USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 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 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.091) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0) USER MOD Set 2.1: A 63 ASN : amide:sc= 0 X(o=-0.0034,f=-0.066) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 168:sc=-0.00345 (180deg=-0.201) USER MOD Set 3.1: A 52 SER OG : rot -93:sc= 0.823 USER MOD Set 3.2: A 61 ASN : amide:sc= -0.754 K(o=0.069,f=-3.1!) USER MOD Set 4.1: A 25 TYR OH : rot 11:sc= 0.349 USER MOD Set 4.2: A 47 HIS : no HE2:sc= -2.95! C(o=-2!,f=-9!) USER MOD Set 4.3: A 77 GLN : amide:sc=-0.00448 X(o=-2,f=-2.2) USER MOD Set 4.4: A 79 THR OG1 : rot 85:sc= 0.632 USER MOD Set 5.1: A 44 THR OG1 : rot 170:sc= 1.39 USER MOD Set 5.2: A 117 GLN : amide:sc= -0.392 K(o=0.99,f=-1.8!) USER MOD Set 6.1: A 13 HIS : no HE2:sc= -1.87 X(o=-2.5,f=-2.8) USER MOD Set 6.2: A 43 ASN : amide:sc= -0.634 K(o=-2.5,f=-4.6) USER MOD Set 7.1: A 6 TYR OH : rot -119:sc= 0.0626 USER MOD Set 7.2: A 50 LYS NZ :NH3+ -151:sc= 0.0642 (180deg=-0.0399) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -43:sc= 0.05 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.152 F(o=-0.91,f=-0.15) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 14 TYR OH : rot -14:sc= 0.464 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00464 (180deg=-0.0992) USER MOD Single : A 19 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 28 SER OG : rot 88:sc= 0.402 USER MOD Single : A 30 MET CE :methyl 167:sc= -2.25 (180deg=-2.88) USER MOD Single : A 36 THR OG1 : rot 27:sc= 1.02 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 0.269 (180deg=0.12) USER MOD Single : A 49 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc=-0.00667 (180deg=-0.185) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.372 F(o=-1,f=-0.37) USER MOD Single : A 68 ASN : amide:sc= 0.0548 X(o=0.055,f=-0.019) USER MOD Single : A 72 SER OG : rot 170:sc= 0.113 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot -1:sc= 0.188 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.1!) USER MOD Single : A 109 ASN : amide:sc= -0.0675 K(o=-0.068,f=-1.1) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -2.71! C(o=-3.4!,f=-2.7!) USER MOD Single : A 118 SER OG : rot 85:sc= 0.00563 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 3.772 -4.911 1.546 1.00 0.00 N ATOM 33 CA ASN A 3 4.479 -5.022 2.801 1.00 0.00 C ATOM 34 C ASN A 3 4.923 -3.676 3.299 1.00 0.00 C ATOM 35 O ASN A 3 5.478 -3.579 4.393 1.00 0.00 O ATOM 36 CB ASN A 3 5.667 -6.010 2.857 1.00 0.00 C ATOM 37 CG ASN A 3 5.204 -7.387 2.374 1.00 0.00 C ATOM 38 OD1 ASN A 3 4.187 -7.921 2.832 1.00 0.00 O ATOM 39 ND2 ASN A 3 5.988 -7.962 1.412 1.00 0.00 N ATOM 0 HA ASN A 3 3.726 -5.459 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.485 -5.649 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.050 -6.079 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.744 -8.878 1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.817 -7.475 1.071 1.00 0.00 H new ATOM 46 N SER A 4 4.660 -2.600 2.517 1.00 0.00 N ATOM 47 CA SER A 4 4.826 -1.248 2.972 1.00 0.00 C ATOM 48 C SER A 4 3.534 -0.813 3.581 1.00 0.00 C ATOM 49 O SER A 4 3.487 0.166 4.320 1.00 0.00 O ATOM 50 CB SER A 4 5.174 -0.251 1.858 1.00 0.00 C ATOM 51 OG SER A 4 6.328 -0.687 1.155 1.00 0.00 O ATOM 0 H SER A 4 4.327 -2.674 1.556 1.00 0.00 H new ATOM 0 HA SER A 4 5.660 -1.247 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.334 -0.155 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.350 0.736 2.285 1.00 0.00 H new ATOM 0 HG SER A 4 6.541 -0.045 0.446 1.00 0.00 H new ATOM 57 N ARG A 5 2.448 -1.556 3.272 1.00 0.00 N ATOM 58 CA ARG A 5 1.120 -1.323 3.757 1.00 0.00 C ATOM 59 C