USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 923 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 13 HIS :FLIP+bothHN:sc= -1.93 X(o=-2.7,f=-2.4) USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= 0 F(o=-2.9,f=-2.4) USER MOD Set 1.3: A 117 GLN : amide:sc= -0.452 X(o=-2.4,f=-2.7) USER MOD Set 2.1: A 3 ASN : amide:sc= 0 K(o=-0.2,f=-1.8) USER MOD Set 2.2: A 109 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.47) USER MOD Set 3.1: A 25 TYR OH : rot 22:sc= 0.451 USER MOD Set 3.2: A 47 HIS : no HE2:sc= -2.45 K(o=-1.2,f=-6.6!) USER MOD Set 3.3: A 79 THR OG1 : rot 77:sc= 0.846 USER MOD Set 4.1: A 52 SER OG : rot -91:sc= 0.326 USER MOD Set 4.2: A 61 ASN : amide:sc= -0.217 K(o=0.11,f=-3.5!) USER MOD Set 4.3: A 74 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 44 THR OG1 : rot 156:sc= 1.12 USER MOD Set 5.2: A 80 THR OG1 : rot -67:sc= 0.0161 USER MOD Set 6.1: A 11 THR OG1 : rot -70:sc= 0.54 USER MOD Set 6.2: A 12 GLN :FLIP amide:sc= 0.208 F(o=0.028,f=0.75) USER MOD Set 7.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 54 LYS NZ :NH3+ -148:sc= 0.00247 (180deg=-0.165) USER MOD Set 8.1: A 4 SER OG : rot -39:sc= 0.209 USER MOD Set 8.2: A 7 THR OG1 : rot -49:sc= 0.139 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.244 F(o=-1,f=-0.24) USER MOD Single : A 14 TYR OH : rot -17:sc= 0.399 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.0029 (180deg=-0.0953) USER MOD Single : A 19 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.071) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 162:sc= -0.503 (180deg=-1.77) USER MOD Single : A 36 THR OG1 : rot 31:sc= 0.688 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0751) USER MOD Single : A 59 ASN : amide:sc=-0.00186 X(o=-0.0019,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.11) USER MOD Single : A 72 SER OG : rot 180:sc= 0.157 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 107:sc= 0.926 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.22) USER MOD Single : A 87 SER OG : rot -107:sc= 0.396 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 5:sc= 0.136 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.52 K(o=-0.52,f=-2.3!) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -1.23 F(o=-2.4!,f=-1.2) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 3.818 -5.206 1.956 1.00 0.00 N ATOM 33 CA ASN A 3 4.514 -5.484 3.193 1.00 0.00 C ATOM 34 C ASN A 3 5.145 -4.255 3.785 1.00 0.00 C ATOM 35 O ASN A 3 5.636 -4.310 4.911 1.00 0.00 O ATOM 36 CB ASN A 3 5.551 -6.632 3.182 1.00 0.00 C ATOM 37 CG ASN A 3 4.892 -7.916 2.675 1.00 0.00 C ATOM 38 OD1 ASN A 3 3.847 -8.347 3.177 1.00 0.00 O ATOM 39 ND2 ASN A 3 5.543 -8.537 1.645 1.00 0.00 N ATOM 0 HA ASN A 3 3.698 -5.843 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.394 -6.368 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.947 -6.787 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.169 -9.401 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.402 -8.136 1.269 1.00 0.00 H new ATOM 46 N SER A 4 5.120 -3.104 3.060 1.00 0.00 N ATOM 47 CA SER A 4 5.432 -1.828 3.638 1.00 0.00 C ATOM 48 C SER A 4 4.127 -1.229 4.074 1.00 0.00 C ATOM 49 O SER A 4 4.090 -0.218 4.768 1.00 0.00 O ATOM 50 CB SER A 4 6.176 -0.883 2.677 1.00 0.00 C ATOM 51 OG SER A 4 6.571 0.309 3.341 1.00 0.00 O ATOM 0 H SER A 4 4.881 -3.066 2.069 1.00 0.00 H new ATOM 0 HA SER A 4 6.117 -1.969 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.054 -1.387 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.533 -0.637 1.832 1.00 0.00 H new ATOM 0 HG SER A 4 5.861 0.593 3.954 1.00 0.00 H new ATOM 57 N ARG A 5 3.009 -1.880 3.675 1.00 0.00 N ATOM 58 CA ARG A 5 1.660 -1.488 3.972 1.00 0.00 C ATOM 59 C ARG A 5 1.337 -1.828 5.399 1.00 0.00 C ATOM 60 O ARG A 5 0.427 -1.255 5.994 1.00 0.00 O ATOM 61 CB ARG A 5 0.676 -2.235 3.048 1.00 0.00 C ATOM 62 CG ARG A 5 -0.486 -1.392 2.498 1.00 0.00 C ATOM 63 CD ARG A 5 -1.610 -1.108 3.499 1.00 0.00 C ATOM 64 NE ARG A 5 -2.704 -0.388 2.785 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.731 0.976 2.689 1.00 0.00 C ATOM 66 NH1 ARG A 5 -1.741 1.739 3.239 1.00 0.00 N ATOM 67 NH2 ARG A 5 -3.761 1.584 2.031 1.00 0.00 N ATOM 0 H ARG A 5 3.053 -2.730 3.112 1.00 0.00 H new ATOM 0 HA ARG A 5 1.565 -0.414 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.235 -2.644 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.261 -3.080 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.089 -0.442 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.910 -1.904 1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.983 -2.039 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.237 -0.506 4.328 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.454 -0.929 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.966 1.293 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.776 2.755 3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.503 1.021 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.788 2.601 1.955 1.00 0.00 H new ATOM 81 N TYR A 6 2.105 -2.771 5.984 1.00 0.00 N ATOM 82 CA TYR A 6 2.045 -3.139 7.343 1.00 0.00 C ATOM 83 C TYR A 6 2.669 -2.054 8.141 1.00 0.00 C ATOM 84 O TYR A 6 2.151 -1.734 9.201 1.00 0.00 O ATOM 85 CB TYR A 6 2.893 -4.389 7.443 1.00 0.00 C ATOM 86 CG TYR A 6 3.298 -4.671 8.825 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.444 -5.298 9.689 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.599 -4.445 9.194 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.890 -5.761 10.895 1.00 0.00 C ATOM 90 CE2 TYR A 6 5.067 -4.925 10.393 1.00 0.00 C ATOM 91 CZ TYR A 6 4.212 -5.592 11.253 1.00 0.00 C ATOM 92 OH TYR A 6 4.681 -6.077 12.488 1.00 0.00 O ATOM 0 H TYR A 6 2.805 -3.299 5.464 1.00 0.00 H new ATOM 0 HA TYR A 6 1.029 -3.304 7.701 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.335 -5.238 7.049 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.781 -4.275 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.407 -5.429 9.416 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.256 -3.889 8.542 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.208 -6.259 11.568 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.102 -4.782 10.665 1.00 0.00 H new ATOM 0 HH TYR A 6 5.635 -5.874 12.578 1.00 0.00 H new ATOM 102 N THR A 7 3.801 -1.476 7.673 1.00 0.00 N ATOM 103 CA THR A 7 4.439 -0.392 8.351 1.00 0.00 C ATOM 104 C THR A 7 3.788 0.938 8.109 1.00 0.00 C ATOM 105 O THR A 7 4.099 1.882 8.824 1.00 0.00 O ATOM 106 CB THR A 7 5.913 -0.241 8.085 1.00 0.00 C ATOM 107 OG1 THR A 7 6.149 0.655 7.009 1.00 0.00 O ATOM 108 CG2 THR A 7 6.585 -1.588 7.782 1.00 0.00 C ATOM 0 H THR A 7 4.272 -1.768 6.817 1.00 0.00 H new ATOM 0 HA THR A 7 4.312 -0.685 9.393 1.00 0.00 H new ATOM 0 HB THR A 7 6.352 0.165 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.577 0.414 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.648 -1.431 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.460 -2.257 8.634 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.125 -2.034 6.900 1.00 0.00 H new ATOM 116 N HIS A 8 2.875 1.064 7.119 1.00 0.00 N ATOM 117 CA HIS A 8 2.066 2.252 6.981 1.00 0.00 C ATOM 118 C HIS A 8 1.036 2.233 8.066 1.00 0.00 C ATOM 119 O HIS A 8 0.838 3.222 8.781 1.00 0.00 O ATOM 120 CB HIS A 8 1.319 2.342 5.639 1.00 0.00 C ATOM 121 CG HIS A 8 2.238 2.461 4.461 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.590 2.510 4.394 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 1.766 2.554 3.181 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 3.921 2.632 3.071 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 2.802 2.658 2.362 1.00 0.00 N flip ATOM 0 H HIS A 8 2.695 0.348 6.415 1.00 0.00 H new ATOM 0 HA HIS A 8 2.741 3.106 7.038 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.695 1.457 5.517 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.651 3.203 5.659 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.727 2.544 2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.923 2.696 2.673 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.747 2.744 1.347 1.00 0.00 H new ATOM 134 N PHE A 9 0.396 1.051 8.199 1.00 0.00 N ATOM 135 CA PHE A 9 -0.534 0.697 9.235 1.00 0.00 C ATOM 136 C PHE A 9 0.087 0.908 10.583 1.00 0.00 C ATOM 137 O PHE A 9 -0.548 1.479 11.458 1.00 0.00 O ATOM 138 CB PHE A 9 -1.013 -0.770 9.065 1.00 0.00 C ATOM 139 CG PHE A 9 -1.490 -1.433 10.320 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.552 -0.892 11.029 1.00 0.00 C ATOM 141 CD2 PHE A 9 -0.933 -2.636 10.751 1.00 0.00 C ATOM 142 CE1 PHE A 9 -2.979 -1.464 12.205 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.442 -3.256 11.871 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.430 -2.657 12.623 1.00 0.00 C ATOM 0 H PHE A 9 0.539 0.290 7.535 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.408 1.344 9.156 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.820 -0.789 8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.193 -1.358 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.050 -0.011 10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.109 -3.079 10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.741 -0.980 12.798 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.062 -4.224 12.164 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.772 -3.121 13.536 1.00 0.00 H new ATOM 154 N LEU A 10 1.332 0.450 10.784 1.00 0.00 N ATOM 155 CA LEU A 10 1.947 0.445 12.071 1.00 0.00 C ATOM 156 C LEU A 10 2.771 1.688 12.326 1.00 0.00 C ATOM 157 O LEU A 10 3.242 1.871 13.440 1.00 0.00 O ATOM 158 CB LEU A 10 2.476 -0.961 12.422 1.00 0.00 C ATOM 159 CG LEU A 10 3.853 -1.498 12.024 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.059 -0.632 12.366 1.00 0.00 C ATOM 161 CD2 LEU A 10 4.028 -2.786 12.822 1.00 0.00 C ATOM 0 H LEU A 10 1.922 0.077 10.040 1.00 0.00 H new ATOM 0 HA LEU A 10 1.223 0.582 12.874 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.425 -1.039 13.508 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.750 -1.666 12.017 1.00 0.00 H new ATOM 0 HG LEU A 10 3.846 -1.579 10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.970 -1.128 12.030 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.967 0.333 11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.105 -0.481 13.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.996 -3.230 12.589 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.979 -2.563 13.888 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.235 -3.487 12.561 1.00 0.00 H new ATOM 173 N THR A 11 2.942 2.615 11.353 1.00 0.00 N ATOM 174 CA THR A 11 3.473 3.909 11.717 1.00 0.00 C ATOM 175 C THR A 11 2.369 4.700 12.315 1.00 0.00 C ATOM 176 O THR A 11 2.565 5.348 13.341 1.00 0.00 O ATOM 177 CB THR A 11 4.130 4.745 10.645 1.00 0.00 C ATOM 178 OG1 THR A 11 3.417 4.678 9.422 1.00 0.00 O ATOM 179 CG2 THR A 11 5.582 4.272 10.454 1.00 0.00 C ATOM 0 H THR A 11 2.727 2.484 10.365 1.00 0.00 H new ATOM 0 HA THR A 11 4.294 3.677 12.395 1.00 0.00 H new ATOM 0 HB THR A 11 4.124 5.788 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.518 3.784 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.061 4.872 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.127 4.384 11.391 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.587 3.224 10.155 1.00 0.00 H new ATOM 187 N GLN A 12 1.182 4.643 11.682 1.00 0.00 N ATOM 188 CA GLN A 12 0.007 5.319 12.154 1.00 0.00 C ATOM 189 C GLN A 12 -0.484 4.784 13.452 1.00 0.00 C ATOM 190 O GLN A 12 -0.827 5.558 14.341 1.00 0.00 O ATOM 191 CB GLN A 12 -1.139 5.128 11.159 1.00 0.00 C ATOM 192 CG GLN A 12 -1.200 6.150 10.012 1.00 0.00 C ATOM 193 CD GLN A 12 0.160 6.677 9.531 1.00 0.00 C ATOM 194 OE1 GLN A 12 0.583 7.847 10.098 1.00 0.00 O flip ATOM 195 NE2 GLN A 12 0.795 6.083 8.652 1.00 0.00 N flip ATOM 0 H GLN A 12 1.033 4.115 10.822 1.00 0.00 H new ATOM 0 HA GLN A 12 0.292 6.365 12.271 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.060 4.130 10.728 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.081 5.166 11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.714 5.693 9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.806 6.997 10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.434 5.212 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.680 6.464 8.317 1.00 0.00 H new ATOM 204 N HIS A 13 -0.561 3.454 13.568 1.00 0.00 N ATOM 205 CA HIS A 13 -1.157 2.839 14.712 1.00 0.00 C ATOM 206 C HIS A 13 -0.135 2.428 15.718 1.00 0.00 C ATOM 207 O HIS A 13 -0.323 2.717 16.891 1.00 0.00 O ATOM 208 CB HIS A 13 -2.045 1.645 14.346 1.00 0.00 C ATOM 209 CG HIS A 13 -3.206 2.128 13.530 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.312 2.417 12.212 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.352 2.564 14.129 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.531 3.012 12.027 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.137 3.091 13.203 1.00 0.00 N flip ATOM 0 H HIS A 13 -0.211 2.798 12.870 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.795 3.602 15.158 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.471 0.908 13.784 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.401 1.150 15.250 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.615 2.227 11.492 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.580 2.491 15.182 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.930 3.358 11.085 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.060 3.493 13.368 1.00 0.00 H new ATOM 222 N TYR A 14 0.952 1.733 15.328 1.00 0.00 N ATOM 223 CA TYR A 14 1.801 1.135 16.322 1.00 0.00 C ATOM 224 C TYR A 14 2.700 2.168 16.931 1.00 0.00 C ATOM 225 O TYR A 14 3.533 2.769 16.256 1.00 0.00 O ATOM 226 CB TYR A 14 2.628 -0.025 15.776 1.00 0.00 C ATOM 227 CG TYR A 14 3.359 -0.743 16.813 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.706 -1.399 17.827 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.719 -0.832 16.672 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.440 -2.073 18.780 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.462 -1.484 17.627 1.00 0.00 C ATOM 232 CZ TYR A 14 4.823 -2.088 18.688 1.00 0.00 C ATOM 233 OH TYR A 14 5.610 -2.738 19.655 1.00 0.00 O ATOM 0 H TYR A 14 1.239 1.586 14.360 1.00 0.00 H new ATOM 0 HA TYR A 14 1.144 0.724 17.088 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.969 -0.721 15.256 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.335 0.356 15.039 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.627 -1.387 17.878 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.205 -0.392 15.814 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.942 -2.584 19.590 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.538 -1.523 17.546 1.00 0.00 H new ATOM 0 HH TYR A 14 5.074 -2.896 20.460 1.00 0.00 H new ATOM 243 N ASP A 15 2.525 2.378 18.251 1.00 0.00 N ATOM 244 CA ASP A 15 3.375 3.235 19.011 1.00 0.00 C ATOM 245 C ASP A 15 3.614 2.391 20.211 1.00 0.00 C ATOM 246 O ASP A 15 2.778 2.352 21.107 1.00 0.00 O ATOM 247 CB ASP A 15 2.754 4.586 19.423 1.00 0.00 C ATOM 248 CG ASP A 15 3.812 5.315 20.244 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.885 5.642 19.667 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.567 5.559 21.455 1.00 0.00 O ATOM 0 H ASP A 15 1.780 1.944 18.796 1.00 0.00 H new ATOM 0 HA ASP A 15 4.253 3.542 18.443 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.474 5.169 18.545 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.846 4.434 20.007 1.00 0.00 H new ATOM 255 N ALA A 16 4.761 1.673 20.189 1.00 0.00 N ATOM 256 CA ALA A 16 5.154 0.583 21.058 1.00 0.00 C ATOM 257 C ALA A 16 4.873 0.722 22.515 1.00 0.00 C ATOM 258 O ALA A 16 4.408 -0.226 23.145 1.00 0.00 O ATOM 259 CB ALA A 16 6.639 0.225 20.939 1.00 0.00 C ATOM 0 H ALA A 16 5.484 1.873 19.498 1.00 0.00 H new ATOM 0 HA ALA A 16 4.502 -0.201 20.674 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.870 -0.598 21.615 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.860 -0.074 19.914 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.245 1.092 21.203 1.00 0.00 H new ATOM 265 N LYS A 17 5.143 1.905 23.082 1.00 0.00 N ATOM 266 CA LYS A 17 4.631 2.214 24.381 1.00 0.00 C ATOM 267 C LYS A 17 4.568 3.721 24.445 1.00 0.00 C ATOM 268 O LYS A 17 5.449 4.378 23.891 1.00 0.00 O ATOM 269 CB LYS A 17 5.488 1.690 25.560 1.00 0.00 C ATOM 270 CG LYS A 17 6.977 2.074 25.523 1.00 0.00 C ATOM 271 CD LYS A 17 7.771 1.433 26.669 1.00 0.00 C ATOM 272 CE LYS A 17 9.243 1.857 26.694 1.00 0.00 C ATOM 273 NZ LYS A 17 9.930 1.436 25.453 1.00 0.00 N ATOM 0 H LYS A 17 5.706 2.639 22.653 1.00 0.00 H new ATOM 0 HA LYS A 17 3.666 1.721 24.497 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.059 2.061 26.491 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.412 0.603 25.