USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 TYR OH : rot 167:sc= -0.384! USER MOD Set 1.2: A 37 MET CE :methyl -142:sc= -0.874 (180deg=-1.65) USER MOD Set 2.1: A 34 SER OG : rot 80:sc= 1.31 USER MOD Set 2.2: A 43 TYR OH : rot 165:sc= 1.06 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -9.21! C(o=-8.9!,f=-9!) USER MOD Set 3.2: A 27 ASN : amide:sc= 0.355 X(o=-8.9,f=-9) USER MOD Single : A 5 SER OG : rot 32:sc= 0.421 USER MOD Single : A 6 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.2) USER MOD Single : A 7 GLN :FLIP amide:sc= -1.38 F(o=-2,f=-1.4) USER MOD Single : A 10 THR OG1 : rot -77:sc= -0.41 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.84) USER MOD Single : A 20 SER OG : rot -18:sc= -0.106 USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 0.811 (180deg=-0.119) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.68! C(o=-4.8!,f=-2.7!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0486 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.178 (180deg=-0.709) USER MOD Single : A 38 GLN : amide:sc=-0.00531 K(o=-0.0053,f=-0.84) USER MOD Single : A 40 SER OG : rot 130:sc= 0.844 USER MOD Single : A 44 GLN : amide:sc= 1.17 K(o=1.2,f=-1.3) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.667 K(o=-0.67,f=-4.7!) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -6.32! C(o=-6.8!,f=-6.3!) USER MOD Single : A 64 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-5.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -3.95! C(o=-3.9!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -18.825 5.335 -1.872 1.00 0.00 N ATOM 2 CA SER A 5 -17.558 4.743 -2.277 1.00 0.00 C ATOM 3 C SER A 5 -16.431 5.183 -1.343 1.00 0.00 C ATOM 4 O SER A 5 -15.326 5.496 -1.785 1.00 0.00 O ATOM 5 CB SER A 5 -17.233 5.138 -3.718 1.00 0.00 C ATOM 6 OG SER A 5 -18.409 5.168 -4.517 1.00 0.00 O ATOM 0 HA SER A 5 -17.649 3.658 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.755 6.118 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.520 4.430 -4.141 1.00 0.00 H new ATOM 0 HG SER A 5 -19.173 5.436 -3.965 1.00 0.00 H new ATOM 12 N GLN A 6 -16.716 5.203 -0.048 1.00 0.00 N ATOM 13 CA GLN A 6 -15.728 5.598 0.948 1.00 0.00 C ATOM 14 C GLN A 6 -14.624 4.557 1.066 1.00 0.00 C ATOM 15 O GLN A 6 -13.480 4.889 1.378 1.00 0.00 O ATOM 16 CB GLN A 6 -16.385 5.815 2.305 1.00 0.00 C ATOM 17 CG GLN A 6 -17.307 7.022 2.350 1.00 0.00 C ATOM 18 CD GLN A 6 -16.606 8.302 1.941 1.00 0.00 C ATOM 19 OE1 GLN A 6 -15.994 8.978 2.767 1.00 0.00 O ATOM 20 NE2 GLN A 6 -16.708 8.655 0.668 1.00 0.00 N ATOM 0 H GLN A 6 -17.625 4.950 0.338 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.284 6.537 0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.954 4.924 2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.608 5.934 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.158 6.850 1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.704 7.135 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.225 8.066 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.270 9.516 0.341 1.00 0.00 H new ATOM 29 N GLN A 7 -14.973 3.301 0.799 1.00 0.00 N ATOM 30 CA GLN A 7 -14.014 2.202 0.852 1.00 0.00 C ATOM 31 C GLN A 7 -12.870 2.438 -0.130 1.00 0.00 C ATOM 32 O GLN A 7 -11.736 2.037 0.115 1.00 0.00 O ATOM 33 CB GLN A 7 -14.705 0.882 0.542 1.00 0.00 C ATOM 34 CG GLN A 7 -13.873 -0.327 0.879 1.00 0.00 C ATOM 35 CD GLN A 7 -13.492 -0.401 2.344 1.00 0.00 C ATOM 36 OE1 GLN A 7 -12.359 -1.024 2.624 1.00 0.00 O flip ATOM 37 NE2 GLN A 7 -14.214 0.084 3.215 1.00 0.00 N flip ATOM 0 H GLN A 7 -15.919 3.019 0.542 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.602 2.156 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.643 0.833 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.959 0.854 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.425 -1.227 0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.966 -0.316 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.080 0.556 2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.946 0.014 4.197 1.00 0.00 H new ATOM 46 N ILE A 8 -13.182 3.112 -1.232 1.00 0.00 N ATOM 47 CA ILE A 8 -12.194 3.429 -2.257 1.00 0.00 C ATOM 48 C ILE A 8 -11.061 4.277 -1.690 1.00 0.00 C ATOM 49 O ILE A 8 -9.913 4.202 -2.132 1.00 0.00 O ATOM 50 CB ILE A 8 -12.847 4.163 -3.433 1.00 0.00 C ATOM 51 CG1 ILE A 8 -13.949 3.298 -4.015 1.00 0.00 C ATOM 52 CG2 ILE A 8 -11.822 4.523 -4.502 1.00 0.00 C ATOM 53 CD1 ILE A 8 -13.512 1.891 -4.302 1.00 0.00 C ATOM 0 H ILE A 8 -14.121 3.452 -1.439 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.778 2.486 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.275 5.097 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.789 3.275 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.310 3.754 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.318 5.042 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.059 5.171 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.355 3.613 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.348 1.328 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.692 1.904 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.178 1.418 -3.378 1.00 0.00 H new ATOM 65 N ALA A 9 -11.397 5.068 -0.691 1.00 0.00 N ATOM 66 CA ALA A 9 -10.444 5.975 -0.075 1.00 0.00 C ATOM 67 C ALA A 9 -9.827 5.355 1.166 1.00 0.00 C ATOM 68 O ALA A 9 -8.613 5.303 1.307 1.00 0.00 O ATOM 69 CB ALA A 9 -11.117 7.297 0.265 1.00 0.00 C ATOM 0 H ALA A 9 -12.332 5.102 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.643 6.165 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.391 7.967 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.504 7.753 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.938 7.119 0.959 1.00 0.00 H new ATOM 75 N THR A 10 -10.682 4.868 2.044 1.00 0.00 N ATOM 76 CA THR A 10 -10.263 4.309 3.319 1.00 0.00 C ATOM 77 C THR A 10 -9.394 3.062 3.154 1.00 0.00 C ATOM 78 O THR A 10 -8.428 2.881 3.891 1.00 0.00 O ATOM 79 CB THR A 10 -11.475 3.977 4.204 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.402 3.158 3.480 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.169 5.247 4.675 1.00 0.00 C ATOM 0 H THR A 10 -11.691 4.848 1.895 1.00 0.00 H new ATOM 0 HA THR A 10 -9.660 5.077 3.804 1.00 0.00 H new ATOM 0 HB THR A 10 -11.119 3.434 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.908 3.714 2.851 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.023 4.985 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.469 5.851 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.512 5.816 3.811 1.00 0.00 H new ATOM 89 N ALA A 11 -9.726 2.200 2.194 1.00 0.00 N ATOM 90 CA ALA A 11 -8.917 1.011 1.943 1.00 0.00 C ATOM 91 C ALA A 11 -7.544 1.416 1.439 1.00 0.00 C ATOM 92 O ALA A 11 -6.531 0.853 1.847 1.00 0.00 O ATOM 93 CB ALA A 11 -9.593 0.079 0.952 1.00 0.00 C ATOM 0 H ALA A 11 -10.538 2.301 1.585 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.808 0.470 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.964 -0.796 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.557 -0.237 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.743 0.600 0.007 1.00 0.00 H new ATOM 99 N LYS A 12 -7.520 2.407 0.557 1.00 0.00 N ATOM 100 CA LYS A 12 -6.267 2.966 0.087 1.00 0.00 C ATOM 101 C LYS A 12 -5.526 3.600 1.251 1.00 0.00 C ATOM 102 O LYS A 12 -4.347 3.367 1.442 1.00 0.00 O ATOM 103 CB LYS A 12 -6.515 4.009 -1.001 1.00 0.00 C ATOM 104 CG LYS A 12 -5.235 4.612 -1.551 1.00 0.00 C ATOM 105 CD LYS A 12 -5.510 5.620 -2.650 1.00 0.00 C ATOM 106 CE LYS A 12 -4.227 6.286 -3.112 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.468 7.253 -4.210 1.00 0.00 N ATOM 0 H LYS A 12 -8.354 2.837 0.156 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.663 2.164 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.073 3.549 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.140 4.805 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.686 5.096 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.597 3.818 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.989 5.122 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.207 6.376 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.762 6.801 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.523 5.524 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.566 7.685 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.888 6.758 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.119 