ARG A 5 1.029 -1.639 5.217 1.00 0.00 C ATOM 60 O ARG A 5 0.238 -1.018 5.934 1.00 0.00 O ATOM 61 CB ARG A 5 0.109 -2.243 3.055 1.00 0.00 C ATOM 62 CG ARG A 5 -0.001 -1.982 1.550 1.00 0.00 C ATOM 63 CD ARG A 5 -0.736 -3.092 0.793 1.00 0.00 C ATOM 64 NE ARG A 5 -2.123 -3.200 1.325 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.038 -3.995 0.698 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.703 -4.659 -0.446 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.290 -4.136 1.220 1.00 0.00 N ATOM 0 H ARG A 5 2.503 -2.362 2.650 1.00 0.00 H new ATOM 0 HA ARG A 5 0.896 -0.274 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.399 -3.281 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.871 -2.111 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.520 -1.037 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.000 -1.870 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.757 -2.871 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.212 -4.040 0.911 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.390 -2.678 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.765 -4.562 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.390 -5.252 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.542 -3.647 2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.974 -4.730 0.751 1.00 0.00 H new ATOM 81 N TYR A 6 1.854 -2.609 5.683 1.00 0.00 N ATOM 82 CA TYR A 6 1.982 -2.984 7.025 1.00 0.00 C ATOM 83 C TYR A 6 2.624 -1.857 7.728 1.00 0.00 C ATOM 84 O TYR A 6 2.133 -1.493 8.782 1.00 0.00 O ATOM 85 CB TYR A 6 2.920 -4.165 7.056 1.00 0.00 C ATOM 86 CG TYR A 6 3.347 -4.411 8.436 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.515 -5.071 9.293 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.632 -4.120 8.817 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.995 -5.535 10.486 1.00 0.00 C ATOM 90 CE2 TYR A 6 5.132 -4.608 9.997 1.00 0.00 C ATOM 91 CZ TYR A 6 4.310 -5.327 10.846 1.00 0.00 C ATOM 92 OH TYR A 6 4.813 -5.878 12.042 1.00 0.00 O ATOM 0 H TYR A 6 2.458 -3.150 5.064 1.00 0.00 H new ATOM 0 HA TYR A 6 1.024 -3.231 7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.424 -5.048 6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.787 -3.972 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.479 -5.226 9.029 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.253 -3.503 8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.337 -6.071 11.154 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.164 -4.432 10.263 1.00 0.00 H new ATOM 0 HH TYR A 6 5.117 -5.157 12.632 1.00 0.00 H new ATOM 102 N THR A 7 3.737 -1.296 7.191 1.00 0.00 N ATOM 103 CA THR A 7 4.445 -0.243 7.849 1.00 0.00 C ATOM 104 C THR A 7 3.795 1.115 7.767 1.00 0.00 C ATOM 105 O THR A 7 4.241 2.028 8.457 1.00 0.00 O ATOM 106 CB THR A 7 5.879 -0.056 7.440 1.00 0.00 C ATOM 107 OG1 THR A 7 5.974 0.804 6.314 1.00 0.00 O ATOM 108 CG2 THR A 7 6.584 -1.383 7.135 1.00 0.00 C ATOM 0 H THR A 7 4.141 -1.579 6.298 1.00 0.00 H new ATOM 0 HA THR A 7 4.409 -0.618 8.872 1.00 0.00 H new ATOM 0 HB THR A 7 6.385 0.399 8.292 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.279 0.570 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.616 -1.188 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.570 -2.015 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.068 -1.890 6.320 1.00 0.00 H new ATOM 116 N HIS A 8 2.742 1.297 6.938 1.00 0.00 N ATOM 117 CA HIS A 8 1.968 2.513 6.944 1.00 0.00 C ATOM 118 C HIS A 8 0.990 2.448 8.079 1.00 0.00 C ATOM 119 O HIS A 8 0.831 3.406 8.848 1.00 0.00 O ATOM 120 CB HIS A 8 1.208 2.751 5.632 1.00 0.00 C ATOM 121 CG HIS A 8 2.145 2.955 4.475 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.499 2.992 4.433 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 