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.406 1.766 24.570 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.072 3.158 25.580 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.306 1.700 27.618 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.713 0.348 26.580 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.313 2.939 26.805 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.739 1.415 27.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.953 1.594 25.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.751 0.426 25.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.570 1.991 24.651 1.00 0.00 H new ATOM 287 N PRO A 18 3.572 4.294 25.103 1.00 0.00 N ATOM 288 CA PRO A 18 3.417 5.719 25.151 1.00 0.00 C ATOM 289 C PRO A 18 4.393 6.401 26.058 1.00 0.00 C ATOM 290 O PRO A 18 5.136 5.753 26.795 1.00 0.00 O ATOM 291 CB PRO A 18 2.044 5.911 25.780 1.00 0.00 C ATOM 292 CG PRO A 18 1.227 4.722 25.313 1.00 0.00 C ATOM 293 CD PRO A 18 2.277 3.652 25.048 1.00 0.00 C ATOM 0 HA PRO A 18 3.560 6.136 24.154 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.109 5.942 26.868 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.592 6.850 25.461 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.512 4.404 26.071 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.656 4.955 24.414 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.211 2.857 25.791 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.118 3.191 24.073 1.00 0.00 H new ATOM 301 N GLN A 19 4.320 7.748 26.018 1.00 0.00 N ATOM 302 CA GLN A 19 4.962 8.644 26.933 1.00 0.00 C ATOM 303 C GLN A 19 4.237 8.498 28.235 1.00 0.00 C ATOM 304 O GLN A 19 4.770 7.970 29.209 1.00 0.00 O ATOM 305 CB GLN A 19 4.873 10.089 26.390 1.00 0.00 C ATOM 306 CG GLN A 19 5.446 11.200 27.280 1.00 0.00 C ATOM 307 CD GLN A 19 6.928 10.944 27.549 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.326 10.635 28.678 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.757 11.090 26.471 1.00 0.00 N ATOM 0 H GLN A 19 3.781 8.238 25.304 1.00 0.00 H new ATOM 0 HA GLN A 19 6.020 8.418 27.062 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.388 10.123 25.430 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.824 10.315 26.197 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.318 12.168 26.795 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.899 11.241 28.222 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.371 11.347 25.562 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.761 10.942 26.576 1.00 0.00 H new ATOM 318 N GLY A 20 2.974 8.949 28.239 1.00 0.00 N ATOM 319 CA GLY A 20 2.024 8.603 29.254 1.00 0.00 C ATOM 320 C GLY A 20 0.811 8.354 28.453 1.00 0.00 C ATOM 321 O GLY A 20 0.870 8.398 27.230 1.00 0.00 O ATOM 0 H GLY A 20 2.600 9.570 27.521 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.330 7.722 29.818 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.881 9.409 29.974 1.00 0.00 H new ATOM 325 N ARG A 21 -0.321 8.096 29.121 1.00 0.00 N ATOM 326 CA ARG A 21 -1.562 7.889 28.424 1.00 0.00 C ATOM 327 C ARG A 21 -2.461 9.001 28.832 1.00 0.00 C ATOM 328 O ARG A 21 -3.393 8.826 29.616 1.00 0.00 O ATOM 329 CB ARG A 21 -2.199 6.504 28.652 1.00 0.00 C ATOM 330 CG ARG A 21 -1.384 5.408 27.944 1.00 0.00 C ATOM 331 CD ARG A 21 -2.080 4.048 27.834 1.00 0.00 C ATOM 332 NE ARG A 21 -1.904 3.324 29.122 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.771 2.349 29.523 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.851 2.022 28.759 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.549 1.690 30.699 1.00 0.00 N ATOM 0 H ARG A 21 -0.386 8.029 30.137 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.378 7.897 27.350 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.251 6.293 29.720 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.223 6.503 28.277 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.135 5.753 26.941 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.443 5.275 28.478 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.140 4.181 27.616 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.655 3.470 27.013 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.114 3.563 29.721 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.018 2.507 27.878 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.492 1.292 29.068 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.739 1.928 31.272 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.193 0.960 31.004 1.00 0.00 H new ATOM 349 N ASP A 22 -2.153 10.197 28.289 1.00 0.00 N ATOM 350 CA ASP A 22 -2.811 11.415 28.647 1.00 0.00 C ATOM 351 C ASP A 22 -2.909 12.246 27.406 1.00 0.00 C ATOM 352 O ASP A 22 -2.418 11.858 26.345 1.00 0.00 O ATOM 353 CB ASP A 22 -2.096 12.166 29.789 1.00 0.00 C ATOM 354 CG ASP A 22 -0.581 12.177 29.599 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.078 12.857 28.669 1.00 0.00 O ATOM 356 OD2 ASP A 22 0.102 11.500 30.415 1.00 0.00 O ATOM 0 H ASP A 22 -1.427 10.317 27.583 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.804 11.195 29.039 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.464 13.191 29.836 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.339 11.696 30.742 1.00 0.00 H new ATOM 361 N ASP A 23 -3.569 13.420 27.526 1.00 0.00 N ATOM 362 CA ASP A 23 -3.915 14.278 26.421 1.00 0.00 C ATOM 363 C ASP A 23 -2.724 14.970 25.824 1.00 0.00 C ATOM 364 O ASP A 23 -2.773 15.388 24.670 1.00 0.00 O ATOM 365 CB ASP A 23 -4.964 15.352 26.787 1.00 0.00 C ATOM 366 CG ASP A 23 -4.429 16.336 27.828 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.206 15.922 28.996 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.257 17.530 27.464 1.00 0.00 O ATOM 0 H ASP A 23 -3.874 13.787 28.427 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.345 13.598 25.686 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.256 15.896 25.889 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.861 14.868 27.172 1.00 0.00 H new ATOM 373 N ARG A 24 -1.622 15.089 26.600 1.00 0.00 N ATOM 374 CA ARG A 24 -0.391 15.672 26.149 1.00 0.00 C ATOM 375 C ARG A 24 0.321 14.697 25.261 1.00 0.00 C ATOM 376 O ARG A 24 1.040 15.105 24.349 1.00 0.00 O ATOM 377 CB ARG A 24 0.530 16.032 27.335 1.00 0.00 C ATOM 378 CG ARG A 24 1.809 16.804 26.966 1.00 0.00 C ATOM 379 CD ARG A 24 2.663 17.171 28.188 1.00 0.00 C ATOM 380 NE ARG A 24 3.027 15.923 28.931 1.00 0.00 N ATOM 381 CZ ARG A 24 4.107 15.154 28.596 1.00 0.00 C ATOM 382 NH1 ARG A 24 4.922 15.498 27.558 1.00 0.00 N ATOM 383 NH2 ARG A 24 4.370 14.020 29.312 1.00 0.00 N ATOM 0 H ARG A 24 -1.589 14.770 27.568 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.628 16.586 25.605 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.040 16.627 28.048 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.816 15.111 27.844 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.405 16.201 26.281 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.536 17.715 26.434 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.565 17.695 27.872 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.112 17.849 28.840 1.00 0.00 H new ATOM 0 HE ARG A 24 2.446 15.635 29.718 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.730 16.341 27.017 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.723 14.912 27.323 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.763 13.754 30.088 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.173 13.439 29.071 1.00 0.00 H new ATOM 397 N TYR A 25 0.125 13.383 25.513 1.00 0.00 N ATOM 398 CA TYR A 25 0.749 12.342 24.748 1.00 0.00 C ATOM 399 C TYR A 25 0.040 12.233 23.441 1.00 0.00 C ATOM 400 O TYR A 25 0.700 12.043 22.424 1.00 0.00 O ATOM 401 CB TYR A 25 0.741 10.973 25.463 1.00 0.00 C ATOM 402 CG TYR A 25 0.788 9.815 24.506 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.946 9.463 23.827 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.353 9.050 24.327 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.939 8.400 22.944 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.359 7.989 23.447 1.00 0.00 C ATOM 407 CZ TYR A 25 0.784 7.666 22.752 1.00 0.00 C ATOM 408 OH TYR A 25 0.762 6.577 21.859 1.00 0.00 O ATOM 0 H TYR A 25 -0.477 13.040 26.261 1.00 0.00 H new ATOM 0 HA TYR A 25 1.797 12.610 24.611 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.595 10.916 26.138 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.156 10.894 26.077 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.856 10.022 23.989 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.248 9.288 24.883 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.838 8.142 22.403 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.260 7.412 23.303 1.00 0.00 H new ATOM 0 HH TYR A 25 1.674 6.245 21.725 1.00 0.00 H new ATOM 418 N CYS A 26 -1.309 12.338 23.442 1.00 0.00 N ATOM 419 CA CYS A 26 -2.089 12.199 22.241 1.00 0.00 C ATOM 420 C CYS A 26 -1.906 13.336 21.295 1.00 0.00 C ATOM 421 O CYS A 26 -1.932 13.133 20.083 1.00 0.00 O ATOM 422 CB CYS A 26 -3.593 12.131 22.479 1.00 0.00 C ATOM 423 SG CYS A 26 -4.160 10.470 22.887 1.00 0.00 S ATOM 0 H CYS A 26 -1.861 12.520 24.280 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.718 11.260 21.831 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.859 12.810 23.289 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.114 12.479 21.587 1.00 0.00 H new ATOM 428 N GLU A 27 -1.730 14.555 21.838 1.00 0.00 N ATOM 429 CA GLU A 27 -1.492 15.720 21.034 1.00 0.00 C ATOM 430 C GLU A 27 -0.116 15.680 20.459 1.00 0.00 C ATOM 431 O GLU A 27 0.071 16.092 19.316 1.00 0.00 O ATOM 432 CB GLU A 27 -1.662 17.050 21.786 1.00 0.00 C ATOM 433 CG GLU A 27 -3.135 17.381 22.040 1.00 0.00 C ATOM 434 CD GLU A 27 -3.226 18.649 22.875 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.771 19.717 22.386 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.759 18.564 24.014 1.00 0.00 O ATOM 0 H GLU A 27 -1.752 14.737 22.841 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.252 15.689 20.253 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.133 16.999 22.737 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.204 17.854 21.209 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.658 17.516 21.093 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.622 16.555 22.558 1.00 0.00 H new ATOM 443 N SER A 28 0.866 15.168 21.237 1.00 0.00 N ATOM 444 CA SER A 28 2.232 15.069 20.805 1.00 0.00 C ATOM 445 C SER A 28 2.412 14.046 19.729 1.00 0.00 C ATOM 446 O SER A 28 3.231 14.245 18.835 1.00 0.00 O ATOM 447 CB SER A 28 3.201 14.713 21.948 1.00 0.00 C ATOM 448 OG SER A 28 4.541 14.680 21.479 1.00 0.00 O ATOM 0 H SER A 28 0.707 14.817 22.182 1.00 0.00 H new ATOM 0 HA SER A 28 2.469 16.063 20.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.109 15.445 22.750 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.934 13.744 22.369 1.00 0.00 H new ATOM 0 HG SER A 28 5.141 14.454 22.220 1.00 0.00 H new ATOM 454 N ILE A 29 1.655 12.930 19.791 1.00 0.00 N ATOM 455 CA ILE A 29 1.841 11.852 18.860 1.00 0.00 C ATOM 456 C ILE A 29 1.091 12.098 17.590 1.00 0.00 C ATOM 457 O ILE A 29 1.515 11.644 16.532 1.00 0.00 O ATOM 458 CB ILE A 29 1.629 10.447 19.407 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.187 9.425 18.400 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.161 10.143 19.768 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.536 8.087 19.023 1.00 0.00 C ATOM 0 H ILE A 29 0.919 12.774 20.480 1.00 0.00 H new ATOM 0 HA ILE A 29 2.909 11.863 18.641 1.00 0.00 H new ATOM 0 HB ILE A 29 2.173 10.372 20.349 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.453 9.268 17.610 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.078 9.841 17.929 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.084 9.125 20.151 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.179 10.844 20.530 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.461 10.244 18.878 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.923 7.418 18.255 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.293 8.231 19.794 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.643 7.649 19.469 1.00 0.00 H new ATOM 473 N MET A 30 -0.023 12.854 17.641 1.00 0.00 N ATOM 474 CA MET A 30 -0.719 13.182 16.429 1.00 0.00 C ATOM 475 C MET A 30 0.007 14.291 15.718 1.00 0.00 C ATOM 476 O MET A 30 -0.101 14.398 14.500 1.00 0.00 O ATOM 477 CB MET A 30 -2.176 13.598 16.654 1.00 0.00 C ATOM 478 CG MET A 30 -3.093 12.435 17.077 1.00 0.00 C ATOM 479 SD MET A 30 -4.136 11.841 15.712 1.00 0.00 S ATOM 480 CE MET A 30 -5.352 10.908 16.675 1.00 0.00 C ATOM 0 H MET A 30 -0.434 13.230 18.495 1.00 0.00 H new ATOM 0 HA MET A 30 -0.738 12.274 15.826 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.209 14.373 17.420 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.564 14.040 15.737 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.483 11.612 17.449 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.728 12.759 17.902 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.242 10.736 16.069 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.924 9.950 16.971 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.623 11.475 17.565 1.00 0.00 H new ATOM 490 N ARG A 31 0.777 15.121 16.464 1.00 0.00 N ATOM 491 CA ARG A 31 1.633 16.129 15.893 1.00 0.00 C ATOM 492 C ARG A 31 2.789 15.502 15.157 1.00 0.00 C ATOM 493 O ARG A 31 3.140 15.952 14.066 1.00 0.00 O ATOM 494 CB ARG A 31 2.229 17.065 16.968 1.00 0.00 C ATOM 495 CG ARG A 31 2.725 18.436 16.473 1.00 0.00 C ATOM 496 CD ARG A 31 1.618 19.387 15.996 1.00 0.00 C ATOM 497 NE ARG A 31 0.604 19.538 17.080 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.485 20.342 16.908 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.614 