7.995 -3.883 1.00 0.00 H new ATOM 121 N ASP A 13 -6.255 4.384 2.024 1.00 0.00 N ATOM 122 CA ASP A 13 -5.730 5.064 3.208 1.00 0.00 C ATOM 123 C ASP A 13 -5.092 4.074 4.184 1.00 0.00 C ATOM 124 O ASP A 13 -3.980 4.302 4.663 1.00 0.00 O ATOM 125 CB ASP A 13 -6.875 5.806 3.912 1.00 0.00 C ATOM 126 CG ASP A 13 -6.395 6.737 5.006 1.00 0.00 C ATOM 127 OD1 ASP A 13 -6.230 6.276 6.155 1.00 0.00 O ATOM 128 OD2 ASP A 13 -6.201 7.940 4.730 1.00 0.00 O ATOM 0 H ASP A 13 -7.242 4.573 1.850 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.961 5.767 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.436 6.380 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.564 5.077 4.339 1.00 0.00 H new ATOM 133 N LYS A 14 -5.801 2.993 4.501 1.00 0.00 N ATOM 134 CA LYS A 14 -5.243 1.948 5.327 1.00 0.00 C ATOM 135 C LYS A 14 -4.011 1.358 4.677 1.00 0.00 C ATOM 136 O LYS A 14 -2.969 1.279 5.306 1.00 0.00 O ATOM 137 CB LYS A 14 -6.271 0.852 5.574 1.00 0.00 C ATOM 138 CG LYS A 14 -6.821 0.853 6.984 1.00 0.00 C ATOM 139 CD LYS A 14 -8.112 1.652 7.095 1.00 0.00 C ATOM 140 CE LYS A 14 -9.223 1.056 6.237 1.00 0.00 C ATOM 141 NZ LYS A 14 -9.598 -0.318 6.668 1.00 0.00 N ATOM 0 H LYS A 14 -6.760 2.826 4.195 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.961 2.388 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.095 0.971 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.815 -0.117 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.002 -0.174 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.077 1.271 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.433 1.681 8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.929 2.682 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.101 1.701 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.901 1.032 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.523 -0.568 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.881 -0.994 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.653 -0.353 7.706 1.00 0.00 H new ATOM 155 N TYR A 15 -4.132 0.966 3.415 1.00 0.00 N ATOM 156 CA TYR A 15 -3.013 0.387 2.685 1.00 0.00 C ATOM 157 C TYR A 15 -1.823 1.339 2.672 1.00 0.00 C ATOM 158 O TYR A 15 -0.673 0.925 2.822 1.00 0.00 O ATOM 159 CB TYR A 15 -3.422 0.061 1.256 1.00 0.00 C ATOM 160 CG TYR A 15 -2.286 -0.487 0.435 1.00 0.00 C ATOM 161 CD1 TYR A 15 -1.993 -1.838 0.456 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.509 0.348 -0.353 1.00 0.00 C ATOM 163 CE1 TYR A 15 -0.951 -2.351 -0.284 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.462 -0.157 -1.101 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.190 -1.509 -1.059 1.00 0.00 C ATOM 166 OH TYR A 15 0.849 -2.022 -1.787 1.00 0.00 O ATOM 0 H TYR A 15 -4.995 1.039 2.876 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.721 -0.532 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.235 -0.664 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.808 0.962 0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.591 -2.502 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.724 1.406 -0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.733 -3.408 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.138 0.501 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 15 1.159 -1.352 -2.431 1.00 0.00 H new ATOM 176 N GLU A 16 -2.116 2.611 2.470 1.00 0.00 N ATOM 177 CA GLU A 16 -1.127 3.663 2.546 1.00 0.00 C ATOM 178 C GLU A 16 -0.390 3.612 3.883 1.00 0.00 C ATOM 179 O GLU A 16 0.836 3.768 3.936 1.00 0.00 O ATOM 180 CB GLU A 16 -1.814 5.009 2.335 1.00 0.00 C ATOM 181 CG GLU A 16 -2.087 5.315 0.877 1.00 0.00 C ATOM 182 CD GLU A 16 -1.686 6.725 0.497 1.00 0.00 C ATOM 183 OE1 GLU A 16 -0.474 7.034 0.522 1.00 0.00 O ATOM 184 OE2 GLU A 16 -2.582 7.537 0.181 1.00 0.00 O ATOM 0 H GLU A 16 -3.055 2.942 2.247 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.381 3.524 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.755 5.020 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.190 5.798 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.545 4.605 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.148 5.174 0.672 1.00 0.00 H new ATOM 191 N TRP A 17 -1.130 3.350 4.958 1.00 0.00 N ATOM 192 CA TRP A 17 -0.513 3.150 6.249 1.00 0.00 C ATOM 193 C TRP A 17 0.173 1.814 6.288 1.00 0.00 C ATOM 194 O TRP A 17 1.227 1.698 6.872 1.00 0.00 O ATOM 195 CB TRP A 17 -1.519 3.210 7.390 1.00 0.00 C ATOM 196 CG TRP A 17 -1.082 2.450 8.603 1.00 0.00 C ATOM 197 CD1 TRP A 17 -0.017 2.687 9.379 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.703 1.307 9.132 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.039 1.782 10.405 1.00 0.00 N ATOM 200 CE2 TRP A 17 -1.004 0.921 10.274 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.794 0.599 8.743 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -1.391 -0.166 11.041 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -3.189 -0.489 9.488 1.00 0.00 C ATOM 204 CH2 TRP A 17 -2.488 -0.856 10.638 1.00 0.00 C ATOM 0 H TRP A 17 -2.147 3.274 4.953 1.00 0.00 H new ATOM 0 HA TRP A 17 0.205 3.959 6.383 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.687 4.252 7.663 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.474 2.813 7.045 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.698 3.481 9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.744 1.758 11.142 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.345 0.886 7.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.841 -0.453 11.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.050 -1.064 9.180 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.824 -1.703 11.217 1.00 0.00 H new ATOM 215 N LEU A 18 -0.428 0.799 5.692 1.00 0.00 N ATOM 216 CA LEU A 18 0.152 -0.528 5.742 1.00 0.00 C ATOM 217 C LEU A 18 1.595 -0.451 5.257 1.00 0.00 C ATOM 218 O LEU A 18 2.521 -0.958 5.894 1.00 0.00 O ATOM 219 CB LEU A 18 -0.622 -1.532 4.858 1.00 0.00 C ATOM 220 CG LEU A 18 -1.734 -2.337 5.540 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.134 -3.442 6.392 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.575 -1.426 6.397 1.00 0.00 C ATOM 0 H LEU A 18 -1.305 0.867 5.175 1.00 0.00 H new ATOM 0 HA LEU A 18 0.101 -0.881 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.061 -0.983 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.095 -2.235 4.434 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.364 -2.787 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.934 -4.007 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.546 -4.109 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.491 -3.004 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.363 -2.005 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.948 -0.962 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.023 -0.651 5.774 1.00 0.00 H new ATOM 234 N VAL A 19 1.759 0.225 4.130 1.00 0.00 N ATOM 235 CA VAL A 19 3.071 0.502 3.576 1.00 0.00 C ATOM 236 C VAL A 19 3.913 1.323 4.546 1.00 0.00 C ATOM 237 O VAL A 19 5.087 1.062 4.704 1.00 0.00 O ATOM 238 CB VAL A 19 2.981 1.230 2.213 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.360 1.638 1.720 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.313 0.336 1.187 1.00 0.00 C ATOM 0 H VAL A 19 0.987 0.595 3.576 1.00 0.00 H new ATOM 0 HA VAL A 19 3.554 -0.462 3.414 1.00 0.00 H new ATOM 0 HB VAL A 19 2.384 2.131 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.267 2.147 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.821 2.309 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.981 0.750 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.255 0.858 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.895 -0.577 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.308 0.083 1.524 1.00 0.00 H new ATOM 250 N SER A 20 3.320 2.302 5.212 1.00 0.00 N ATOM 251 CA SER A 20 4.069 3.100 6.171 1.00 0.00 C ATOM 252 C SER A 20 4.373 2.310 7.443 1.00 0.00 C ATOM 253 O SER A 20 5.344 2.587 8.145 1.00 0.00 O ATOM 254 CB SER A 20 3.307 4.379 6.515 1.00 0.00 C ATOM 255 OG SER A 20 2.177 4.132 7.331 1.00 0.00 O ATOM 0 H SER A 20 2.339 2.561 5.109 1.00 0.00 H new ATOM 0 HA SER A 20 5.018 3.366 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.976 5.071 7.