1.696 3.147 3.198 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 3.854 3.206 3.129 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 2.747 3.296 2.403 1.00 0.00 N flip ATOM 0 H HIS A 8 2.425 0.602 6.262 1.00 0.00 H new ATOM 0 HA HIS A 8 2.662 3.345 7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.558 1.900 5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.565 3.625 5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.661 3.173 2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.864 3.288 2.754 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.710 3.454 1.396 1.00 0.00 H new ATOM 134 N PHE A 9 0.361 1.256 8.211 1.00 0.00 N ATOM 135 CA PHE A 9 -0.472 0.859 9.322 1.00 0.00 C ATOM 136 C PHE A 9 0.305 0.938 10.608 1.00 0.00 C ATOM 137 O PHE A 9 -0.225 1.334 11.636 1.00 0.00 O ATOM 138 CB PHE A 9 -0.999 -0.582 9.096 1.00 0.00 C ATOM 139 CG PHE A 9 -1.466 -1.298 10.323 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.614 -0.871 10.962 1.00 0.00 C ATOM 141 CD2 PHE A 9 -0.855 -2.475 10.746 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.134 -1.589 12.015 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.433 -3.233 11.748 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.574 -2.785 12.391 1.00 0.00 C ATOM 0 H PHE A 9 0.438 0.527 7.502 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.322 1.538 9.390 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.824 -0.541 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.208 -1.171 8.632 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.107 0.032 10.633 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.071 -2.796 10.292 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.991 -1.208 12.551 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.993 -4.178 12.030 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.020 -3.371 13.181 1.00 0.00 H new ATOM 154 N LEU A 10 1.589 0.562 10.565 1.00 0.00 N ATOM 155 CA LEU A 10 2.484 0.547 11.671 1.00 0.00 C ATOM 156 C LEU A 10 3.027 1.899 12.018 1.00 0.00 C ATOM 157 O LEU A 10 3.356 2.125 13.177 1.00 0.00 O ATOM 158 CB LEU A 10 3.694 -0.316 11.335 1.00 0.00 C ATOM 159 CG LEU A 10 4.298 -0.988 12.547 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.092 -2.489 12.541 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.773 -0.682 12.669 1.00 0.00 C ATOM 0 H LEU A 10 2.030 0.248 9.701 1.00 0.00 H new ATOM 0 HA LEU A 10 1.905 0.166 12.512 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.400 -1.078 10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.452 0.303 10.855 1.00 0.00 H new ATOM 0 HG LEU A 10 3.773 -0.579 13.410 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.545 -2.922 13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.025 -2.710 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.558 -2.917 11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.176 -1.180 13.551 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.293 -1.039 11.780 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.915 0.395 12.764 1.00 0.00 H new ATOM 173 N THR A 11 3.177 2.832 11.049 1.00 0.00 N ATOM 174 CA THR A 11 3.811 4.082 11.377 1.00 0.00 C ATOM 175 C THR A 11 2.829 4.972 12.044 1.00 0.00 C ATOM 176 O THR A 11 3.193 5.749 12.922 1.00 0.00 O ATOM 177 CB THR A 11 4.575 4.790 10.271 1.00 0.00 C ATOM 178 OG1 THR A 11 5.368 5.827 10.828 1.00 0.00 O ATOM 179 CG2 THR A 11 3.668 5.385 9.179 1.00 0.00 C ATOM 0 H THR A 11 2.875 2.730 10.080 1.00 0.00 H new ATOM 0 HA THR A 11 4.619 3.816 12.059 1.00 0.00 H new ATOM 0 HB THR A 11 5.196 4.032 9.793 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.861 6.281 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.282 5.875 8.423 