21.086 15.771 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.449 20.400 17.873 1.00 0.00 N ATOM 0 H ARG A 31 0.804 15.090 17.483 1.00 0.00 H new ATOM 0 HA ARG A 31 1.004 16.703 15.213 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.473 17.230 17.736 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.063 16.551 17.447 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.278 18.919 17.279 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.427 18.279 15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.041 20.358 15.739 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.148 18.995 15.094 1.00 0.00 H new ATOM 0 HE ARG A 31 0.726 19.035 17.959 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.104 21.042 15.048 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.429 21.686 15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.355 19.843 18.722 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.263 21.001 17.745 1.00 0.00 H new ATOM 514 N ARG A 32 3.414 14.463 15.763 1.00 0.00 N ATOM 515 CA ARG A 32 4.618 13.855 15.262 1.00 0.00 C ATOM 516 C ARG A 32 4.361 12.971 14.086 1.00 0.00 C ATOM 517 O ARG A 32 5.114 13.018 13.114 1.00 0.00 O ATOM 518 CB ARG A 32 5.323 12.958 16.299 1.00 0.00 C ATOM 519 CG ARG A 32 6.162 13.723 17.336 1.00 0.00 C ATOM 520 CD ARG A 32 7.395 14.431 16.759 1.00 0.00 C ATOM 521 NE ARG A 32 8.260 13.405 16.108 1.00 0.00 N ATOM 522 CZ ARG A 32 9.316 13.771 15.323 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.622 15.089 15.146 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.069 12.810 14.710 1.00 0.00 N ATOM 0 H ARG A 32 3.072 14.036 16.624 1.00 0.00 H new ATOM 0 HA ARG A 32 5.244 14.707 14.997 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.570 12.368 16.822 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.970 12.255 15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.528 14.464 17.823 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.487 13.025 18.108 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.094 15.189 16.036 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.943 14.944 17.549 1.00 0.00 H new ATOM 0 HE ARG A 32 8.060 12.415 16.251 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.061 15.809 15.601 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.412 15.355 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.842 11.824 14.840 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.859 13.078 14.123 1.00 0.00 H new ATOM 538 N ARG A 33 3.307 12.127 14.159 1.00 0.00 N ATOM 539 CA ARG A 33 3.024 11.156 13.136 1.00 0.00 C ATOM 540 C ARG A 33 2.388 11.771 11.921 1.00 0.00 C ATOM 541 O ARG A 33 2.413 11.168 10.848 1.00 0.00 O ATOM 542 CB ARG A 33 2.118 10.023 13.655 1.00 0.00 C ATOM 543 CG ARG A 33 2.638 8.596 13.417 1.00 0.00 C ATOM 544 CD ARG A 33 4.063 8.313 13.928 1.00 0.00 C ATOM 545 NE ARG A 33 4.210 8.787 15.336 1.00 0.00 N ATOM 546 CZ ARG A 33 5.447 8.836 15.914 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.545 8.405 15.227 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.593 9.319 17.182 1.00 0.00 N ATOM 0 H ARG A 33 2.645 12.118 14.935 1.00 0.00 H new ATOM 0 HA ARG A 33 3.991 10.742 12.851 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.969 10.163 14.726 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.140 10.118 13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.954 7.895 13.895 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.608 8.391 12.347 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.271 7.245 13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.792 8.813 13.290 1.00 0.00 H new ATOM 0 HE ARG A 33 3.387 9.074 15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.444 8.045 14.278 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.467 8.443 15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.777 9.645 17.701 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.518 9.354 17.611 1.00 0.00 H new ATOM 562 N GLY A 34 1.830 12.994 12.060 1.00 0.00 N ATOM 563 CA GLY A 34 1.409 13.771 10.928 1.00 0.00 C ATOM 564 C GLY A 34 -0.007 13.441 10.619 1.00 0.00 C ATOM 565 O GLY A 34 -0.375 13.259 9.459 1.00 0.00 O ATOM 0 H GLY A 34 1.670 13.445 12.961 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.510 14.835 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.043 13.557 10.067 1.00 0.00 H new ATOM 569 N LEU A 35 -0.834 13.377 11.681 1.00 0.00 N ATOM 570 CA LEU A 35 -2.242 13.137 11.569 1.00 0.00 C ATOM 571 C LEU A 35 -2.917 14.351 12.112 1.00 0.00 C ATOM 572 O LEU A 35 -4.106 14.334 12.425 1.00 0.00 O ATOM 573 CB LEU A 35 -2.733 11.994 12.463 1.00 0.00 C ATOM 574 CG LEU A 35 -2.098 10.601 12.243 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.764 9.541 13.140 1.00 0.00 C ATOM 576 CD2 LEU A 35 -2.166 10.165 10.770 1.00 0.00 C ATOM 0 H LEU A 35 -0.515 13.495 12.643 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.455 12.898 10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.565 12.281 13.501 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.810 11.899 12.328 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.047 10.685 12.519 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.298 8.571 12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.639 9.820 14.186 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.827 9.481 12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.709 9.182 10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.208 10.119 10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.630 10.885 10.152 1.00 0.00 H new ATOM 588 N THR A 36 -2.140 15.442 12.242 1.00 0.00 N ATOM 589 CA THR A 36 -2.589 16.698 12.766 1.00 0.00 C ATOM 590 C THR A 36 -3.001 17.542 11.604 1.00 0.00 C ATOM 591 O THR A 36 -3.627 18.588 11.762 1.00 0.00 O ATOM 592 CB THR A 36 -1.505 17.387 13.572 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.940 18.647 14.058 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.206 17.556 12.754 1.00 0.00 C ATOM 0 H THR A 36 -1.157 15.450 11.971 1.00 0.00 H new ATOM 0 HA THR A 36 -3.426 16.539 13.446 1.00 0.00 H new ATOM 0 HB THR A 36 -1.291 16.743 14.425 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.907 18.620 14.217 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.547 18.054 13.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.163 16.576 12.450 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.410 18.158 11.868 1.00 0.00 H new ATOM 602 N SER A 37 -2.654 17.082 10.388 1.00 0.00 N ATOM 603 CA SER A 37 -2.875 17.818 9.187 1.00 0.00 C ATOM 604 C SER A 37 -3.652 16.958 8.237 1.00 0.00 C ATOM 605 O SER A 37 -3.037 16.111 7.590 1.00 0.00 O ATOM 606 CB SER A 37 -1.529 18.103 8.516 1.00 0.00 C ATOM 607 OG SER A 37 -0.853 19.155 9.189 1.00 0.00 O ATOM 0 H SER A 37 -2.209 16.176 10.239 1.00 0.00 H new ATOM 0 HA SER A 37 -3.403 18.742 9.422 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.914 17.203 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.686 18.373 7.472 1.00 0.00 H new ATOM 0 HG SER A 37 0.007 19.325 8.750 1.00 0.00 H new ATOM 613 N PRO A 38 -4.961 17.101 8.055 1.00 0.00 N ATOM 614 CA PRO A 38 -5.917 17.724 8.941 1.00 0.00 C ATOM 615 C PRO A 38 -6.138 16.775 10.088 1.00 0.00 C ATOM 616 O PRO A 38 -5.741 15.613 9.985 1.00 0.00 O ATOM 617 CB PRO A 38 -7.185 17.828 8.092 1.00 0.00 C ATOM 618 CG PRO A 38 -7.093 16.661 7.106 1.00 0.00 C ATOM 619 CD PRO A 38 -5.586 16.508 6.888 1.00 0.00 C ATOM 0 HA PRO A 38 -5.611 18.692 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.081 17.755 8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.234 18.784 7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.535 15.752 7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.615 16.879 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.309 15.459 6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.269 17.012 5.975 1.00 0.00 H new ATOM 627 N CYS A 39 -6.754 17.275 11.192 1.00 0.00 N ATOM 628 CA CYS A 39 -6.961 16.536 12.396 1.00 0.00 C ATOM 629 C CYS A 39 -7.798 15.328 12.122 1.00 0.00 C ATOM 630 O CYS A 39 -8.928 15.429 11.644 1.00 0.00 O ATOM 631 CB CYS A 39 -7.735 17.336 13.457 1.00 0.00 C ATOM 632 SG CYS A 39 -7.059 18.982 13.820 1.00 0.00 S ATOM 0 H CYS A 39 -7.116 18.227 11.237 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.965 16.287 12.761 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.767 17.449 13.124 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.759 16.758 14.381 1.00 0.00 H new ATOM 637 N LYS A 40 -7.211 14.153 12.426 1.00 0.00 N ATOM 638 CA LYS A 40 -7.854 12.883 12.297 1.00 0.00 C ATOM 639 C LYS A 40 -8.809 12.818 13.438 1.00 0.00 C ATOM 640 O LYS A 40 -8.469 13.216 14.550 1.00 0.00 O ATOM 641 CB LYS A 40 -6.833 11.726 12.383 1.00 0.00 C ATOM 642 CG LYS A 40 -7.399 10.305 12.239 1.00 0.00 C ATOM 643 CD LYS A 40 -8.115 10.029 10.909 1.00 0.00 C ATOM 644 CE LYS A 40 -8.614 8.585 10.812 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.291 8.362 9.516 1.00 0.00 N ATOM 0 H LYS A 40 -6.254 14.088 12.774 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.351 12.781 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.082 11.875 11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.319 11.794 13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.583 9.591 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.097 10.123 13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.958 10.711 10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.435 10.233 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.776 7.896 10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.302 8.375 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.625 7.378 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.102 9.008 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.623 8.543 8.740 1.00 0.00 H new ATOM 659 N ASP A 41 -10.039 12.337 13.152 1.00 0.00 N ATOM 660 CA ASP A 41 -11.129 12.372 14.082 1.00 0.00 C ATOM 661 C ASP A 41 -10.908 11.387 15.182 1.00 0.00 C ATOM 662 O ASP A 41 -11.114 11.715 16.347 1.00 0.00 O ATOM 663 CB ASP A 41 -12.486 12.061 13.423 1.00 0.00 C ATOM 664 CG ASP A 41 -13.600 12.247 14.447 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.756 13.390 14.955 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.316 11.248 14.729 1.00 0.00 O ATOM 0 H ASP A 41 -10.279 11.915 12.255 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.161 13.389 14.472 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.648 12.719 12.570 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.493 11.039 13.043 1.00 0.00 H new ATOM 671 N ILE A 42 -10.498 10.149 14.843 1.00 0.00 N ATOM 672 CA ILE A 42 -10.269 9.174 15.864 1.00 0.00 C ATOM 673 C ILE A 42 -9.222 8.244 15.338 1.00 0.00 C ATOM 674 O ILE A 42 -9.339 7.712 14.234 1.00 0.00 O ATOM 675 CB ILE A 42 -11.547 8.482 16.327 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.299 7.642 17.595 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.235 7.692 15.190 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.599 7.332 18.337 1.00 0.00 C ATOM 0 H ILE A 42 -10.329 9.830 13.889 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.911 9.647 16.779 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.260 9.258 16.605 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.806 6.709 17.322 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.621 8.178 18.259 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.140 7.218 15.572 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.496 8.373 14.380 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.555 6.927 14.816 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.379 6.738 19.224 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.080 8.264 18.634 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.267 6.772 17.682 1.00 0.00 H new ATOM 690 N ASN A 43 -8.142 8.049 16.124 1.00 0.00 N ATOM 691 CA ASN A 43 -7.116 7.126 15.721 1.00 0.00 C ATOM 692 C ASN A 43 -6.540 6.545 16.958 1.00 0.00 C ATOM 693 O ASN A 43 -6.131 7.257 17.874 1.00 0.00 O ATOM 694 CB ASN A 43 -5.971 7.740 14.891 1.00 0.00 C ATOM 695 CG ASN A 43 -5.112 6.639 14.266 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.631 6.097 13.123 1.00 0.00 O flip ATOM 697 ND2 ASN A 43 -4.027 6.299 14.751 1.00 0.00 N flip ATOM 0 H ASN A 43 -7.980 8.516 17.016 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.589 6.392 15.069 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.383 8.377 14.108 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.353 8.375 15.526 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.691 6.740 15.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.468 5.578 14.295 1.00 0.00 H new ATOM 704 N THR A 44 -6.504 5.203 16.980 1.00 0.00 N ATOM 705 CA THR A 44 -6.020 4.458 18.094 1.00 0.00 C ATOM 706 C THR A 44 -4.585 4.146 17.872 1.00 0.00 C ATOM 707 O THR A 44 -4.223 3.493 16.896 1.00 0.00 O ATOM 708 CB THR A 44 -6.807 3.190 18.241 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.099 3.531 18.706 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.166 2.221 19.242 1.00 0.00 C ATOM 0 H THR A 44 -6.820 4.622 16.203 1.00 0.00 H new ATOM 0 HA THR A 44 -6.132 5.042 19.008 1.00 0.00 H new ATOM 0 HB THR A 44 -6.839 2.691 17.272 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.734 2.829 18.452 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.772 1.318 19.314 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.164 1.959 18.904 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.106 2.696 20.221 1.00 0.00 H new ATOM 718 N PHE A 45 -3.737 4.587 18.822 1.00 0.00 N ATOM 719 CA PHE A 45 -2.374 4.158 18.858 1.00 0.00 C ATOM 720 C PHE A 45 -2.345 2.936 19.722 1.00 0.00 C ATOM 721 O PHE A 45 -2.749 2.979 20.880 1.00 0.00 O ATOM 722 CB PHE A 45 -1.387 5.203 19.406 1.00 0.00 C ATOM 723 CG PHE A 45 -1.346 6.363 18.461 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.260 7.392 18.599 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.410 6.437 17.440 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.264 8.454 17.718 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.392 7.517 16.582 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.325 8.522 16.708 1.00 0.00 C ATOM 0 H PHE A 45 -3.996 5.239 19.562 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.045 3.974 17.835 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.698 5.533 20.397 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.394 4.766 19.512 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.978 7.364 19.