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.987 4.867 5.594 1.00 0.00 H new ATOM 0 HG SER A 20 1.941 3.182 7.284 1.00 0.00 H new ATOM 261 N ARG A 21 3.542 1.315 7.724 1.00 0.00 N ATOM 262 CA ARG A 21 3.652 0.544 8.918 1.00 0.00 C ATOM 263 C ARG A 21 4.727 -0.519 8.733 1.00 0.00 C ATOM 264 O ARG A 21 5.270 -1.063 9.692 1.00 0.00 O ATOM 265 CB ARG A 21 2.284 -0.051 9.274 1.00 0.00 C ATOM 266 CG ARG A 21 2.151 -1.476 8.890 1.00 0.00 C ATOM 267 CD ARG A 21 0.881 -2.089 9.447 1.00 0.00 C ATOM 268 NE ARG A 21 0.792 -3.527 9.206 1.00 0.00 N ATOM 269 CZ ARG A 21 0.353 -4.398 10.116 1.00 0.00 C ATOM 270 NH1 ARG A 21 0.086 -3.991 11.351 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.204 -5.677 9.801 1.00 0.00 N ATOM 0 H ARG A 21 2.774 1.032 7.115 1.00 0.00 H new ATOM 0 HA ARG A 21 3.955 1.172 9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.120 0.046 10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.503 0.527 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.151 -1.562 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.014 -2.033 9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.833 -1.902 10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.018 -1.596 8.998 1.00 0.00 H new ATOM 0 HE ARG A 21 1.080 -3.883 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.216 -3.012 11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.250 -4.658 12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.425 -5.999 8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.132 -6.339 10.501 1.00 0.00 H new ATOM 285 N ILE A 22 5.037 -0.782 7.474 1.00 0.00 N ATOM 286 CA ILE A 22 6.101 -1.711 7.112 1.00 0.00 C ATOM 287 C ILE A 22 7.308 -0.943 6.567 1.00 0.00 C ATOM 288 O ILE A 22 8.356 -0.864 7.207 1.00 0.00 O ATOM 289 CB ILE A 22 5.641 -2.725 6.052 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.348 -3.409 6.484 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.727 -3.761 5.807 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.469 -4.264 7.723 1.00 0.00 C ATOM 0 H ILE A 22 4.562 -0.361 6.676 1.00 0.00 H new ATOM 0 HA ILE A 22 6.374 -2.255 8.016 1.00 0.00 H new ATOM 0 HB ILE A 22 5.451 -2.187 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.590 -2.645 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.990 -4.031 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.388 -4.473 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.631 -3.264 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.942 -4.290 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.501 -4.709 7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.200 -5.054 7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.793 -3.647 8.561 1.00 0.00 H new ATOM 304 N VAL A 23 7.110 -0.350 5.394 1.00 0.00 N ATOM 305 CA VAL A 23 8.122 0.417 4.682 1.00 0.00 C ATOM 306 C VAL A 23 8.388 1.751 5.372 1.00 0.00 C ATOM 307 O VAL A 23 7.520 2.623 5.427 1.00 0.00 O ATOM 308 CB VAL A 23 7.633 0.654 3.243 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.646 1.448 2.451 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.341 -0.673 2.564 1.00 0.00 C ATOM 0 H VAL A 23 6.218 -0.392 4.901 1.00 0.00 H new ATOM 0 HA VAL A 23 9.057 -0.143 4.675 1.00 0.00 H new ATOM 0 HB VAL A 23 6.712 1.235 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.276 1.602 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.805 2.414 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.588 0.901 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.996 -0.493 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.249 -1.276 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.569 -1.204 3.120 1.00 0.00 H new ATOM 320 N LYS A 24 9.596 1.902 5.892 1.00 0.00 N ATOM 321 CA LYS A 24 9.947 3.088 6.652 1.00 0.00 C ATOM 322 C LYS A 24 10.921 3.970 5.882 1.00 0.00 C ATOM 323 O LYS A 24 10.640 5.135 5.607 1.00 0.00 O ATOM 324 CB LYS A 24 10.568 2.702 7.985 1.00 0.00 C ATOM 325 CG LYS A 24 9.766 1.704 8.767 1.00 0.00 C ATOM 326 CD LYS A 24 8.478 2.286 9.230 1.00 0.00 C ATOM 327 CE LYS A 24 7.958 1.521 10.426 1.00 0.00 C ATOM 328 NZ LYS A 24 7.857 0.056 10.167 1.00 0.00 N ATOM 0 H LYS A 24 10.348 1.219 5.801 1.00 0.00 H new ATOM 0 HA LYS A 24 9.028 3.648 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.562 2.293 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.697 3.601 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.570 0.828 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.344 1.364 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.618 3.334 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.746 2.255 8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.617 1.692 11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.976 1.907 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.873 -0.253 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.155 -0.145 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.473 -0.457 10.830 1.00 0.00 H new ATOM 342 N ASN A 25 12.070 3.408 5.534 1.00 0.00 N ATOM 343 CA ASN A 25 13.129 4.188 4.904 1.00 0.00 C ATOM 344 C ASN A 25 13.044 4.150 3.377 1.00 0.00 C ATOM 345 O ASN A 25 13.993 4.552 2.703 1.00 0.00 O ATOM 346 CB ASN A 25 14.512 3.711 5.375 1.00 0.00 C ATOM 347 CG ASN A 25 15.003 2.425 4.727 1.00 0.00 C ATOM 348 OD1 ASN A 25 14.106 1.516 4.391 1.00 0.00 O flip ATOM 349 ND2 ASN A 25 16.205 2.254 4.531 1.00 0.00 N flip ATOM 0 H ASN A 25 12.293 2.423 5.675 1.00 0.00 H new ATOM 0 HA ASN A 25 12.988 5.224 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.238 4.500 5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.482 3.568 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.874 2.975 4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.533 1.391 4.098 1.00 0.00 H new ATOM 356 N HIS A 26 11.918 3.633 2.853 1.00 0.00 N ATOM 357 CA HIS A 26 11.624 3.567 1.400 1.00 0.00 C ATOM 358 C HIS A 26 12.647 2.738 0.624 1.00 0.00 C ATOM 359 O HIS A 26 12.545 2.594 -0.594 1.00 0.00 O ATOM 360 CB HIS A 26 11.485 4.965 0.745 1.00 0.00 C ATOM 361 CG HIS A 26 12.766 5.682 0.458 1.00 0.00 C ATOM 362 ND1 HIS A 26 12.999 6.934 0.931 1.00 0.00 N ATOM 363 CD2 HIS A 26 13.878 5.330 -0.239 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.197 7.332 0.561 1.00 0.00 C ATOM 365 NE2 HIS A 26 14.752 6.377 -0.152 1.00 0.00 N ATOM 0 H HIS A 26 11.173 3.243 3.430 1.00 0.00 H new ATOM 0 HA HIS A 26 10.658 3.065 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.936 4.854 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.878 5.592 1.398 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.040 4.399 -0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.649 8.283 0.802 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.681 6.412 -0.571 1.00 0.00 H new ATOM 374 N ASN A 27 13.629 2.205 1.318 1.00 0.00 N ATOM 375 CA ASN A 27 14.697 1.466 0.676 1.00 0.00 C ATOM 376 C ASN A 27 14.384 -0.023 0.716 1.00 0.00 C ATOM 377 O ASN A 27 15.260 -0.874 0.551 1.00 0.00 O ATOM 378 CB ASN A 27 16.034 1.795 1.345 1.00 0.00 C ATOM 379 CG ASN A 27 16.747 2.948 0.686 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.568 2.745 -0.207 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.450 4.165 1.093 1.00 0.00 N ATOM 0 H ASN A 27 13.711 2.270 2.333 1.00 0.00 H new ATOM 0 HA ASN A 27 14.777 1.759 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.861 2.032 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.675 0.914 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.905 4.971 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.765 4.301 1.836 1.00 0.00 H new ATOM 388 N GLU A 28 13.114 -0.309 0.973 1.00 0.00 N ATOM 389 CA GLU A 28 12.559 -1.644 0.867 1.00 0.00 C ATOM 390 C GLU A 28 12.407 -2.042 -0.607 1.00 0.00 C ATOM 391 O GLU A 28 12.722 -1.263 -1.507 1.00 0.00 O ATOM 392 CB GLU A 28 11.178 -1.691 1.538 1.00 0.00 C ATOM 393 CG GLU A 28 11.177 -1.657 3.067 1.00 0.00 C ATOM 394 CD GLU A 28 11.480 -0.292 3.676 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.668 0.688 2.929 1.00 0.00 O ATOM 396 OE2 GLU A 28 11.505 -0.194 4.922 1.00 0.00 O ATOM 0 H GLU A 28 12.434 0.393 1.265 1.00 0.00 H new ATOM 0 HA GLU A 28 13.237 -2.339 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.590 -0.848 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.669 -2.598 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.202 -1.990 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.912 -2.374 3.433 1.00 0.00 H new ATOM 403 N ASN A 29 11.905 -3.250 -0.845 1.00 0.00 N ATOM 404 CA ASN A 29 11.673 -3.740 -2.206 1.00 0.00 C ATOM 405 C ASN A 29 10.251 -4.270 -2.346 1.00 0.00 C ATOM 406 O ASN A 29 9.892 -5.247 -1.694 1.00 0.00 