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.087 4.588 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.992 6.114 9.625 1.00 0.00 H new ATOM 187 N GLN A 12 1.550 4.854 11.655 1.00 0.00 N ATOM 188 CA GLN A 12 0.517 5.627 12.203 1.00 0.00 C ATOM 189 C GLN A 12 0.061 5.020 13.489 1.00 0.00 C ATOM 190 O GLN A 12 -0.122 5.758 14.453 1.00 0.00 O ATOM 191 CB GLN A 12 -0.513 5.675 11.072 1.00 0.00 C ATOM 192 CG GLN A 12 -1.908 6.037 11.506 1.00 0.00 C ATOM 193 CD GLN A 12 -2.787 6.245 10.278 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.901 5.367 9.414 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.428 7.452 10.217 1.00 0.00 N ATOM 0 H GLN A 12 1.240 4.198 10.938 1.00 0.00 H new ATOM 0 HA GLN A 12 0.782 6.643 12.498 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.180 6.397 10.326 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.541 4.701 10.583 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.322 5.247 12.132 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.888 6.944 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.295 8.138 10.960 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.039 7.666 9.428 1.00 0.00 H new ATOM 204 N HIS A 13 -0.141 3.692 13.558 1.00 0.00 N ATOM 205 CA HIS A 13 -0.734 3.115 14.717 1.00 0.00 C ATOM 206 C HIS A 13 0.285 2.611 15.689 1.00 0.00 C ATOM 207 O HIS A 13 0.146 2.880 16.875 1.00 0.00 O ATOM 208 CB HIS A 13 -1.703 2.001 14.341 1.00 0.00 C ATOM 209 CG HIS A 13 -2.782 2.534 13.442 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.966 3.006 13.933 1.00 0.00 N ATOM 211 CD2 HIS A 13 -2.817 2.700 12.098 1.00 0.00 C ATOM 212 CE1 HIS A 13 -4.716 3.401 12.915 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.043 3.224 11.788 1.00 0.00 N ATOM 0 H HIS A 13 0.103 3.029 12.822 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.289 3.912 15.211 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.166 1.196 13.839 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.147 1.576 15.241 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.228 3.047 14.918 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.026 2.463 11.402 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.716 3.803 12.992 1.00 0.00 H new ATOM 222 N TYR A 14 1.320 1.861 15.248 1.00 0.00 N ATOM 223 CA TYR A 14 2.249 1.270 16.184 1.00 0.00 C ATOM 224 C TYR A 14 3.110 2.317 16.815 1.00 0.00 C ATOM 225 O TYR A 14 3.869 3.012 16.139 1.00 0.00 O ATOM 226 CB TYR A 14 3.171 0.218 15.596 1.00 0.00 C ATOM 227 CG TYR A 14 3.832 -0.643 16.607 1.00 0.00 C ATOM 228 CD1 TYR A 14 3.166 -1.304 17.625 1.00 0.00 C ATOM 229 CD2 TYR A 14 5.174 -0.872 16.420 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.873 -2.091 18.513 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.875 -1.687 17.274 1.00 0.00 C ATOM 232 CZ TYR A 14 5.235 -2.253 18.355 1.00 0.00 C ATOM 233 OH TYR A 14 5.976 -3.017 19.278 1.00 0.00 O ATOM 0 H TYR A 14 1.515 1.664 14.266 1.00 0.00 H new ATOM 0 HA TYR A 14 1.607 0.776 16.913 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.598 -0.413 14.916 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.937 0.714 15.000 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.095 -1.204 17.725 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.684 -0.405 15.590 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.361 -2.579 19.329 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.923 -1.883 17.099 1.00 0.00 H new ATOM 0 HH TYR A 14 5.436 -3.174 20.080 1.00 0.00 H new ATOM 243 N ASP A 15 2.999 2.435 18.150 1.00 0.00 N ATOM 244 CA ASP A 15 3.872 3.271 18.903 1.00 0.00 C ATOM 245 C ASP A 15 4.092 2.409 20.088 1.00 0.00 C ATOM 246 O ASP A 15 3.230 2.342 20.954 1.00 0.00 O ATOM 247 CB ASP A 15 3.282 4.633 19.328 1.00 0.00 C ATOM 