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.311 5.642 17.316 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.004 9.234 17.819 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.358 7.575 15.807 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.322 9.357 16.022 1.00 0.00 H new ATOM 738 N ILE A 46 -1.877 1.807 19.149 1.00 0.00 N ATOM 739 CA ILE A 46 -1.808 0.536 19.809 1.00 0.00 C ATOM 740 C ILE A 46 -0.421 0.438 20.334 1.00 0.00 C ATOM 741 O ILE A 46 0.517 0.972 19.757 1.00 0.00 O ATOM 742 CB ILE A 46 -1.997 -0.624 18.855 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.311 -0.445 18.065 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.915 -1.980 19.591 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.558 -1.581 17.077 1.00 0.00 C ATOM 0 H ILE A 46 -1.534 1.780 18.189 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.589 0.480 20.567 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.180 -0.630 18.133 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.146 -0.387 18.763 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.281 0.501 17.525 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.055 -2.791 18.876 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.938 -2.078 20.065 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.694 -2.029 20.352 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.495 -1.406 16.548 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.739 -1.624 16.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.617 -2.526 17.617 1.00 0.00 H new ATOM 757 N HIS A 47 -0.293 -0.266 21.465 1.00 0.00 N ATOM 758 CA HIS A 47 0.934 -0.420 22.204 1.00 0.00 C ATOM 759 C HIS A 47 1.048 -1.848 22.612 1.00 0.00 C ATOM 760 O HIS A 47 0.080 -2.447 23.081 1.00 0.00 O ATOM 761 CB HIS A 47 1.004 0.368 23.513 1.00 0.00 C ATOM 762 CG HIS A 47 0.134 1.574 23.510 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.290 2.604 22.612 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.923 1.914 24.290 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.664 3.510 22.885 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.425 3.140 23.897 1.00 0.00 N ATOM 0 H HIS A 47 -1.078 -0.756 21.894 1.00 0.00 H new ATOM 0 HA HIS A 47 1.719 -0.058 21.540 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.713 -0.282 24.338 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.035 0.671 23.694 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.996 2.668 21.878 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.314 1.315 25.099 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.793 4.433 22.340 1.00 0.00 H new ATOM 774 N GLY A 48 2.259 -2.417 22.484 1.00 0.00 N ATOM 775 CA GLY A 48 2.467 -3.754 22.943 1.00 0.00 C ATOM 776 C GLY A 48 3.717 -4.221 22.296 1.00 0.00 C ATOM 777 O GLY A 48 4.750 -3.558 22.380 1.00 0.00 O ATOM 0 H GLY A 48 3.076 -1.965 22.073 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.556 -3.784 24.029 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.626 -4.394 22.674 1.00 0.00 H new ATOM 781 N ASN A 49 3.629 -5.386 21.627 1.00 0.00 N ATOM 782 CA ASN A 49 4.686 -5.885 20.799 1.00 0.00 C ATOM 783 C ASN A 49 4.100 -5.957 19.437 1.00 0.00 C ATOM 784 O ASN A 49 2.948 -6.358 19.274 1.00 0.00 O ATOM 785 CB ASN A 49 5.145 -7.310 21.145 1.00 0.00 C ATOM 786 CG ASN A 49 6.088 -7.265 22.345 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.682 -7.011 23.485 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.398 -7.533 22.052 1.00 0.00 N ATOM 0 H ASN A 49 2.810 -5.993 21.661 1.00 0.00 H new ATOM 0 HA ASN A 49 5.552 -5.234 20.918 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.282 -7.937 21.371 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.650 -7.759 20.289 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.098 -7.530 22.794 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.675 -7.736 21.091 1.00 0.00 H new ATOM 795 N LYS A 50 4.914 -5.612 18.409 1.00 0.00 N ATOM 796 CA LYS A 50 4.497 -5.766 17.043 1.00 0.00 C ATOM 797 C LYS A 50 4.806 -7.157 16.567 1.00 0.00 C ATOM 798 O LYS A 50 4.446 -7.528 15.453 1.00 0.00 O ATOM 799 CB LYS A 50 5.057 -4.739 16.039 1.00 0.00 C ATOM 800 CG LYS A 50 6.577 -4.544 16.072 1.00 0.00 C ATOM 801 CD LYS A 50 7.063 -3.662 14.912 1.00 0.00 C ATOM 802 CE LYS A 50 8.574 -3.418 14.923 1.00 0.00 C ATOM 803 NZ LYS A 50 9.307 -4.688 14.730 1.00 0.00 N ATOM 0 H LYS A 50 5.853 -5.230 18.526 1.00 0.00 H new ATOM 0 HA LYS A 50 3.424 -5.576 17.065 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.770 -5.046 15.033 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.581 -3.777 16.227 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.865 -4.089 17.020 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.069 -5.515 16.022 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.785 -4.131 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.548 -2.703 14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.840 -2.715 14.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.868 -2.962 15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.320 -4.489 14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.174 -5.296 15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.943 -5.174 13.886 1.00 0.00 H new ATOM 817 N ARG A 51 5.451 -7.969 17.433 1.00 0.00 N ATOM 818 CA ARG A 51 5.615 -9.381 17.250 1.00 0.00 C ATOM 819 C ARG A 51 4.314 -10.045 17.577 1.00 0.00 C ATOM 820 O ARG A 51 3.971 -11.078 17.004 1.00 0.00 O ATOM 821 CB ARG A 51 6.670 -9.975 18.201 1.00 0.00 C ATOM 822 CG ARG A 51 8.046 -9.302 18.082 1.00 0.00 C ATOM 823 CD ARG A 51 9.057 -9.808 19.115 1.00 0.00 C ATOM 824 NE ARG A 51 9.281 -11.264 18.888 1.00 0.00 N ATOM 825 CZ ARG A 51 10.119 -11.972 19.700 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.769 -11.352 20.727 1.00 0.00 N ATOM 827 NH2 ARG A 51 10.306 -13.307 19.482 1.00 0.00 N ATOM 0 H ARG A 51 5.875 -7.626 18.295 1.00 0.00 H new ATOM 0 HA ARG A 51 5.934 -9.547 16.221 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.316 -9.883 19.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.776 -11.040 17.995 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.442 -9.474 17.081 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.927 -8.225 18.197 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.996 -9.262 19.024 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.685 -9.636 20.125 1.00 0.00 H new ATOM 0 HE ARG A 51 8.804 -11.735 18.119 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.630 -10.355 20.891 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.394 -11.886 21.331 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.820 -13.771 18.715 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.931 -13.840 20.086 1.00 0.00 H new ATOM 841 N SER A 52 3.566 -9.443 18.526 1.00 0.00 N ATOM 842 CA SER A 52 2.276 -9.912 18.933 1.00 0.00 C ATOM 843 C SER A 52 1.234 -9.461 17.953 1.00 0.00 C ATOM 844 O SER A 52 0.273 -10.198 17.750 1.00 0.00 O ATOM 845 CB SER A 52 1.899 -9.510 20.369 1.00 0.00 C ATOM 846 OG SER A 52 0.605 -9.991 20.705 1.00 0.00 O ATOM 0 H SER A 52 3.870 -8.606 19.023 1.00 0.00 H new ATOM 0 HA SER A 52 2.323 -11.001 18.938 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.633 -9.910 21.068 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.925 -8.425 20.466 1.00 0.00 H new ATOM 0 HG SER A 52 -0.064 -9.309 20.488 1.00 0.00 H new ATOM 852 N ILE A 53 1.407 -8.268 17.319 1.00 0.00 N ATOM 853 CA ILE A 53 0.573 -7.795 16.222 1.00 0.00 C ATOM 854 C ILE A 53 0.592 -8.778 15.086 1.00 0.00 C ATOM 855 O ILE A 53 -0.468 -9.206 14.626 1.00 0.00 O ATOM 856 CB ILE A 53 0.987 -6.420 15.691 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.793 -5.325 16.763 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.246 -6.037 14.392 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.665 -5.051 17.111 1.00 0.00 C ATOM 0 H ILE A 53 2.146 -7.612 17.573 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.432 -7.700 16.633 1.00 0.00 H new ATOM 0 HB ILE A 53 2.048 -6.491 15.450 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.323 -5.620 17.669 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.252 -4.401 16.411 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.578 -5.053 14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.464 -6.773 13.618 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.828 -6.014 14.579 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.717 -4.271 17.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.197 -4.724 16.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.125 -5.962 17.495 1.00 0.00 H new ATOM 871 N LYS A 54 1.815 -9.148 14.638 1.00 0.00 N ATOM 872 CA LYS A 54 2.071 -10.162 13.630 1.00 0.00 C ATOM 873 C LYS A 54 1.422 -11.468 13.969 1.00 0.00 C ATOM 874 O LYS A 54 0.815 -12.101 13.103 1.00 0.00 O ATOM 875 CB LYS A 54 3.551 -10.555 13.467 1.00 0.00 C ATOM 876 CG LYS A 54 4.436 -9.507 12.792 1.00 0.00 C ATOM 877 CD LYS A 54 5.924 -9.859 12.942 1.00 0.00 C ATOM 878 CE LYS A 54 6.885 -8.725 12.570 1.00 0.00 C ATOM 879 NZ LYS A 54 6.745 -8.364 11.144 1.00 0.00 N ATOM 0 H LYS A 54 2.672 -8.723 14.992 1.00 0.00 H new ATOM 0 HA LYS A 54 1.682 -9.687 12.729 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.962 -10.773 14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.603 -11.477 12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.181 -9.438 11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.245 -8.528 13.231 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.112 -10.154 13.974 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.144 -10.725 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.683 -7.853 13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.911 -9.031 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.664 -8.047 10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.422 -9.193 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.050 -7.597 11.047 1.00 0.00 H new ATOM 893 N ALA A 55 1.533 -11.890 15.252 1.00 0.00 N ATOM 894 CA ALA A 55 1.009 -13.139 15.734 1.00 0.00 C ATOM 895 C ALA A 55 -0.476 -13.155 15.961 1.00 0.00 C ATOM 896 O ALA A 55 -0.946 -14.064 16.631 1.00 0.00 O ATOM 897 CB ALA A 55 1.612 -13.561 17.085 1.00 0.00 C ATOM 0 H ALA A 55 2.002 -11.343 15.974 1.00 0.00 H new ATOM 0 HA ALA A 55 1.279 -13.819 14.926 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.177 -14.511 17.397 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.692 -13.672 16.983 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.395 -12.800 17.834 1.00 0.00 H new ATOM 903 N ILE A 56 -1.265 -12.194 15.427 1.00 0.00 N ATOM 904 CA ILE A 56 -2.692 -12.357 15.369 1.00 0.00 C ATOM 905 C ILE A 56 -2.954 -13.248 14.202 1.00 0.00 C ATOM 906 O ILE A 56 -3.833 -14.111 14.250 1.00 0.00 O ATOM 907 CB ILE A 56 -3.460 -11.043 15.233 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.881 -10.519 16.616 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.750 -11.172 14.397 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.749 -10.160 17.565 1.00 0.00 C ATOM 0 H ILE A 56 -0.920 -11.316 15.040 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.047 -12.782 16.308 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.774 -10.362 14.729 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.503 -9.636 16.474 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.504 -11.274 17.095 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.246 -10.203 14.341 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.500 -11.510 13.392 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.418 -11.894 14.867 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.164 -9.803 18.508 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.135 -11.042 17.750 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.135 -9.378 17.119 1.00 0.00 H new ATOM 922 N CYS A 57 -2.205 -13.013 13.112 1.00 0.00 N ATOM 923 CA CYS A 57 -2.667 -13.411 11.822 1.00 0.00 C ATOM 924 C CYS A 57 -2.263 -14.807 11.477 1.00 0.00 C ATOM 925 O CYS A 57 -2.972 -15.491 10.739 1.00 0.00 O ATOM 926 CB CYS A 57 -2.169 -12.468 10.725 1.00 0.00 C ATOM 927 SG CYS A 57 -2.940 -12.813 9.118 1.00 0.00 S ATOM 0 H CYS A 57 -1.294 -12.555 13.122 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.755 -13.365 11.874 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.378 -11.438 11.012 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.087 -12.560 10.634 1.00 0.00 H new ATOM 932 N GLU A 58 -1.105 -15.262 12.003 1.00 0.00 N ATOM 933 CA GLU A 58 -0.508 -16.507 11.597 1.00 0.00 C ATOM 934 C GLU A 58 -0.878 -17.640 12.516 1.00 0.00 C ATOM 935 O GLU A 58 -0.018 -18.400 12.963 1.00 0.00 O ATOM 936 CB GLU A 58 1.026 -16.378 11.462 1.00 0.00 C ATOM 937 CG GLU A 58 1.714 -15.740 12.678 1.00 0.00 C ATOM 938 CD GLU A 58 3.194 -15.571 12.360 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.513 -14.799 11.416 1.00 0.00 O ATOM 940 OE2 GLU A 58 4.024 -16.204 13.064 1.00 0.00 O ATOM 0 H GLU A 58 -0.576 -14.762 12.718 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.913 -16.746 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.450 -17.369 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.253 -15.783 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.262 -14.774 12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.585 -16.368 13.559 1.00 0.00 H new ATOM 947 N ASN A 59 -2.207 -17.774 12.744 1.00 0.00 N ATOM 948 CA ASN A 59 -2.916 -18.800 13.475 1.00 0.00 C ATOM 949 C ASN A 59 -2.337 -19.072 14.824 1.00 0.00 C ATOM 950 O ASN A 59 -2.080 -20.214 15.203 1.00 0.00 O ATOM 951 CB ASN A 59 -3.052 -20.119 12.695 1.00 0.00 C ATOM 952 CG ASN A 59 -3.687 -19.808 11.337 1.00 0.00 C ATOM 953 OD1 ASN A 59 -3.051 -19.968 10.289 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.977 -19.354 11.375 1.00 0.00 N ATOM 0 H ASN A 59 -2.858 -17.082 12.372 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.914 -18.383 13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.075 -20.584 12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.668 -20.827 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.464 -19.128 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.452 -19.242 12.271 1.00 0.00 H new ATOM 961 N LYS A 60 -2.146 -17.984 15.581 1.00 0.00 N ATOM 962 CA LYS A 60 -1.749 -18.031 16.948 1.00 0.00 C ATOM 963 C LYS A 60 -2.443 -16.800 17.396 1.00 0.00 C ATOM 964 O LYS A 60 -2.821 -16.030 16.517 1.00 0.00 O ATOM 965 CB LYS A 60 -0.221 -17.899 17.130 1.00 0.00 C ATOM 966 CG LYS A 60 0.319 -18.327 18.507 1.00 0.00 C ATOM 967 CD LYS A 60 0.074 -19.800 18.877 1.00 0.00 C ATOM 968 CE LYS A 60 0.743 -20.804 17.931 1.00 0.00 C ATOM 969 NZ LYS A 60 0.505 -22.184 18.405 1.00 0.00 N ATOM 0 H LYS A 60 -2.273 -17.035 15.228 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.985 -18.956 17.474 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.272 -18.497 16.363 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.060 -16.861 16.955 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.392 -18.136 18.534 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.137 -17.696 19.270 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.437 -19.974 19.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.000 -19.987 18.887 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.348 -20.684 16.922 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.814 -20.609 17.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.962 -22.857 17.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.903 -22.297 19.