O ATOM 407 CB ASN A 29 12.672 -4.843 -2.572 1.00 0.00 C ATOM 408 CG ASN A 29 14.076 -4.319 -2.786 1.00 0.00 C ATOM 409 OD1 ASN A 29 14.423 -3.878 -3.881 1.00 0.00 O ATOM 410 ND2 ASN A 29 14.901 -4.383 -1.751 1.00 0.00 N ATOM 0 H ASN A 29 11.649 -3.912 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 29 11.813 -2.903 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.686 -5.591 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.335 -5.345 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.864 -4.059 -1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.573 -4.756 -0.860 1.00 0.00 H new ATOM 417 N TRP A 30 9.472 -3.638 -3.232 1.00 0.00 N ATOM 418 CA TRP A 30 8.030 -3.883 -3.354 1.00 0.00 C ATOM 419 C TRP A 30 7.635 -5.356 -3.209 1.00 0.00 C ATOM 420 O TRP A 30 6.916 -5.706 -2.277 1.00 0.00 O ATOM 421 CB TRP A 30 7.492 -3.312 -4.667 1.00 0.00 C ATOM 422 CG TRP A 30 6.190 -3.905 -5.040 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.939 -4.578 -6.165 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.983 -3.899 -4.285 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.643 -5.034 -6.176 1.00 0.00 N ATOM 426 CE2 TRP A 30 4.029 -4.616 -5.022 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.623 -3.355 -3.059 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.730 -4.814 -4.565 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.342 -3.540 -2.608 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.403 -4.263 -3.356 1.00 0.00 C ATOM 0 H TRP A 30 9.825 -2.940 -3.887 1.00 0.00 H new ATOM 0 HA TRP A 30 7.570 -3.363 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.384 -2.231 -4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.214 -3.493 -5.463 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.655 -4.741 -6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.211 -5.588 -6.915 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.338 -2.797 -2.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.011 -5.378 -5.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.050 -3.120 -1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.402 -4.388 -2.971 1.00 0.00 H new ATOM 441 N LEU A 31 8.105 -6.206 -4.112 1.00 0.00 N ATOM 442 CA LEU A 31 7.643 -7.585 -4.170 1.00 0.00 C ATOM 443 C LEU A 31 7.805 -8.317 -2.842 1.00 0.00 C ATOM 444 O LEU A 31 6.849 -8.890 -2.326 1.00 0.00 O ATOM 445 CB LEU A 31 8.359 -8.317 -5.287 1.00 0.00 C ATOM 446 CG LEU A 31 7.887 -7.926 -6.669 1.00 0.00 C ATOM 447 CD1 LEU A 31 8.758 -8.568 -7.721 1.00 0.00 C ATOM 448 CD2 LEU A 31 6.426 -8.311 -6.867 1.00 0.00 C ATOM 0 H LEU A 31 8.805 -5.965 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 31 6.573 -7.566 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.429 -8.123 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.219 -9.390 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 31 7.967 -6.844 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.407 -8.278 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.789 -8.238 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.709 -9.652 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.106 -8.021 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.314 -9.389 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.811 -7.799 -6.127 1.00 0.00 H new ATOM 460 N SER A 32 9.001 -8.283 -2.281 1.00 0.00 N ATOM 461 CA SER A 32 9.280 -8.975 -1.034 1.00 0.00 C ATOM 462 C SER A 32 8.570 -8.320 0.156 1.00 0.00 C ATOM 463 O SER A 32 8.288 -8.975 1.161 1.00 0.00 O ATOM 464 CB SER A 32 10.773 -8.999 -0.792 1.00 0.00 C ATOM 465 OG SER A 32 11.482 -9.009 -2.025 1.00 0.00 O ATOM 0 H SER A 32 9.799 -7.781 -2.671 1.00 0.00 H new ATOM 0 HA SER A 32 8.900 -9.993 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.065 -8.128 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.038 -9.880 -0.207 1.00 0.00 H new ATOM 0 HG SER A 32 12.446 -9.023 -1.848 1.00 0.00 H new ATOM 471 N VAL A 33 8.288 -7.027 0.056 1.00 0.00 N ATOM 472 CA VAL A 33 7.544 -6.349 1.105 1.00 0.00 C ATOM 473 C VAL A 33 6.061 -6.680 0.967 1.00 0.00 C ATOM 474 O VAL A 33 5.321 -6.661 1.938 1.00 0.00 O ATOM 475 CB VAL A 33 7.748 -4.818 1.075 1.00 0.00 C ATOM 476 CG1 VAL A 33 7.083 -4.160 2.266 1.00 0.00 C ATOM 477 CG2 VAL A 33 9.222 -4.475 1.054 1.00 0.00 C ATOM 0 H VAL A 33 8.559 -6.436 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 33 7.922 -6.704 2.064 1.00 0.00 H new ATOM 0 HB VAL A 33 7.285 -4.439 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.241 -3.082 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.014 -4.371 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.515 -4.552 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.343 -3.392 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.702 -4.877 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.684 -4.909 0.167 1.00 0.00 H new ATOM 487 N SER A 34 5.644 -6.995 -0.251 1.00 0.00 N ATOM 488 CA SER A 34 4.292 -7.477 -0.511 1.00 0.00 C ATOM 489 C SER A 34 4.122 -8.869 0.082 1.00 0.00 C ATOM 490 O SER A 34 3.067 -9.207 0.607 1.00 0.00 O ATOM 491 CB SER A 34 4.027 -7.484 -2.026 1.00 0.00 C ATOM 492 OG SER A 34 3.206 -8.573 -2.415 1.00 0.00 O ATOM 0 H SER A 34 6.229 -6.925 -1.084 1.00 0.00 H new ATOM 0 HA SER A 34 3.567 -6.813 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.549 -6.548 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.976 -7.536 -2.560 1.00 0.00 H new ATOM 0 HG SER A 34 2.269 -8.363 -2.219 1.00 0.00 H new ATOM 498 N ARG A 35 5.184 -9.662 0.000 1.00 0.00 N ATOM 499 CA ARG A 35 5.265 -10.949 0.642 1.00 0.00 C ATOM 500 C ARG A 35 4.956 -10.816 2.108 1.00 0.00 C ATOM 501 O ARG A 35 4.145 -11.535 2.683 1.00 0.00 O ATOM 502 CB ARG A 35 6.679 -11.411 0.485 1.00 0.00 C ATOM 503 CG ARG A 35 7.104 -11.476 -0.931 1.00 0.00 C ATOM 504 CD ARG A 35 6.176 -12.357 -1.718 1.00 0.00 C ATOM 505 NE ARG A 35 6.614 -12.555 -3.095 1.00 0.00 N ATOM 506 CZ ARG A 35 5.838 -12.347 -4.156 1.00 0.00 C ATOM 507 NH1 ARG A 35 4.602 -11.883 -4.008 1.00 0.00 N ATOM 508 NH2 ARG A 35 6.306 -12.595 -5.373 1.00 0.00 N ATOM 0 H ARG A 35 6.022 -9.415 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 35 4.555 -11.648 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.340 -10.736 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.788 -12.396 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.115 -10.474 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.122 -11.861 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.097 -13.326 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.179 -11.917 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 35 7.571 -12.871 -3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.241 -11.683 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.014 -11.727 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.257 -12.944 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.715 -12.437 -6.189 1.00 0.00 H new ATOM 522 N LYS A 36 5.686 -9.906 2.691 1.00 0.00 N ATOM 523 CA LYS A 36 5.435 -9.434 4.033 1.00 0.00 C ATOM 524 C LYS A 36 3.983 -8.988 4.203 1.00 0.00 C ATOM 525 O LYS A 36 3.171 -9.640 4.857 1.00 0.00 O ATOM 526 CB LYS A 36 6.346 -8.244 4.294 1.00 0.00 C ATOM 527 CG LYS A 36 7.788 -8.611 4.503 1.00 0.00 C ATOM 528 CD LYS A 36 8.608 -7.443 4.932 1.00 0.00 C ATOM 529 CE LYS A 36 10.067 -7.830 5.031 1.00 0.00 C ATOM 530 NZ LYS A 36 10.544 -8.586 3.844 1.00 0.00 N ATOM 0 H LYS A 36 6.487 -9.461 2.243 1.00 0.00 H new ATOM 0 HA LYS A 36 5.628 -10.246 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.276 -7.555 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.986 -7.711 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.856 -9.397 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.195 -9.019 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.489 -6.626 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.256 -7.078 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.670 -6.930 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.218 -8.434 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.583 -8.562 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.222 -9.573 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.161 -8.153 2.980 1.00 0.00 H new ATOM 544 N MET A 37 3.709 -7.858 3.589 1.00 0.00 N ATOM 545 CA MET A 37 2.420 -7.155 3.670 1.00 0.00 C ATOM 546 C MET A 37 1.181 -8.021 3.404 1.00 0.00 C ATOM 547 O MET A 37 0.130 -7.758 3.982 1.00 0.00 O ATOM 