 -10.148 7.676 1.00 0.00 O ATOM 1767 CB HIS A 113 -18.756 -10.127 5.068 1.00 0.00 C ATOM 1768 CG HIS A 113 -19.137 -11.285 4.231 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -20.057 -12.225 4.659 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -18.850 -11.594 2.963 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -20.313 -13.053 3.680 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -19.601 -12.693 2.628 1.00 0.00 N ATOM 0 H HIS A 113 -20.038 -7.749 4.148 1.00 0.00 H new ATOM 0 HA HIS A 113 -20.813 -10.105 5.318 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -18.083 -9.469 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -18.221 -10.462 5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -18.155 -11.075 2.320 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -20.993 -13.891 3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -19.608 -13.154 1.718 1.00 0.00 H new ATOM 1781 N LEU A 114 -20.756 -8.093 7.341 1.00 0.00 N ATOM 1782 CA LEU A 114 -21.195 -7.937 8.737 1.00 0.00 C ATOM 1783 C LEU A 114 -22.480 -8.751 8.968 1.00 0.00 C ATOM 1784 O LEU A 114 -22.971 -8.879 10.086 1.00 0.00 O ATOM 1785 CB LEU A 114 -21.389 -6.433 9.103 1.00 0.00 C ATOM 1786 CG LEU A 114 -22.325 -5.573 8.205 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -23.804 -5.944 8.339 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -22.119 -4.093 8.492 1.00 0.00 C ATOM 0 H LEU A 114 -20.877 -7.265 6.757 1.00 0.00 H new ATOM 0 HA LEU A 114 -20.419 -8.323 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -21.770 -6.385 10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -20.406 -5.962 9.107 1.00 0.00 H new ATOM 0 HG LEU A 114 -22.048 -5.788 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -24.400 -5.306 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -23.945 -6.987 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -24.122 -5.804 9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -22.780 -3.504 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -22.346 -3.890 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -21.083 -3.823 8.287 1.00 0.00 H new ATOM 1800 N LYS A 115 -23.005 -9.247 7.870 1.00 0.00 N ATOM 1801 CA LYS A 115 -24.175 -10.031 7.821 1.00 0.00 C ATOM 1802 C LYS A 115 -23.733 -11.490 7.578 1.00 0.00 C ATOM 1803 O LYS A 115 -23.035 -11.744 6.536 1.00 0.00 O ATOM 1804 CB LYS A 115 -25.088 -9.488 6.678 1.00 0.00 C ATOM 1805 CG LYS A 115 -26.467 -10.168 6.463 1.00 0.00 C ATOM 1806 CD LYS A 115 -26.426 -11.622 5.913 1.00 0.00 C ATOM 1807 CE LYS A 115 -25.866 -11.755 4.475 1.00 0.00 C ATOM 1808 NZ LYS A 115 -24.417 -11.487 4.369 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -24.116 -12.362 8.335 1.00 0.00 O1- ATOM 0 H LYS A 115 -22.590 -9.095 6.951 1.00 0.00 H new ATOM 0 HA LYS A 115 -24.750 -9.987 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -25.263 -8.429 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -24.531 -9.559 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -27.000 -10.174 7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -27.050 -9.556 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -25.819 -12.232 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -27.435 -12.033 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -26.067 -12.762 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -26.402 -11.066 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -24.046 -11.924 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -24.255 -10.460 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.928 -11.888 5.195 1.00 0.00 H new