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.518 -22.370 18.432 1.00 0.00 H new ATOM 983 N ASN A 61 -2.618 -16.623 18.734 1.00 0.00 N ATOM 984 CA ASN A 61 -3.254 -15.547 19.481 1.00 0.00 C ATOM 985 C ASN A 61 -4.125 -14.580 18.718 1.00 0.00 C ATOM 986 O ASN A 61 -3.928 -13.368 18.749 1.00 0.00 O ATOM 987 CB ASN A 61 -2.291 -14.779 20.433 1.00 0.00 C ATOM 988 CG ASN A 61 -1.007 -14.268 19.770 1.00 0.00 C ATOM 989 OD1 ASN A 61 -0.108 -15.045 19.430 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.910 -12.908 19.647 1.00 0.00 N ATOM 0 H ASN A 61 -2.265 -17.331 19.378 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.956 -16.128 20.079 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.825 -13.931 20.861 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.020 -15.435 21.260 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.065 -12.490 19.259 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.683 -12.313 19.944 1.00 0.00 H new ATOM 997 N GLY A 62 -5.144 -15.123 18.020 1.00 0.00 N ATOM 998 CA GLY A 62 -6.029 -14.314 17.246 1.00 0.00 C ATOM 999 C GLY A 62 -6.881 -15.261 16.473 1.00 0.00 C ATOM 1000 O GLY A 62 -6.396 -16.266 15.952 1.00 0.00 O ATOM 0 H GLY A 62 -5.351 -16.121 17.994 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.637 -13.677 17.888 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.473 -13.656 16.579 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.192 -14.950 16.418 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.196 -15.822 15.886 1.00 0.00 C ATOM 1006 C ASN A 63 -9.596 -15.261 14.554 1.00 0.00 C ATOM 1007 O ASN A 63 -9.400 -14.064 14.353 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.446 -15.829 16.784 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.027 -16.315 18.171 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.683 -17.488 18.356 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.058 -15.374 19.163 1.00 0.00 N ATOM 0 H ASN A 63 -8.564 -14.062 16.755 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.804 -16.837 15.817 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.878 -14.830 16.844 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.212 -16.482 16.366 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.788 -15.626 20.114 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.351 -14.420 18.952 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.153 -16.039 13.633 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.727 -15.529 12.417 1.00 0.00 C ATOM 1020 C PRO A 64 -12.001 -14.836 12.785 1.00 0.00 C ATOM 1021 O PRO A 64 -12.782 -15.362 13.579 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.972 -16.762 11.542 1.00 0.00 C ATOM 1023 CG PRO A 64 -11.025 -17.939 12.519 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.106 -17.491 13.656 1.00 0.00 C ATOM 0 HA PRO A 64 -10.099 -14.815 11.884 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.904 -16.671 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.174 -16.892 10.811 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.040 -18.125 12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.674 -18.862 12.057 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.447 -17.881 14.615 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.089 -17.855 13.507 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.206 -13.640 12.200 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.324 -12.805 12.507 1.00 0.00 C ATOM 1034 C HIS A 65 -13.915 -12.397 11.202 1.00 0.00 C ATOM 1035 O HIS A 65 -13.350 -11.562 10.499 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.890 -11.539 13.273 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.976 -10.525 13.459 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.076 -10.747 14.242 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.086 -9.273 12.959 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.833 -9.659 14.215 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.253 -8.748 13.444 1.00 0.00 N ATOM 0 H HIS A 65 -11.579 -13.246 11.498 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.031 -13.346 13.136 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.513 -11.833 14.252 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.062 -11.073 12.740 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.385 -8.781 12.301 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.771 -9.534 14.736 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.615 -7.815 13.246 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.093 -12.975 10.880 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.902 -12.646 9.732 1.00 0.00 C ATOM 1052 C ARG A 66 -15.215 -12.938 8.426 1.00 0.00 C ATOM 1053 O ARG A 66 -15.085 -14.097 8.038 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.457 -11.202 9.716 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.392 -10.903 10.898 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.922 -9.462 10.898 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.649 -9.204 9.616 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.974 -9.497 9.451 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.709 -10.025 10.471 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -20.567 -9.261 8.243 1.00 0.00 N ATOM 0 H ARG A 66 -15.506 -13.713 11.451 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.759 -13.311 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.624 -10.499 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.996 -11.036 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.235 -11.594 10.870 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.859 -11.088 11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.590 -9.308 11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.097 -8.759 11.010 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.136 -8.794 8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.271 -10.207 11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.697 -10.238 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.022 -8.870 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.555 -9.476 8.109 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.810 -11.868 7.704 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.394 -11.942 6.338 1.00 0.00 C ATOM 1076 C GLU A 67 -13.059 -11.288 6.264 1.00 0.00 C ATOM 1077 O GLU A 67 -12.952 -10.097 5.976 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.337 -11.188 5.376 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.735 -11.810 5.279 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.573 -10.955 4.341 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.205 -10.852 3.141 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.597 -10.393 4.814 1.00 0.00 O ATOM 0 H GLU A 67 -14.773 -10.924 8.088 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.389 -12.989 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.430 -10.154 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.888 -11.165 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.671 -12.832 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.198 -11.859 6.264 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.013 -12.106 6.522 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.592 -11.831 6.413 1.00 0.00 C ATOM 1091 C ASN A 68 -10.102 -10.766 7.356 1.00 0.00 C ATOM 1092 O ASN A 68 -9.098 -10.104 7.096 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.006 -11.671 4.972 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.598 -10.526 4.132 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.466 -10.768 3.282 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.101 -9.273 4.358 1.00 0.00 N ATOM 0 H ASN A 68 -12.176 -13.061 6.841 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.167 -12.777 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.930 -11.518 5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.156 -12.607 4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.445 -8.482 3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.386 -9.129 5.071 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.790 -10.615 8.505 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.356 -9.747 9.555 1.00 0.00 C ATOM 1105 C LEU A 69 -9.970 -10.722 10.597 1.00 0.00 C ATOM 1106 O LEU A 69 -10.346 -11.889 10.501 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.461 -8.835 10.117 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.290 -8.076 9.057 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.478 -7.358 9.722 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.442 -7.096 8.229 1.00 0.00 C ATOM 0 H LEU A 69 -11.662 -11.105 8.707 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.581 -9.060 9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.138 -9.441 10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.003 -8.107 10.787 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.673 -8.817 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.053 -6.827 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.117 -8.091 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.107 -6.646 10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.077 -6.591 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.990 -6.357 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.657 -7.644 7.708 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.205 -10.289 11.613 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.813 -11.203 12.644 1.00 0.00 C ATOM 1124 C ARG A 70 -8.740 -10.429 13.907 1.00 0.00 C ATOM 1125 O ARG A 70 -7.983 -9.465 14.026 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.462 -11.913 12.432 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.563 -13.126 11.498 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.385 -14.090 11.604 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.817 -15.417 11.073 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.640 -15.776 9.766 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.057 -14.925 8.873 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -7.057 -17.009 9.350 1.00 0.00 N ATOM 0 H ARG A 70 -8.864 -9.334 11.723 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.557 -12.000 12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.745 -11.203 12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.072 -12.236 13.397 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.483 -13.667 11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.640 -12.774 10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.534 -13.713 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.062 -14.183 12.641 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.260 -16.080 11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.745 -14.003 9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.934 -15.211 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.495 -17.650 10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.931 -17.289 8.377 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.558 -10.872 14.881 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.681 -10.230 16.151 1.00 0.00 C ATOM 1148 C ILE A 71 -8.657 -10.871 17.026 1.00 0.00 C ATOM 1149 O ILE A 71 -8.404 -12.064 16.904 1.00 0.00 O ATOM 1150 CB ILE A 71 -11.097 -10.349 16.700 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.335 -9.411 17.899 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.483 -11.812 17.010 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.826 -9.164 18.149 1.00 0.00 C ATOM 0 H ILE A 71 -10.148 -11.698 14.781 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.505 -9.156 16.086 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.769 -10.016 15.909 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.885 -9.844 18.792 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.835 -8.459 17.719 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.501 -11.845 17.399 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.424 -12.405 16.097 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.797 -12.220 17.753 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.946 -8.498 19.003 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.272 -8.706 17.266 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.322 -10.112 18.356 1.00 0.00 H new ATOM 1165 N SER A 72 -8.024 -10.078 17.912 1.00 0.00 N ATOM 1166 CA SER A 72 -6.947 -10.587 18.711 1.00 0.00 C ATOM 1167 C SER A 72 -7.469 -11.269 19.927 1.00 0.00 C ATOM 1168 O SER A 72 -8.602 -11.048 20.354 1.00 0.00 O ATOM 1169 CB SER A 72 -5.943 -9.519 19.168 1.00 0.00 C ATOM 1170 OG SER A 72 -6.495 -8.667 20.150 1.00 0.00 O ATOM 0 H SER A 72 -8.253 -9.097 18.075 1.00 0.00 H new ATOM 0 HA SER A 72 -6.421 -11.282 18.057 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.052 -10.004 19.567 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.626 -8.927 18.309 1.00 0.00 H new ATOM 0 HG SER A 72 -5.828 -8.001 20.418 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.604 -12.127 20.504 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.910 -12.866 21.690 1.00 0.00 C ATOM 1178 C LYS A 73 -5.843 -12.493 22.674 1.00 0.00 C ATOM 1179 O LYS A 73 -5.874 -12.912 23.831 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.919 -14.388 21.417 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.536 -15.280 22.508 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.001 -14.960 22.838 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.609 -15.954 23.832 1.00 0.00 C ATOM 1184 NZ LYS A 73 -11.017 -15.598 24.113 1.00 0.00 N ATOM 0 H LYS A 73 -5.670 -12.310 20.136 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.905 -12.629 22.067 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.460 -14.564 20.487 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.891 -14.711 21.254 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.467 -16.321 22.191 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.942 -15.184 23.417 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.066 -13.953 23.251 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.587 -14.966 21.919 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.556 -16.964 23.426 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.034 -15.952 24.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.419 -16.279 24.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.059 -14.642 24.