548 CB MET A 37 2.418 -5.959 2.711 1.00 0.00 C ATOM 549 CG MET A 37 3.007 -4.696 3.324 1.00 0.00 C ATOM 550 SD MET A 37 2.659 -3.209 2.356 1.00 0.00 S ATOM 551 CE MET A 37 3.514 -3.560 0.817 1.00 0.00 C ATOM 0 H MET A 37 4.388 -7.378 2.999 1.00 0.00 H new ATOM 0 HA MET A 37 2.337 -6.836 4.709 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.984 -6.218 1.816 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.395 -5.758 2.394 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.609 -4.568 4.331 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.086 -4.815 3.420 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.970 -2.646 0.438 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.289 -4.306 0.993 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.803 -3.942 0.084 1.00 0.00 H new ATOM 561 N GLN A 38 1.277 -9.032 2.543 1.00 0.00 N ATOM 562 CA GLN A 38 0.105 -9.838 2.183 1.00 0.00 C ATOM 563 C GLN A 38 -0.485 -10.553 3.392 1.00 0.00 C ATOM 564 O GLN A 38 -1.653 -10.951 3.390 1.00 0.00 O ATOM 565 CB GLN A 38 0.449 -10.850 1.094 1.00 0.00 C ATOM 566 CG GLN A 38 1.467 -11.896 1.499 1.00 0.00 C ATOM 567 CD GLN A 38 1.883 -12.783 0.343 1.00 0.00 C ATOM 568 OE1 GLN A 38 1.897 -12.359 -0.814 1.00 0.00 O ATOM 569 NE2 GLN A 38 2.220 -14.024 0.644 1.00 0.00 N ATOM 0 H GLN A 38 2.143 -9.313 2.084 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.647 -9.149 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.466 -11.355 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.827 -10.313 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.348 -11.401 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.051 -12.514 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.196 -14.338 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.505 -14.668 -0.094 1.00 0.00 H new ATOM 578 N ALA A 39 0.325 -10.707 4.420 1.00 0.00 N ATOM 579 CA ALA A 39 -0.130 -11.282 5.677 1.00 0.00 C ATOM 580 C ALA A 39 -1.113 -10.349 6.389 1.00 0.00 C ATOM 581 O ALA A 39 -1.763 -10.738 7.358 1.00 0.00 O ATOM 582 CB ALA A 39 1.057 -11.585 6.574 1.00 0.00 C ATOM 0 H ALA A 39 1.310 -10.441 4.412 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.653 -12.212 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.704 -12.015 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.718 -12.294 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.602 -10.664 6.780 1.00 0.00 H new ATOM 588 N SER A 40 -1.220 -9.119 5.898 1.00 0.00 N ATOM 589 CA SER A 40 -2.129 -8.143 6.456 1.00 0.00 C ATOM 590 C SER A 40 -3.346 -7.963 5.554 1.00 0.00 C ATOM 591 O SER A 40 -3.252 -7.858 4.325 1.00 0.00 O ATOM 592 CB SER A 40 -1.434 -6.796 6.655 1.00 0.00 C ATOM 593 OG SER A 40 -0.233 -6.938 7.402 1.00 0.00 O ATOM 0 H SER A 40 -0.678 -8.778 5.104 1.00 0.00 H new ATOM 0 HA SER A 40 -2.456 -8.514 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.210 -6.353 5.684 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.106 -6.111 7.171 1.00 0.00 H new ATOM 0 HG SER A 40 0.499 -6.485 6.934 1.00 0.00 H new ATOM 599 N PRO A 41 -4.503 -7.924 6.205 1.00 0.00 N ATOM 600 CA PRO A 41 -5.809 -7.811 5.562 1.00 0.00 C ATOM 601 C PRO A 41 -5.923 -6.592 4.697 1.00 0.00 C ATOM 602 O PRO A 41 -6.479 -6.641 3.607 1.00 0.00 O ATOM 603 CB PRO A 41 -6.796 -7.694 6.721 1.00 0.00 C ATOM 604 CG PRO A 41 -5.993 -7.541 7.958 1.00 0.00 C ATOM 605 CD PRO A 41 -4.600 -8.009 7.656 1.00 0.00 C ATOM 0 HA PRO A 41 -5.990 -8.664 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.456 -6.838 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.430 -8.579 6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.985 -6.501 8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.426 -8.125 8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.854 -7.381 8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.437 -9.028 8.007 1.00 0.00 H new ATOM 613 N GLU A 42 -5.390 -5.506 5.199 1.00 0.00 N ATOM 614 CA GLU A 42 -5.519 -4.231 4.533 1.00 0.00 C ATOM 615 C GLU A 42 -4.806 -4.230 3.183 1.00 0.00 C ATOM 616 O GLU A 42 -5.304 -3.662 2.204 1.00 0.00 O ATOM 617 CB GLU A 42 -5.018 -3.118 5.437 1.00 0.00 C ATOM 618 CG GLU A 42 -5.617 -3.155 6.837 1.00 0.00 C ATOM 619 CD GLU A 42 -7.131 -3.168 6.831 1.00 0.00 C ATOM 620 OE1 GLU A 42 -7.735 -2.131 6.514 1.00 0.00 O ATOM 621 OE2 GLU A 42 -7.726 -4.217 7.163 1.00 0.00 O ATOM 0 H GLU A 42 -4.860 -5.478 6.070 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.575 -4.053 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.933 -3.184 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.248 -2.157 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.253 -4.040 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.269 -2.288 7.399 1.00 0.00 H new ATOM 628 N TYR A 43 -3.656 -4.890 3.128 1.00 0.00 N ATOM 629 CA TYR A 43 -2.961 -5.083 1.868 1.00 0.00 C ATOM 630 C TYR A 43 -3.835 -5.898 0.917 1.00 0.00 C ATOM 631 O TYR A 43 -4.027 -5.516 -0.238 1.00 0.00 O ATOM 632 CB TYR A 43 -1.609 -5.770 2.101 1.00 0.00 C ATOM 633 CG TYR A 43 -0.993 -6.369 0.849 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.367 -7.634 0.408 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.056 -5.667 0.102 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.831 -8.181 -0.738 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.488 -6.211 -1.048 1.00 0.00 C ATOM 638 CZ TYR A 43 0.092 -7.466 -1.464 1.00 0.00 C ATOM 639 OH TYR A 43 0.621 -8.008 -2.614 1.00 0.00 O ATOM 0 H TYR A 43 -3.189 -5.298 3.938 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.767 -4.112 1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.913 -5.045 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.737 -6.558 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.092 -8.199 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.252 -4.683 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.134 -9.165 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.219 -5.656 -1.617 1.00 0.00 H new ATOM 0 HH TYR A 43 1.064 -7.305 -3.133 1.00 0.00 H new ATOM 649 N GLN A 44 -4.364 -7.016 1.420 1.00 0.00 N ATOM 650 CA GLN A 44 -5.260 -7.874 0.640 1.00 0.00 C ATOM 651 C GLN A 44 -6.396 -7.080 0.045 1.00 0.00 C ATOM 652 O GLN A 44 -6.518 -6.956 -1.169 1.00 0.00 O ATOM 653 CB GLN A 44 -5.879 -8.939 1.522 1.00 0.00 C ATOM 654 CG GLN A 44 -4.894 -9.919 2.089 1.00 0.00 C ATOM 655 CD GLN A 44 -4.397 -10.908 1.049 1.00 0.00 C ATOM 656 OE1 GLN A 44 -5.106 -11.240 0.099 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.177 -11.389 1.216 1.00 0.00 N ATOM 0 H GLN A 44 -4.187 -7.349 2.368 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.657 -8.322 -0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.405 -8.453 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.625 -9.484 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.045 -9.377 2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.359 -10.463 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.617 -11.092 2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.796 -12.057 0.546 1.00 0.00 H new ATOM 666 N ASP A 45 -7.234 -6.582 0.939 1.00 0.00 N ATOM 667 CA ASP A 45 -8.422 -5.808 0.585 1.00 0.00 C ATOM 668 C ASP A 45 -8.163 -4.782 -0.514 1.00 0.00 C ATOM 669 O ASP A 45 -8.970 -4.640 -1.436 1.00 0.00 O ATOM 670 CB ASP A 45 -8.993 -5.124 1.828 1.00 0.00 C ATOM 671 CG ASP A 45 -9.789 -6.080 2.695 1.00 0.00 C ATOM 672 OD1 ASP A 45 -10.796 -6.633 2.205 1.00 0.00 O ATOM 673 OD2 ASP A 45 -9.414 -6.289 3.870 1.00 0.00 O ATOM 0 H ASP A 45 -7.111 -6.703 1.944 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.150 -6.513 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.178 -4.699 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.632 -4.295 1.523 1.00 0.00 H new ATOM 678 N TYR A 46 -7.041 -4.083 -0.442 1.00 0.00 N ATOM 679 CA TYR A 46 -6.718 -3.092 -1.464 1.00 0.00 C ATOM 680 C TYR A 46 -6.367 -3.748 -2.787 1.00 0.00 C ATOM 681 O TYR A 46 -6.731 -3.243 -3.851 1.00 0.00 O ATOM 682 CB TYR A 46 -5.588 -2.163 -1.019 1.00 0.00 C ATOM 683 CG TYR A 46 -5.304 -1.082 -2.036 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.113 0.041 -2.116 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.253 -1.201 -2.937 1.00 0.00 C ATOM 686 CE1 TYR A 46 -5.884 1.020 -3.060 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.019 -0.228 -3.889 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.836 0.880 -3.946 1.00 0.00 C ATOM 689 OH TYR A 46 -4.611 1.853 -4.895 1.00 0.00 O ATOM 0 H TYR A 46 -6.347 -4.178 0.299 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.615 -2.489 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.852 -1.703 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.684 -2.748 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.937 0.151 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.609 -2.067 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.521 1.891 -3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.200 -0.335 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.835 1.605 -5.440 1.00 0.00 H new ATOM 699 N VAL A 47 -5.682 -4.870 -2.734 1.00 0.00 N ATOM 700 CA VAL A 47 -5.322 -5.572 -3.949 1.00 0.00 C ATOM 701 C VAL A 47 -6.539 -6.311 -4.511 1.00 0.00 C ATOM 702 O VAL A 47 -6.611 -6.629 -5.702 1.00 0.00 O ATOM 703 CB VAL A 47 -4.150 -6.553 -3.708 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.819 -7.355 -4.959 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.919 -5.805 -3.218 1.00 0.00 C ATOM 0 H VAL A 47 -5.365 -5.313 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.989 -4.835 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.466 -7.257 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.991 -8.032 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.692 -7.933 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.537 -6.675 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.105 -6.511 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.617 -5.071 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.151 -5.296 -2.283 1.00 0.00 H new ATOM 715 N TYR A 48 -7.500 -6.553 -3.639 1.00 0.00 N ATOM 716 CA TYR A 48 -8.748 -7.184 -3.991 1.00 0.00 C ATOM 717 C TYR A 48 -9.592 -6.236 -4.834 1.00 0.00 C ATOM 718 O TYR A 48 -10.078 -6.598 -5.905 1.00 0.00 O ATOM 719 CB TYR A 48 -9.447 -7.556 -2.688 1.00 0.00 C ATOM 720 CG TYR A 48 -10.931 -7.745 -2.786 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.481 -8.938 -3.212 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.776 -6.718 -2.423 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.853 -9.105 -3.274 1.00 0.00 C ATOM 724 CE2 TYR A 48 -13.149 -6.868 -2.484 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.683 -8.064 -2.909 1.00 0.00 C ATOM 726 OH TYR A 48 -15.048 -8.225 -2.965 1.00 0.00 O ATOM 0 H TYR A 48 -7.429 -6.311 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.587 -8.080 -4.590 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.005 -8.477 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.245 -6.778 -1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.832 -9.751 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.359 -5.781 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.272 -10.044 -3.606 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.798 -6.053 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.487 -7.399 -2.674 1.00 0.00 H new ATOM 736 N LEU A 49 -9.755 -5.020 -4.333 1.00 0.00 N ATOM 737 CA LEU A 49 -10.476 -3.970 -5.059 1.00 0.00 C ATOM 738 C LEU A 49 -9.709 -3.564 -6.306 1.00 0.00 C ATOM 739 O LEU A 49 -10.207 -3.659 -7.429 1.00 0.00 O ATOM 740 CB LEU A 49 -10.647 -2.727 -4.188 1.00 0.00 C ATOM 741 CG LEU A 49 -11.155 -2.976 -2.782 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.047 -1.707 -1.951 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.591 -3.478 -2.803 1.00 0.00 C ATOM 0 H LEU A 49 -9.398 -4.730 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.452 -4.373 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.686 -2.216 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.336 -2.047 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.535 -3.748 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.415 -1.900 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.005 -1.391 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.644 -0.919 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.932 -3.649 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.230 -2.734 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.642 -4.411 -3.364 1.00 0.00 H new ATOM 755 N GLU A 50 -8.495 -3.093 -6.076 1.00 0.00 N ATOM 756 CA GLU A 50 -7.650 -2.574 -7.146 1.00 0.00 C ATOM 757 C GLU A 50 -6.803 -3.663 -7.787 1.00 0.00 C ATOM 758 O GLU A 50 -7.238 -4.336 -8.720 1.00 0.00 O ATOM 759 CB GLU A 50 -6.752 -1.452 -6.620 1.00 0.00 C ATOM 760 CG GLU A 50 -7.478 -0.137 -6.428 1.00 0.00 C ATOM 761 CD GLU A 50 -7.682 0.602 -7.733 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.322 0.045 -8.651 1.00 0.00 O ATOM 763 OE2 GLU A 50 -7.187 1.741 -7.854 1.00 0.00 O ATOM 0 H GLU A 50 -8.067 -3.058 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.312 -2.177 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.318 -1.761 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.925 -1.303 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.446 -0.323 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.911 0.492 -5.742 1.00 0.00 H new ATOM 770 N GLY A 51 -5.594 -3.838 -7.280 1.00 0.00 N ATOM 771 CA GLY A 51 -4.686 -4.804 -7.858 1.00 0.00 C ATOM 772 C GLY A 51 -3.263 -4.598 -7.395 1.00 0.00 C ATOM 773 O GLY A 51 -2.915 -3.525 -6.898 1.00 0.00 O ATOM 0 H GLY A 51 -5.225 -3.328 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.011 -5.810 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.726 -4.733 -8.945 1.00 0.00 H new ATOM 777 N THR A 52 -2.443 -5.622 -7.575 1.00 0.00 N ATOM 778 CA THR A 52 -1.072 -5.629 -7.095 1.00 0.00 C ATOM 779 C THR A 52 -0.226 -4.523 -7.731 1.00 0.00 C ATOM 780 O THR A 52 0.632 -3.944 -7.077 1.00 0.00 O ATOM 781 CB THR A 52 -0.432 -6.991 -7.392 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.447 -8.003 -7.360 1.00 0.00 O ATOM 783 CG2 THR A 52 0.646 -7.316 -6.374 1.00 0.00 C ATOM 0 H THR A 52 -2.713 -6.477 -8.062 1.00 0.00 H new ATOM 0 HA THR A 52 -1.102 -5.445 -6.021 1.00 0.00 H new ATOM 0 HB THR A 52 0.030 -6.955 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.045 -8.876 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.085 -8.286 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.421 -6.550 -6.407 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.208 -7.345 -5.376 1.00 0.00 H new ATOM 791 N GLN A 53 -0.480 -4.225 -9.001 1.00 0.00 N ATOM 792 CA GLN A 53 0.307 -3.238 -9.722 1.00 0.00 C ATOM 793 C GLN A 53 0.040 -1.832 -9.207 1.00 0.00 C ATOM 794 O GLN A 53 0.954 -1.026 -9.072 1.00 0.00 O ATOM 795 CB GLN A 53 0.004 -3.325 -11.209 1.00 0.00 C ATOM 796 CG GLN A 53 0.266 -4.702 -11.770 1.00 0.00 C ATOM 797 CD GLN A 53 0.690 -4.681 -13.225 1.00 0.00 C ATOM 798 OE1 GLN A 53 0.273 -3.818 -13.998 1.00 0.00 O ATOM 799 NE2 GLN A 53 1.544 -5.617 -13.603 1.00 0.00 N ATOM 0 H GLN A 53 -1.225 -4.654 -9.550 1.00 0.00 H new ATOM 0 HA GLN A 53 1.362 -3.455 -9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.039 -3.058 -11.381 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.612 -2.596 -11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.043 -5.187 -11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.636 -5.306 -11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.866 -6.315 -12.932 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.881 -5.641 -14.565 1.00 0.00 H new ATOM 808 N LYS A 54 -1.217 -1.557 -8.911 1.00 0.00 N ATOM 809 CA LYS A 54 -1.616 -0.265 -8.352 1.00 0.00 C ATOM 810 C LYS A 54 -1.187 -0.142 -6.907 1.00 0.00 C ATOM 811 O LYS A 54 -0.911 0.946 -6.423 1.00 0.00 O ATOM 812 CB LYS A 54 -3.095 -0.087 -8.464 1.00 0.00 C ATOM 813 CG LYS A 54 -3.568 -0.105 -9.880 1.00 0.00 C ATOM 814 CD LYS A 54 -4.955 0.471 -9.978 1.00 0.00 C ATOM 815 CE LYS A 54 -5.754 -0.158 -11.107 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.177 0.272 -11.077 1.00 0.00 N ATOM 0 H LYS A 54 -1.988 -2.211 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.118 0.518 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.596 -0.879 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.380 0.858 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.884 0.469 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.564 -1.127 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.479 0.318 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.890 1.548 -10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.311 0.117 -12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.700 -1.244 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.692 -0.177 