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.564 -15.623 23.229 1.00 0.00 H new ATOM 1198 N SER A 74 -4.875 -11.665 22.223 1.00 0.00 N ATOM 1199 CA SER A 74 -3.864 -11.118 23.070 1.00 0.00 C ATOM 1200 C SER A 74 -4.087 -9.652 22.963 1.00 0.00 C ATOM 1201 O SER A 74 -3.512 -8.992 22.102 1.00 0.00 O ATOM 1202 CB SER A 74 -2.430 -11.449 22.622 1.00 0.00 C ATOM 1203 OG SER A 74 -1.487 -10.804 23.464 1.00 0.00 O ATOM 0 H SER A 74 -4.798 -11.373 21.249 1.00 0.00 H new ATOM 0 HA SER A 74 -3.942 -11.527 24.078 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.274 -12.527 22.649 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.282 -11.131 21.590 1.00 0.00 H new ATOM 0 HG SER A 74 -0.579 -11.025 23.168 1.00 0.00 H new ATOM 1209 N SER A 75 -4.970 -9.143 23.844 1.00 0.00 N ATOM 1210 CA SER A 75 -5.378 -7.764 23.919 1.00 0.00 C ATOM 1211 C SER A 75 -4.224 -6.856 24.223 1.00 0.00 C ATOM 1212 O SER A 75 -3.326 -7.189 24.996 1.00 0.00 O ATOM 1213 CB SER A 75 -6.455 -7.535 24.990 1.00 0.00 C ATOM 1214 OG SER A 75 -6.040 -8.090 26.226 1.00 0.00 O ATOM 0 H SER A 75 -5.428 -9.725 24.546 1.00 0.00 H new ATOM 0 HA SER A 75 -5.786 -7.529 22.936 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.642 -6.467 25.106 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.394 -7.990 24.675 1.00 0.00 H new ATOM 0 HG SER A 75 -5.801 -7.369 26.845 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.238 -5.675 23.566 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.111 -4.790 23.530 1.00 0.00 C ATOM 1222 C PHE A 76 -3.507 -3.573 24.261 1.00 0.00 C ATOM 1223 O PHE A 76 -4.695 -3.320 24.444 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.770 -4.296 22.113 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.354 -5.425 21.241 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.309 -6.169 20.585 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -1.015 -5.718 21.046 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.945 -7.235 19.801 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.645 -6.786 20.251 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.618 -7.566 19.662 1.00 0.00 C ATOM 0 H PHE A 76 -5.048 -5.331 23.051 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.258 -5.332 23.939 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.637 -3.797 21.679 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.970 -3.557 22.164 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.353 -5.912 20.688 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.257 -5.110 21.517 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.702 -7.814 19.293 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.400 -7.009 20.092 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.337 -8.438 19.091 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.502 -2.776 24.680 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.767 -1.513 25.283 1.00 0.00 C ATOM 1242 C GLN A 77 -3.098 -0.566 24.204 1.00 0.00 C ATOM 1243 O GLN A 77 -2.565 -0.661 23.105 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.604 -0.940 26.105 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.895 -1.881 27.076 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.407 -1.013 28.231 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.554 -0.246 28.110 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.139 -1.144 29.381 1.00 0.00 N ATOM 0 H GLN A 77 -1.512 -3.010 24.599 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.585 -1.660 25.988 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.860 -0.552 25.409 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.981 -0.091 26.675 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.573 -2.656 27.432 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.061 -2.386 26.589 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.922 -1.797 29.415 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.901 -0.589 30.203 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.028 0.360 24.493 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.597 1.174 23.464 1.00 0.00 C ATOM 1259 C VAL A 78 -4.761 2.536 24.061 1.00 0.00 C ATOM 1260 O VAL A 78 -5.070 2.678 25.239 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.909 0.553 23.000 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.040 1.560 22.700 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.543 -0.312 21.782 1.00 0.00 C ATOM 0 H VAL A 78 -4.384 0.545 25.431 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.971 1.246 22.574 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.343 -0.036 23.808 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.931 1.021 22.377 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.267 2.131 23.600 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.721 2.240 21.910 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.441 -0.792 21.393 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.104 0.317 21.008 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.824 -1.075 22.080 1.00 0.00 H new ATOM 1273 N THR A 79 -4.538 3.584 23.245 1.00 0.00 N ATOM 1274 CA THR A 79 -4.921 4.915 23.609 1.00 0.00 C ATOM 1275 C THR A 79 -5.633 5.389 22.404 1.00 0.00 C ATOM 1276 O THR A 79 -5.018 5.668 21.376 1.00 0.00 O ATOM 1277 CB THR A 79 -3.790 5.865 23.919 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.078 5.399 25.048 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.342 7.260 24.261 1.00 0.00 C ATOM 0 H THR A 79 -4.091 3.509 22.331 1.00 0.00 H new ATOM 0 HA THR A 79 -5.495 4.893 24.536 1.00 0.00 H new ATOM 0 HB THR A 79 -3.142 5.921 23.045 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.501 4.652 24.785 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.515 7.934 24.482 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.907 7.646 23.413 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.995 7.190 25.131 1.00 0.00 H new ATOM 1287 N THR A 80 -6.966 5.492 22.530 1.00 0.00 N ATOM 1288 CA THR A 80 -7.795 6.005 21.491 1.00 0.00 C ATOM 1289 C THR A 80 -7.750 7.494 21.614 1.00 0.00 C ATOM 1290 O THR A 80 -8.416 8.074 22.468 1.00 0.00 O ATOM 1291 CB THR A 80 -9.207 5.499 21.614 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.181 4.085 21.743 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.000 5.870 20.356 1.00 0.00 C ATOM 0 H THR A 80 -7.476 5.214 23.369 1.00 0.00 H new ATOM 0 HA THR A 80 -7.438 5.677 20.515 1.00 0.00 H new ATOM 0 HB THR A 80 -9.680 5.948 22.487 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.856 3.686 20.909 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.022 5.502 20.448 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.014 6.954 20.241 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.529 5.418 19.483 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.938 8.140 20.750 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.790 9.563 20.773 1.00 0.00 C ATOM 1303 C CYS A 81 -7.879 10.073 19.897 1.00 0.00 C ATOM 1304 O CYS A 81 -7.899 9.799 18.698 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.456 10.049 20.185 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.001 9.494 21.121 1.00 0.00 S ATOM 0 H CYS A 81 -6.383 7.672 20.034 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.824 9.913 21.805 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.372 9.696 19.157 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.460 11.138 20.149 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.825 10.808 20.503 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.032 11.190 19.839 1.00 0.00 C ATOM 1313 C LYS A 82 -10.026 12.677 19.879 1.00 0.00 C ATOM 1314 O LYS A 82 -9.761 13.264 20.924 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.273 10.618 20.561 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.632 10.966 19.931 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.405 12.056 20.689 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.726 12.425 20.012 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.392 13.510 20.763 1.00 0.00 N ATOM 0 H LYS A 82 -8.753 11.142 21.464 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.080 10.805 18.820 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.179 9.533 20.601 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.268 10.976 21.591 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.473 11.294 18.904 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.243 10.064 19.886 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.605 11.714 21.704 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.782 12.947 20.770 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.542 12.742 18.985 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.376 11.552 19.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.289 13.755 20.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.582 13.193 21.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.774 14.346 20.786 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.303 13.301 18.715 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.297 14.722 18.519 1.00 0.00 C ATOM 1335 C LEU A 83 -11.445 15.307 19.264 1.00 0.00 C ATOM 1336 O LEU A 83 -12.609 15.069 18.947 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.473 15.049 17.015 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.466 16.530 16.569 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.081 17.183 16.694 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.967 16.623 15.115 1.00 0.00 C ATOM 0 H LEU A 83 -10.543 12.787 17.867 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.352 15.133 18.874 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.680 14.537 16.471 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.417 14.611 16.690 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.131 17.079 17.236 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.137 18.221 16.367 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.754 17.147 17.733 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.367 16.645 16.070 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.964 17.665 14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.311 16.043 14.466 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.981 16.227 15.053 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.096 16.106 20.287 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.036 16.765 21.130 1.00 0.00 C ATOM 1354 C HIS A 84 -11.627 18.200 21.084 1.00 0.00 C ATOM 1355 O HIS A 84 -11.329 18.826 22.101 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.978 16.207 22.563 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.891 16.884 23.533 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -14.249 16.943 23.379 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.587 17.541 24.673 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.754 17.621 24.399 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.765 17.997 25.200 1.00 0.00 N ATOM 0 H HIS A 84 -10.125 16.298 20.534 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.066 16.621 20.803 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.222 15.145 22.535 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.955 16.289 22.929 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.601 17.680 25.090 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.802 17.833 24.554 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.866 18.534 26.061 1.00 0.00 H new ATOM 1370 N GLY A 85 -11.597 18.732 19.849 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.249 20.094 19.581 1.00 0.00 C ATOM 1372 C GLY A 85 -12.453 20.692 18.958 1.00 0.00 C ATOM 1373 O GLY A 85 -13.275 21.312 19.630 1.00 0.00 O ATOM 0 H GLY A 85 -11.822 18.198 19.010 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.979 20.618 20.498 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.389 20.156 18.914 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.566 20.494 17.633 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.681 20.979 16.875 1.00 0.00 C ATOM 1379 C GLY A 86 -13.136 21.593 15.632 1.00 0.00 C ATOM 1380 O GLY A 86 -13.881 21.843 14.686 1.00 0.00 O ATOM 0 H GLY A 86 -11.874 19.990 17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.365 20.165 16.634 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.247 21.712 17.450 1.00 0.00 H new ATOM 1384 N SER A 87 -11.811 21.853 15.624 1.00 0.00 N ATOM 1385 CA SER A 87 -11.150 22.435 14.491 1.00 0.00 C ATOM 1386 C SER A 87 -10.762 21.299 13.582 1.00 0.00 C ATOM 1387 O SER A 87 -10.187 20.336 14.088 1.00 0.00 O ATOM 1388 CB SER A 87 -9.867 23.184 14.885 1.00 0.00 C ATOM 1389 OG SER A 87 -9.337 23.868 13.759 1.00 0.00 O ATOM 0 H SER A 87 -11.193 21.657 16.411 1.00 0.00 H new ATOM 0 HA SER A 87 -11.823 23.152 14.020 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.082 23.894 15.684 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.130 22.481 15.273 1.00 0.00 H new ATOM 0 HG SER A 87 -8.531 23.407 13.445 1.00 0.00 H new ATOM 1395 N PRO A 88 -11.010 21.335 12.273 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.570 20.288 11.390 1.00 0.00 C ATOM 1397 C PRO A 88 -9.128 20.510 11.054 1.00 0.00 C ATOM 1398 O PRO A 88 -8.487 19.559 10.619 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.379 20.467 10.105 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.597 21.290 10.523 1.00 0.00 C ATOM 1401 CD PRO A 88 -12.054 22.145 11.667 1.00 0.00 C ATOM 0 HA PRO A 88 -10.697 19.302 11.838 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.798 20.981 9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.676 19.505 9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.971 21.903 9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.421 20.655 10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.657 23.091 11.300 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.836 22.385 12.387 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.623 21.748 11.194 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.318 22.118 10.738 1.00 0.00 C ATOM 1411 C TRP A 89 -6.416 22.159 11.933 1.00 0.00 C ATOM 1412 O TRP A 89 -6.943 22.164 13.045 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.389 23.495 10.059 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.349 23.445 8.899 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.602 23.974 8.791 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.130 22.666 7.710 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.170 23.590 7.600 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.278 22.778 6.929 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.067 21.904 7.312 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.379 22.130 5.731 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.173 21.238 6.109 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.311 21.351 5.330 1.00 0.00 C ATOM 0 H TRP A 89 -9.134 22.512 11.635 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.935 21.402 10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.712 24.248 10.778 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.399 23.790 9.711 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.077 24.601 9.531 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.096 23.860 7.268 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.176 21.826 7.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.263 22.223 5.