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.607 -0.012 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.229 1.306 -11.175 1.00 0.00 H new ATOM 830 N ALA A 55 -1.153 -1.268 -6.223 1.00 0.00 N ATOM 831 CA ALA A 55 -0.613 -1.330 -4.870 1.00 0.00 C ATOM 832 C ALA A 55 0.897 -1.141 -4.906 1.00 0.00 C ATOM 833 O ALA A 55 1.478 -0.541 -4.007 1.00 0.00 O ATOM 834 CB ALA A 55 -0.978 -2.657 -4.224 1.00 0.00 C ATOM 0 H ALA A 55 -1.494 -2.160 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.046 -0.528 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.570 -2.694 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.063 -2.755 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.563 -3.475 -4.813 1.00 0.00 H new ATOM 840 N LYS A 56 1.529 -1.642 -5.961 1.00 0.00 N ATOM 841 CA LYS A 56 2.936 -1.422 -6.176 1.00 0.00 C ATOM 842 C LYS A 56 3.163 0.048 -6.478 1.00 0.00 C ATOM 843 O LYS A 56 3.965 0.704 -5.832 1.00 0.00 O ATOM 844 CB LYS A 56 3.436 -2.301 -7.323 1.00 0.00 C ATOM 845 CG LYS A 56 4.822 -1.939 -7.777 1.00 0.00 C ATOM 846 CD LYS A 56 5.291 -2.840 -8.901 1.00 0.00 C ATOM 847 CE LYS A 56 6.759 -2.611 -9.219 1.00 0.00 C ATOM 848 NZ LYS A 56 7.191 -3.352 -10.431 1.00 0.00 N ATOM 0 H LYS A 56 1.077 -2.206 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 56 3.496 -1.692 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.424 -3.344 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.749 -2.215 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.837 -0.901 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.512 -2.014 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.136 -3.882 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.691 -2.655 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.936 -1.545 -9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.366 -2.922 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.199 -3.167 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.047 -4.371 -10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.630 -3.037 -11.248 1.00 0.00 H new ATOM 862 N LYS A 57 2.428 0.552 -7.459 1.00 0.00 N ATOM 863 CA LYS A 57 2.385 1.958 -7.773 1.00 0.00 C ATOM 864 C LYS A 57 2.130 2.802 -6.521 1.00 0.00 C ATOM 865 O LYS A 57 2.716 3.868 -6.353 1.00 0.00 O ATOM 866 CB LYS A 57 1.266 2.120 -8.790 1.00 0.00 C ATOM 867 CG LYS A 57 1.672 2.827 -10.045 1.00 0.00 C ATOM 868 CD LYS A 57 2.769 2.063 -10.709 1.00 0.00 C ATOM 869 CE LYS A 57 2.645 2.173 -12.204 1.00 0.00 C ATOM 870 NZ LYS A 57 3.532 1.222 -12.921 1.00 0.00 N ATOM 0 H LYS A 57 1.839 -0.020 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 57 3.338 2.305 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.882 1.134 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.446 2.669 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.819 2.918 -10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.006 3.839 -9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.737 2.448 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.727 1.016 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.611 1.989 -12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.885 3.191 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.408 1.338 -13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.522 1.413 -12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.287 0.248 -12.651 1.00 0.00 H new ATOM 884 N LEU A 58 1.266 2.301 -5.648 1.00 0.00 N ATOM 885 CA LEU A 58 0.961 2.953 -4.379 1.00 0.00 C ATOM 886 C LEU A 58 2.162 2.872 -3.433 1.00 0.00 C ATOM 887 O LEU A 58 2.510 3.849 -2.767 1.00 0.00 O ATOM 888 CB LEU A 58 -0.276 2.297 -3.756 1.00 0.00 C ATOM 889 CG LEU A 58 -0.850 2.974 -2.513 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.652 4.485 -2.557 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.328 2.660 -2.389 1.00 0.00 C ATOM 0 H LEU A 58 0.756 1.431 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 58 0.749 4.008 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.058 2.254 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.024 1.268 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.315 2.586 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.073 4.933 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.413 4.711 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.155 4.892 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.730 3.146 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.853 3.026 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.465 1.582 -2.306 1.00 0.00 H new ATOM 903 N PHE A 59 2.787 1.699 -3.375 1.00 0.00 N ATOM 904 CA PHE A 59 4.044 1.522 -2.652 1.00 0.00 C ATOM 905 C PHE A 59 5.049 2.570 -3.110 1.00 0.00 C ATOM 906 O PHE A 59 5.666 3.242 -2.291 1.00 0.00 O ATOM 907 CB PHE A 59 4.586 0.092 -2.860 1.00 0.00 C ATOM 908 CG PHE A 59 6.038 -0.106 -2.493 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.416 -0.225 -1.167 1.00 0.00 C ATOM 910 CD2 PHE A 59 7.026 -0.186 -3.475 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.740 -0.414 -0.821 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.350 -0.374 -3.129 1.00 0.00 C ATOM 913 CZ PHE A 59 8.708 -0.487 -1.802 1.00 0.00 C ATOM 0 H PHE A 59 2.441 0.851 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 59 3.871 1.656 -1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.982 -0.598 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.452 -0.181 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.666 -0.169 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.753 -0.100 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.018 -0.505 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.106 -0.433 -3.898 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.743 -0.632 -1.531 1.00 0.00 H new ATOM 923 N LEU A 60 5.164 2.723 -4.423 1.00 0.00 N ATOM 924 CA LEU A 60 6.022 3.736 -5.033 1.00 0.00 C ATOM 925 C LEU A 60 5.698 5.133 -4.511 1.00 0.00 C ATOM 926 O LEU A 60 6.586 5.875 -4.087 1.00 0.00 O ATOM 927 CB LEU A 60 5.846 3.716 -6.551 1.00 0.00 C ATOM 928 CG LEU A 60 6.752 2.786 -7.329 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.196 3.216 -7.195 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.606 1.343 -6.890 1.00 0.00 C ATOM 0 H LEU A 60 4.663 2.146 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 60 7.053 3.500 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.813 3.446 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.997 4.729 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 60 6.448 2.849 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.832 2.536 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.312 4.228 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.486 3.195 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.276 0.715 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.860 1.257 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.577 1.018 -7.043 1.00 0.00 H new ATOM 942 N GLN A 61 4.425 5.497 -4.575 1.00 0.00 N ATOM 943 CA GLN A 61 3.957 6.782 -4.053 1.00 0.00 C ATOM 944 C GLN A 61 4.372 6.980 -2.611 1.00 0.00 C ATOM 945 O GLN A 61 4.948 8.007 -2.258 1.00 0.00 O ATOM 946 CB GLN A 61 2.439 6.873 -4.144 1.00 0.00 C ATOM 947 CG GLN A 61 1.918 6.731 -5.542 1.00 0.00 C ATOM 948 CD GLN A 61 2.166 7.944 -6.395 1.00 0.00 C ATOM 949 OE1 GLN A 61 3.111 8.705 -6.176 1.00 0.00 O ATOM 950 NE2 GLN A 61 1.327 8.127 -7.389 1.00 0.00 N ATOM 0 H GLN A 61 3.691 4.920 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 61 4.414 7.562 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.998 6.097 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.115 7.831 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.385 5.865 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.847 6.534 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.558 7.473 -7.534 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.444 8.923 -8.015 1.00 0.00 H new ATOM 959 N HIS A 62 4.082 6.002 -1.772 1.00 0.00 N ATOM 960 CA HIS A 62 4.451 6.113 -0.368 1.00 0.00 C ATOM 961 C HIS A 62 5.953 6.172 -0.226 1.00 0.00 C ATOM 962 O HIS A 62 6.463 6.872 0.638 1.00 0.00 O ATOM 963 CB HIS A 62 3.928 4.965 0.479 1.00 0.00 C ATOM 964 CG HIS A 62 4.011 5.290 1.918 1.00 0.00 C ATOM 965 ND1 HIS A 62 3.331 6.209 2.640 1.00 0.00 N flip ATOM 966 CD2 HIS A 62 4.915 4.713 2.773 1.00 0.00 C flip ATOM 967 CE1 HIS A 62 3.839 6.183 3.902 1.00 0.00 C flip ATOM 968 NE2 HIS A 62 4.789 5.268 3.946 1.00 0.00 N flip ATOM 0 H HIS A 62 3.603 5.139 -2.028 1.00 0.00 H new ATOM 0 HA HIS A 62 3.991 7.032 -0.005 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.894 4.751 0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.504 4.063 0.272 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.579 6.809 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.614 3.930 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.520 6.804 4.726 1.00 0.00 H new ATOM 977 N ILE A 63 6.649 5.420 -1.060 1.00 0.00 N ATOM 978 CA ILE A 63 8.096 5.507 -1.125 1.00 0.00 C ATOM 979 C ILE A 63 8.516 6.955 -1.279 1.00 0.00 C ATOM 980 O ILE A 63 9.360 7.435 -0.538 1.00 0.00 O ATOM 981 CB ILE A 63 8.676 4.669 -2.275 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.561 3.192 -1.938 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.123 5.046 -2.568 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.089 2.832 -0.575 1.00 0.00 C ATOM 0 H ILE A 63 6.236 4.743 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 63 8.492 5.102 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 63 8.100 4.877 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.514 2.896 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.101 2.615 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.500 4.433 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.175 6.098 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.730 4.877 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.971 1.761 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.145 3.094 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.534 3.380 0.187 1.00 0.00 H new ATOM 996 N HIS A 64 7.865 7.655 -2.200 1.00 0.00 N ATOM 997 CA HIS A 64 8.119 9.063 -2.428 1.00 0.00 C ATOM 998 C HIS A 64 7.897 9.821 -1.140 1.00 0.00 C ATOM 999 O HIS A 64 8.754 10.577 -0.692 1.00 0.00 O ATOM 1000 CB HIS A 64 7.172 9.571 -3.527 1.00 0.00 C ATOM 1001 CG HIS A 64 7.156 11.037 -3.695 1.00 0.00 C ATOM 1002 ND1 HIS A 64 6.903 11.820 -2.643 1.00 0.00 N ATOM 1003 CD2 HIS A 64 7.367 11.852 -4.752 1.00 0.00 C ATOM 1004 CE1 HIS A 64 6.957 13.087 -3.000 1.00 0.00 C ATOM 1005 NE2 HIS A 64 7.237 13.140 -4.291 1.00 0.00 N ATOM 0 H HIS A 64 7.148 7.258 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 64 9.149 9.216 -2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.457 9.113 -4.474 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.161 9.233 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.594 11.550 -5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.800 13.935 -2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.339 13.989 -4.848 1.00 0.00 H new ATOM 1014 N ARG A 65 6.711 9.642 -0.597 1.00 0.00 N ATOM 1015 CA ARG A 65 6.301 10.270 0.636 1.00 0.00 C ATOM 1016 C ARG A 65 7.325 10.089 1.752 1.00 0.00 C ATOM 1017 O ARG A 65 7.660 11.019 2.479 1.00 0.00 O ATOM 1018 CB ARG A 65 5.003 9.680 1.002 1.00 0.00 C ATOM 1019 CG ARG A 65 4.005 9.920 -0.056 1.00 0.00 C ATOM 1020 CD ARG A 65 2.642 9.578 0.412 1.00 0.00 C ATOM 1021 NE ARG A 65 2.180 10.463 1.481 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.064 10.275 2.190 1.00 0.00 C ATOM 1023 NH1 ARG A 65 0.260 9.251 1.930 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.752 11.119 3.166 1.00 0.00 N ATOM 0 H ARG A 65 5.994 9.045 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 65 6.218 11.347 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.118 8.608 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.655 10.109 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.037 10.966 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.252 9.325 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.948 9.634 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.631 8.548 0.767 1.00 0.00 H new ATOM 0 HE ARG A 65 2.750 11.280 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.492 8.598 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.590 9.118 2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.364 11.908 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.100 10.978 3.709 1.00 0.00 H new ATOM 1038 N LEU A 66 7.797 8.864 1.859 1.00 0.00 N ATOM 1039 CA LEU A 66 8.855 8.480 2.789 1.00 0.00 C ATOM 1040 C LEU A 66 10.087 9.327 2.619 1.00 0.00 C ATOM 1041 O LEU A 66 10.627 9.881 3.578 1.00 0.00 O ATOM 1042 CB LEU A 66 9.196 7.020 2.525 1.00 0.00 C ATOM 1043 CG LEU A 66 8.099 6.084 2.923 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.409 4.674 2.488 1.00 0.00 C ATOM 1045 CD2 LEU A 66 7.894 6.152 4.413 1.00 0.00 C ATOM 0 H LEU A 66 7.453 8.088 1.294 1.00 0.00 H new ATOM 0 HA LEU A 66 8.503 8.627 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.412 6.889 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.104 6.760 3.070 1.00 0.00 H new ATOM 0 HG LEU A 66 7.179 6.387 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.596 4.013 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.519 4.643 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.337 4.345 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.095 5.470 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.816 5.867 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.623 7.169 4.697 1.00 0.00 H new ATOM 1057 N LYS A 67 10.527 9.391 1.386 1.00 0.00 N ATOM 1058 CA LYS A 67 11.711 10.172 1.025 1.00 0.00 C ATOM 1059 C LYS A 67 11.481 11.631 1.342 1.00 0.00 C ATOM 1060 O LYS A 67 12.298 12.277 1.990 1.00 0.00 O ATOM 1061 CB LYS A 67 12.026 10.042 -0.470 1.00 0.00 C ATOM 1062 CG LYS A 67 11.745 8.674 -0.982 1.00 0.00 C ATOM 1063 CD LYS A 67 12.229 8.425 -2.379 1.00 0.00 C ATOM 1064 CE LYS A 67 11.179 8.842 -3.400 1.00 0.00 C ATOM 1065 NZ LYS A 67 11.627 8.665 -4.806 1.00 0.00 N ATOM 0 H LYS A 67 10.086 8.911 0.601 1.00 0.00 H new ATOM 0 HA LYS A 67 12.551 9.786 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.435 10.767 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.075 10.285 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.208 7.947 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.670 8.499 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.151 8.979 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.464 7.368 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.272 8.259 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.919 9.888 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.870 8.966 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.476 9.242 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.850 7.663 -4.976 1.00 0.00 H new ATOM 1079 N HIS A 68 10.336 12.119 0.905 1.00 0.00 N ATOM 1080 CA HIS A 68 10.045 13.517 0.929 1.00 0.00 C ATOM 1081 C HIS A 68 8.575 13.765 0.656 1.00 0.00 C ATOM 1082 O HIS A 68 8.130 13.746 -0.487 1.00 0.00 O ATOM 1083 CB HIS A 68 10.924 14.275 -0.070 1.00 0.00 C ATOM 1084 CG HIS A 68 10.962 13.727 -1.459 1.00 0.00 C ATOM 1085 ND1 HIS A 68 10.300 12.586 -1.826 1.00 0.00 N ATOM 1086 CD2 HIS A 68 11.612 14.158 -2.566 1.00 0.00 C ATOM 1087 CE1 HIS A 68 10.541 12.328 -3.097 1.00 0.00 C ATOM 1088 NE2 HIS A 68 11.332 13.269 -3.570 1.00 0.00 N ATOM 0 H HIS A 68 9.585 11.543 0.524 1.00 0.00 H new ATOM 0 HA HIS A 68 10.271 13.893 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 68 10.577 15.307 -0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.942 14.298 0.318 1.00 0.00 H new ATOM 0 HD1 HIS A 68 9.712 12.023 -1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.234 15.037 -2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.155 11.488 -3.655 1.00 0.00 H new ATOM 1097 N GLU A 69 7.818 13.947 1.710 1.00 0.00 N ATOM 1098 CA GLU A 69 6.435 14.301 1.584 1.00 0.00 C ATOM 1099 C GLU A 69 6.311 15.808 1.432 1.00 0.00 C ATOM 1100 O GLU A 69 5.982 16.269 0.319 1.00 0.00 O ATOM 1101 CB GLU A 69 5.668 13.797 2.795 1.00 0.00 C ATOM 1102 CG GLU A 69 4.563 12.835 2.432 1.00 0.00 C ATOM 1103 CD GLU A 69 3.753 12.357 3.618 1.00 0.00 C ATOM 1104 OE1 GLU A 69 4.165 11.380 4.272 1.00 0.00 O ATOM 1105 OE2 GLU A 69 2.669 12.927 3.867 1.00 0.00 O ATOM 1106 OXT GLU A 69 6.603 16.534 2.407 1.00 0.00 O ATOM 0 H GLU A 69 8.145 13.853 2.672 1.00 0.00 H new ATOM 0 HA GLU A 69 6.007 13.834 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.360 13.306 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.242 14.647 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.895 13.317 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.997 11.971 1.929 1.00 0.00 H new TER 1113 GLU A 69