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.356 20.619 5.770 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.365 20.820 4.391 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.094 22.183 11.783 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.196 22.188 12.904 1.00 0.00 C ATOM 1435 C PRO A 90 -4.268 23.566 13.528 1.00 0.00 C ATOM 1436 O PRO A 90 -4.359 24.522 12.758 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.804 21.915 12.323 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.948 22.106 10.810 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.420 21.796 10.556 1.00 0.00 C ATOM 0 HA PRO A 90 -4.436 21.446 13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.065 22.601 12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.470 20.905 12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.692 23.121 10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.294 21.433 10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.801 22.355 9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.570 20.739 10.338 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.221 23.761 14.837 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.840 22.780 15.813 1.00 0.00 C ATOM 1449 C PRO A 91 -5.056 22.004 16.201 1.00 0.00 C ATOM 1450 O PRO A 91 -6.184 22.411 15.923 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.349 23.582 17.010 1.00 0.00 C ATOM 1452 CG PRO A 91 -4.093 24.909 16.889 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.201 25.103 15.376 1.00 0.00 C ATOM 0 HA PRO A 91 -3.082 22.088 15.446 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.578 23.079 17.950 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.269 23.725 16.980 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.074 24.867 17.362 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.546 25.724 17.363 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.105 25.651 15.110 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.357 25.674 14.988 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.792 20.860 16.844 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.788 19.877 17.140 1.00 0.00 C ATOM 1463 C CYS A 92 -5.673 19.592 18.600 1.00 0.00 C ATOM 1464 O CYS A 92 -4.574 19.353 19.099 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.517 18.538 16.430 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.241 18.654 14.638 1.00 0.00 S ATOM 0 H CYS A 92 -3.859 20.607 17.170 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.758 20.259 16.823 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.643 18.073 16.887 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.362 17.873 16.609 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.818 19.595 19.312 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.849 19.203 20.693 1.00 0.00 C ATOM 1473 C GLN A 93 -7.301 17.785 20.708 1.00 0.00 C ATOM 1474 O GLN A 93 -8.369 17.473 20.190 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.851 20.002 21.541 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.536 21.499 21.603 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.642 22.171 22.414 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.510 22.857 21.859 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.598 21.958 23.764 1.00 0.00 N ATOM 0 H GLN A 93 -7.724 19.869 18.932 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.859 19.372 21.117 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.852 19.865 21.132 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.862 19.598 22.553 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.565 21.667 22.068 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.486 21.922 20.600 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.858 21.383 24.166 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.305 22.374 24.369 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.487 16.892 21.302 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.802 15.494 21.357 1.00 0.00 C ATOM 1490 C TYR A 94 -6.971 15.101 22.777 1.00 0.00 C ATOM 1491 O TYR A 94 -6.049 15.244 23.576 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.684 14.599 20.819 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.689 14.684 19.344 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.659 13.992 18.656 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.751 15.415 18.646 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.731 14.059 17.285 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.807 15.467 17.270 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.802 14.800 16.591 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.828 14.831 15.186 1.00 0.00 O ATOM 0 H TYR A 94 -5.604 17.140 21.748 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.697 15.360 20.750 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.719 14.918 21.214 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.835 13.568 21.140 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.372 13.389 19.199 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.974 15.946 19.176 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.512 13.533 16.756 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.068 16.033 16.722 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.610 14.338 14.862 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.163 14.557 23.096 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.413 13.988 24.390 1.00 0.00 C ATOM 1511 C ARG A 95 -8.108 12.526 24.297 1.00 0.00 C ATOM 1512 O ARG A 95 -8.630 11.831 23.427 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.869 14.183 24.863 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.163 13.588 26.250 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.496 14.049 26.848 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.368 15.493 27.203 1.00 0.00 N ATOM 1517 CZ ARG A 95 -12.317 16.114 27.962 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -13.430 15.437 28.368 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -12.154 17.424 28.311 1.00 0.00 N ATOM 0 H ARG A 95 -8.956 14.511 22.456 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.783 14.494 25.122 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.094 15.249 24.882 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.540 13.728 24.135 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.165 12.501 26.176 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.356 13.860 26.931 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.305 13.903 26.133 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.741 13.460 27.732 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.561 16.023 26.874 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.557 14.460 28.104 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.135 15.908 28.935 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.326 17.934 28.005 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.861 17.892 28.878 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.253 12.034 25.219 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.914 10.643 25.284 1.00 0.00 C ATOM 1535 C ALA A 96 -7.974 9.905 26.022 1.00 0.00 C ATOM 1536 O ALA A 96 -8.394 10.316 27.103 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.629 10.377 26.077 1.00 0.00 C ATOM 0 H ALA A 96 -6.793 12.608 25.926 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.795 10.321 24.249 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.425 9.306 26.091 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.796 10.899 25.606 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.751 10.736 27.099 1.00 0.00 H new ATOM 1543 N THR A 97 -8.401 8.767 25.442 1.00 0.00 N ATOM 1544 CA THR A 97 -9.279 7.842 26.096 1.00 0.00 C ATOM 1545 C THR A 97 -8.497 6.571 26.143 1.00 0.00 C ATOM 1546 O THR A 97 -8.450 5.823 25.167 1.00 0.00 O ATOM 1547 CB THR A 97 -10.584 7.649 25.365 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.185 8.917 25.151 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.541 6.774 26.195 1.00 0.00 C ATOM 0 H THR A 97 -8.131 8.483 24.500 1.00 0.00 H new ATOM 0 HA THR A 97 -9.573 8.204 27.081 1.00 0.00 H new ATOM 0 HB THR A 97 -10.388 7.155 24.413 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.033 8.801 24.675 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.478 6.645 25.653 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.085 5.799 26.369 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.739 7.258 27.152 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.847 6.319 27.299 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.991 5.181 27.472 1.00 0.00 C ATOM 1559 C ALA A 98 -7.824 3.965 27.714 1.00 0.00 C ATOM 1560 O ALA A 98 -8.813 4.009 28.444 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.042 5.331 28.667 1.00 0.00 C ATOM 0 H ALA A 98 -7.917 6.914 28.125 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.397 5.096 26.562 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.418 4.441 28.750 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.409 6.206 28.521 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.624 5.453 29.581 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.419 2.842 27.092 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.125 1.606 27.232 1.00 0.00 C ATOM 1569 C GLY A 99 -7.133 0.505 27.068 1.00 0.00 C ATOM 1570 O GLY A 99 -5.926 0.728 27.022 1.00 0.00 O ATOM 0 H GLY A 99 -6.598 2.791 26.489 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.606 1.547 28.208 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.913 1.527 26.483 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.636 -0.734 26.984 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.793 -1.881 26.855 1.00 0.00 C ATOM 1576 C PHE A 100 -7.722 -2.855 26.206 1.00 0.00 C ATOM 1577 O PHE A 100 -8.596 -3.418 26.864 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.270 -2.360 28.233 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.429 -3.585 28.131 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.102 -3.518 27.741 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.959 -4.804 28.512 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.347 -4.673 27.676 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.192 -5.949 28.477 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.885 -5.887 28.043 1.00 0.00 C ATOM 0 H PHE A 100 -8.634 -0.945 27.005 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.879 -1.715 26.285 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.689 -1.562 28.694 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.117 -2.558 28.890 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.659 -2.566 27.489 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.986 -4.860 28.841 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.324 -4.624 27.334 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.614 -6.893 28.789 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.287 -6.785 27.991 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.585 -3.008 24.870 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.632 -3.580 24.072 1.00 0.00 C ATOM 1596 C ARG A 101 -8.018 -4.490 23.058 1.00 0.00 C ATOM 1597 O ARG A 101 -6.901 -4.270 22.591 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.453 -2.490 23.345 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.837 -2.954 22.863 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.677 -1.816 22.276 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.991 -2.371 21.835 1.00 0.00 N ATOM 1602 CZ ARG A 101 -14.090 -2.392 22.648 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -14.022 -1.940 23.934 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -15.273 -2.874 22.163 1.00 0.00 N ATOM 0 H ARG A 101 -6.753 -2.737 24.346 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.307 -4.128 24.729 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.581 -1.641 24.016 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.883 -2.135 22.487 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.712 -3.732 22.110 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.375 -3.403 23.698 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.827 -1.034 23.021 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.158 -1.358 21.434 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.072 -2.749 20.891 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.142 -1.579 24.302 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.852 -1.963 24.527 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.330 -3.214 21.203 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.099 -2.894 22.761 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.779 -5.546 22.705 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.439 -6.497 21.690 1.00 0.00 C ATOM 1620 C ASN A 102 -8.783 -5.909 20.355 1.00 0.00 C ATOM 1621 O ASN A 102 -9.856 -5.339 20.161 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.135 -7.865 21.888 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.651 -7.747 22.095 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.153 -7.173 23.068 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.396 -8.375 21.137 1.00 0.00 N ATOM 0 H ASN A 102 -9.675 -5.745 23.150 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.370 -6.698 21.753 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.941 -8.493 21.019 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.695 -8.368 22.749 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.414 -8.384 21.207 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.935 -8.835 20.352 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.816 -6.016 19.417 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.814 -5.245 18.207 1.00 0.00 C ATOM 1634 C VAL A 103 -8.165 -6.128 17.047 1.00 0.00 C ATOM 1635 O VAL A 103 -7.750 -7.283 16.995 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.483 -4.541 17.973 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.191 -3.682 19.219 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.332 -5.536 17.729 1.00 0.00 C ATOM 0 H VAL A 103 -7.022 -6.650 19.502 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.566 -4.462 18.306 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.553 -3.926 17.076 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.243 -3.161 19.088 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.990 -2.953 19.354 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.134 -4.324 20.098 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.404 -4.987 17.567 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.222 -6.186 18.597 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.554 -6.140 16.849 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.941 -5.589 16.078 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.300 -6.312 14.886 1.00 0.00 C ATOM 1650 C VAL A 104 -8.393 -5.817 13.805 1.00 0.00 C ATOM 1651 O VAL A 104 -8.683 -4.806 13.172 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.741 -6.097 14.450 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.043 -6.872 13.152 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.667 -6.621 15.554 1.00 0.00 C ATOM 0 H VAL A 104 -9.322 -4.644 16.122 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.200 -7.379 15.085 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.900 -5.033 14.272 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.079 -6.703 12.860 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.381 -6.525 12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.882 -7.937 13.318 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.706 -6.475 15.258 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.481 -7.683 15.711 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.474 -6.078 16.479 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.277 -6.534 13.556 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.374 -6.145 12.500 1.00 0.00 C ATOM 1666 C VAL A 105 -6.795 -6.954 11.307 1.00 0.00 C ATOM 1667 O VAL A 105 -7.075 -8.145 11.436 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.895 -6.324 12.786 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.513 -5.327 13.891 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.509 -7.755 13.194 1.00 0.00 C ATOM 0 H VAL A 105 -7.000 -7.369 14.073 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.454 -5.068 12.354 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.345 -6.134 11.864 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.453 -5.429 14.122 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.714 -4.311 13.550 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.101 -5.533 14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.436 -7.803 13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.049 -8.033 14.099 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.768 -8.445 12.391 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.857 -6.325 10.116 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.119 -7.058 8.905 1.00 0.00 C ATOM 1682 C ALA A 106 -5.780 -7.404 8.378 1.00 0.00 C ATOM 1683 O ALA A 106 -4.946 -6.510 8.242 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.864 -6.276 7.817 1.00 0.00 C ATOM 0 H ALA A 106 -6.728 -5.321 9.988 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.765 -7.902 9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.013 -6.915 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.832 -5.953 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.278 -5.403 7.530 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.534 -8.704 8.103 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.239 -9.145 7.739 1.00 0.00 C ATOM 1692 C CYS A 107 -4.242 -9.961 6.498 1.00 0.00 C ATOM 1693 O CYS A 107 -5.283 -10.403 6.012 1.00 0.00 O ATOM 1694 CB CYS A 107 -3.648 -10.014 8.844 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.527 -11.563 9.129 1.00 0.00 S ATOM 0 H CYS A 107 -6.240 -9.440 8.136 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.648 -8.244 7.576 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -2.611 -10.240 8.596 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.636 -9.442 9.772 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.017 -10.174 5.975 1.00 0.00 N ATOM 1701 CA GLU A 108 -2.782 -10.993 4.829 1.00 0.00 C ATOM 1702 C GLU A 108 -1.438 -11.596 5.074 1.00 0.00 C ATOM 1703 O GLU A 108 -0.504 -10.890 5.439 1.00 0.00 O ATOM 1704 CB GLU A 108 -2.728 -10.167 3.525 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.548 -11.002 2.252 1.00 0.00 C ATOM 1706 CD GLU A 108 -2.634 -10.055 1.063 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -1.767 -9.145 0.966 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.567 -10.231 0.236 1.00 0.00 O ATOM 0 H GLU A 108 -2.168 -9.763 6.363 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.581 -11.724 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.647 -9.588 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.907 -9.453 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.586 -11.515 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.319 -11.770 2.186 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.314 -12.928 4.873 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.086 -13.698 4.868 1.00 0.00 C ATOM 1717 C ASN A 109 0.539 -13.993 6.208 1.00 0.00 C ATOM 1718 O ASN A 109 1.450 -14.819 6.263 1.00 0.00 O ATOM 1719 CB ASN A 109 1.007 -13.294 3.823 1.00 0.00 C ATOM 1720 CG ASN A 109 1.900 -12.086 4.175 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.749 -12.126 5.073 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.720 -10.986 3.380 1.00 0.00 N ATOM 0 H ASN A 109 -2.131 -13.514 4.701 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.507 -14.638 4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.653 -14.156 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.509 -13.083 2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.298 -10.157 3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.008 -10.995 2.650 1.00 0.00 H new ATOM 1729 N GLY A 110 0.095 -13.346 7.311 1.00 0.00 N ATOM 1730 CA GLY A 110 0.719 -13.532 8.590 1.00 0.00 C ATOM 1731 C GLY A 110 1.245 -12.211 9.043 1.00 0.00 C ATOM 1732 O GLY A 110 1.970 -12.140 10.034 1.00 0.00 O ATOM 0 H GLY A 110 -0.692 -12.698 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.001 -13.924 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.527 -14.260 8.517 1.00 0.00 H new ATOM 1736 N LEU A 111 0.885 -11.133 8.315 1.00 0.00 N ATOM 1737 CA LEU A 111 1.365 -9.818 8.631 1.00 0.00 C ATOM 1738 C LEU A 111 0.202 -8.902 8.376 1.00 0.00 C ATOM 1739 O LEU A 111 -0.349 -8.960 7.281 1.00 0.00 O ATOM 1740 CB LEU A 111 2.564 -9.467 7.730 1.00 0.00 C ATOM 1741 CG LEU A 111 3.180 -8.068 7.804 1.00 0.00 C ATOM 1742 CD1 LEU A 111 4.266 -8.056 8.883 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.820 -7.657 6.470 1.00 0.00 C ATOM 0 H LEU A 111 0.262 -11.172 7.508 1.00 0.00 H new ATOM 0 HA LEU A 111 1.714 -9.735 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.356 -10.184 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.256 -9.634 6.698 1.00 0.00 H new ATOM 0 HG LEU A 111 2.382 -7.364 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.710 -7.062 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.825 -8.314 9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.038 -8.783 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.246 -6.658 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.608 -8.365 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.061 -7.656 5.687 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.204 -8.046 9.302 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.336 -7.185 9.087 1.00 0.00 C ATOM 1757 C PRO A 112 -1.118 -6.142 8.033 1.00 0.00 C ATOM 1758 O PRO A 112 0.007 -5.887 7.617 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.582 -6.560 10.446 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.278 -7.718 11.387 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.066 -8.361 10.718 1.00 0.00 C ATOM 0 HA PRO A 112 -2.188 -7.749 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.929 -5.706 10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.607 -6.206 10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.052 -7.375 12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.116 -8.411 11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.865 -7.963 11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.050 -9.438 10.883 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.221 -5.546 7.560 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.159 -4.516 6.571 1.00 0.00 C ATOM 1771 C VAL A 113 -3.019 -3.375 7.002 1.00 0.00 C ATOM 1772 O VAL A 113 -2.857 -2.269 6.491 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.598 -4.950 5.185 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.387 -5.538 4.446 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.747 -5.974 5.251 1.00 0.00 C ATOM 0 H VAL A 113 -3.166 -5.778 7.864 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.108 -4.236 6.493 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.976 -4.083 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.689 -5.854 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.607 -4.781 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.005 -6.396 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.036 -6.262 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.417 -6.856 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.602 -5.529 5.760 1.00 0.00 H new ATOM 1785 N HIS A 114 -3.976 -3.604 7.929 1.00 0.00 N ATOM 1786 CA HIS A 114 -4.969 -2.607 8.215 1.00 0.00 C ATOM 1787 C HIS A 114 -5.486 -2.941 9.568 1.00 0.00 C ATOM 1788 O HIS A 114 -4.995 -3.865 10.215 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.208 -2.664 7.295 1.00 0.00 C ATOM 1790 CG HIS A 114 -5.947 -2.718 5.836 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.103 -3.797 5.055 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -5.546 -1.683 5.037 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -5.789 -3.423 3.778 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.454 -2.138 3.793 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.061 -4.464 8.471 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.500 -1.630 8.097 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.796 -3.540 7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.825 -1.789 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.340 -0.673 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.810 -4.062 2.908 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.172 -1.590 2.981 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.512 -2.185 10.009 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.122 -2.350 11.292 1.00 0.00 C ATOM 1805 C LEU A 115 -8.385 -1.576 11.189 1.00 0.00 C ATOM 1806 O LEU A 115 -8.414 -0.470 10.649 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.159 -1.847 12.386 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.585 -1.365 13.795 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.868 0.141 13.758 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.527 -2.300 14.572 1.00 0.00 C ATOM 0 H LEU A 115 -6.928 -1.437 9.454 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.337 -3.382 11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.445 -2.654 12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.608 -1.019 11.941 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.746 -1.467 14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.168 0.479 14.750 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.968 0.673 13.450 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.670 0.343 13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.757 -1.860 15.543 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.450 -2.438 14.008 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.043 -3.266 14.717 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.459 -2.190 11.713 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.771 -1.623 11.722 1.00 0.00 C ATOM 1824 C ASP A 116 -10.852 -0.604 12.811 1.00 0.00 C ATOM 1825 O ASP A 116 -10.454 -0.847 13.949 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.875 -2.656 12.018 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.994 -3.640 10.860 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.049 -4.445 10.649 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.050 -3.604 10.172 1.00 0.00 O ATOM 0 H ASP A 116 -9.413 -3.113 12.145 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.931 -1.205 10.728 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.645 -3.192 12.939 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.827 -2.148 12.174 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.437 0.563 12.471 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.758 1.592 13.420 1.00 0.00 C ATOM 1836 C GLN A 117 -13.238 1.451 13.714 1.00 0.00 C ATOM 1837 O GLN A 117 -13.948 2.450 13.807 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.606 3.011 12.818 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.185 3.397 12.374 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.261 3.497 13.586 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.177 2.907 13.604 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.708 4.266 14.621 1.00 0.00 N ATOM 0 H GLN A 117 -11.694 0.798 11.512 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.099 1.485 14.281 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.271 3.094 11.958 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.946 3.737 13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.800 2.654 11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.208 4.350 11.846 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.612 4.733 14.556 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.138 4.374 15.460 1.00 0.00 H new ATOM 1851 N SER A 118 -13.753 0.203 13.841 1.00 0.00 N ATOM 1852 CA SER A 118 -15.152 -0.062 14.043 1.00 0.00 C ATOM 1853 C SER A 118 -15.341 -0.249 15.505 1.00 0.00 C ATOM 1854 O SER A 118 -16.383 0.085 16.067 1.00 0.00 O ATOM 1855 CB SER A 118 -15.632 -1.340 13.341 1.00 0.00 C ATOM 1856 OG SER A 118 -15.467 -1.213 11.937 1.00 0.00 O ATOM 0 H SER A 118 -13.181 -0.640 13.802 1.00 0.00 H new ATOM 0 HA SER A 118 -15.724 0.768 13.629 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.068 -2.199 13.706 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.680 -1.523 13.577 1.00 0.00 H new ATOM 0 HG SER A 118 -15.774 -2.033 11.496 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.281 -0.787 16.141 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.144 -0.870 17.563 1.00 0.00 C ATOM 1864 C ILE A 119 -13.807 0.461 18.107 1.00 0.00 C ATOM 1865 O ILE A 119 -14.197 0.814 19.220 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.029 -1.786 18.012 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.944 -2.017 16.932 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.703 -3.053 18.523 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.827 -2.957 17.388 1.00 0.00 C ATOM 0 H ILE A 119 -13.485 -1.181 15.640 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.097 -1.257 17.923 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.447 -1.331 18.813 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.413 -2.428 16.038 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.510 -1.057 16.652 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.944 -3.757 18.863 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.365 -2.804 19.353 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.284 -3.506 17.719 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.100 -3.076 16.584 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.333 -2.537 18.264 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.250 -3.929 17.641 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.035 1.221 17.311 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.467 2.464 17.710 1.00 0.00 C ATOM 1883 C PHE A 120 -13.239 3.534 17.021 1.00 0.00 C ATOM 1884 O PHE A 120 -12.676 4.516 16.540 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.018 2.565 17.239 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.194 1.388 17.665 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.370 0.701 18.865 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.156 1.003 16.835 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.454 -0.250 19.267 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.266 0.045 17.238 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.387 -0.568 18.460 1.00 0.00 C ATOM 0 H PHE A 120 -12.799 0.957 16.354 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.499 2.555 18.796 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.997 2.645 16.152 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.573 3.478 17.634 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.229 0.914 19.484 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.048 1.461 15.863 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.576 -0.746 20.219 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.454 -0.234 16.583 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.653 -1.291 18.784 1.00 0.00 H new