248 CG ASP A 15 4.364 5.349 20.127 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.450 5.617 19.545 1.00 0.00 O ATOM 250 OD2 ASP A 15 4.117 5.653 21.323 1.00 0.00 O ATOM 0 H ASP A 15 2.299 1.947 18.708 1.00 0.00 H new ATOM 0 HA ASP A 15 4.753 3.569 18.335 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.994 5.219 18.455 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.384 4.495 19.930 1.00 0.00 H new ATOM 255 N ALA A 16 5.239 1.700 20.092 1.00 0.00 N ATOM 256 CA ALA A 16 5.564 0.568 20.934 1.00 0.00 C ATOM 257 C ALA A 16 5.261 0.671 22.397 1.00 0.00 C ATOM 258 O ALA A 16 4.825 -0.312 22.992 1.00 0.00 O ATOM 259 CB ALA A 16 7.031 0.135 20.816 1.00 0.00 C ATOM 0 H ALA A 16 6.004 1.932 19.458 1.00 0.00 H new ATOM 0 HA ALA A 16 4.877 -0.170 20.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.213 -0.717 21.471 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.245 -0.147 19.785 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.679 0.961 21.108 1.00 0.00 H new ATOM 265 N LYS A 17 5.484 1.849 23.010 1.00 0.00 N ATOM 266 CA LYS A 17 5.015 2.092 24.348 1.00 0.00 C ATOM 267 C LYS A 17 4.570 3.527 24.410 1.00 0.00 C ATOM 268 O LYS A 17 5.171 4.352 23.725 1.00 0.00 O ATOM 269 CB LYS A 17 6.099 1.966 25.443 1.00 0.00 C ATOM 270 CG LYS A 17 6.642 0.545 25.656 1.00 0.00 C ATOM 271 CD LYS A 17 7.595 0.417 26.855 1.00 0.00 C ATOM 272 CE LYS A 17 8.893 1.225 26.729 1.00 0.00 C ATOM 273 NZ LYS A 17 9.666 0.799 25.541 1.00 0.00 N ATOM 0 H LYS A 17 5.985 2.630 22.586 1.00 0.00 H new ATOM 0 HA LYS A 17 4.242 1.348 24.539 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.931 2.622 25.187 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.686 2.326 26.385 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.803 -0.137 25.796 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.164 0.227 24.754 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.070 0.736 27.755 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.849 -0.634 26.990 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.659 2.287 26.654 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.497 1.094 27.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.605 1.247 25.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.775 -0.235 25.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.162 1.086 24.678 1.00 0.00 H new ATOM 287 N PRO A 18 3.575 3.881 25.219 1.00 0.00 N ATOM 288 CA PRO A 18 3.213 5.245 25.480 1.00 0.00 C ATOM 289 C PRO A 18 4.251 5.873 26.355 1.00 0.00 C ATOM 290 O PRO A 18 4.894 5.178 27.143 1.00 0.00 O ATOM 291 CB PRO A 18 1.902 5.154 26.280 1.00 0.00 C ATOM 292 CG PRO A 18 1.813 3.707 26.760 1.00 0.00 C ATOM 293 CD PRO A 18 2.508 2.993 25.621 1.00 0.00 C ATOM 0 HA PRO A 18 3.120 5.830 24.565 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.908 5.846 27.122 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.045 5.414 25.659 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.318 3.555 27.714 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.783 3.376 26.889 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.898 2.027 25.940 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.821 2.803 24.796 1.00 0.00 H new ATOM 301 N GLN A 19 4.378 7.212 26.242 1.00 0.00 N ATOM 302 CA GLN A 19 5.178 8.001 27.122 1.00 0.00 C ATOM 303 C GLN A 19 4.394 8.163 28.380 1.00 0.00 C ATOM 304 O GLN A 19 4.835 7.777 29.462 1.00 0.00 O ATOM 305 CB GLN A 19 5.482 9.387 26.527 1.00 0.00 C ATOM 306 CG GLN A 19 6.239 9.332 25.191 1.00 0.00 C ATOM 307 CD GLN A 19 7.564 8.592 25.379 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.752 7.485 24.859 1.00 0.00 O ATOM 309 NE2 GLN A 19 8.498 9.236 26.142 1.00 0.00 N ATOM 0 H GLN A 19 3.910 7.756 25.517 1.00 0.00 H new ATOM 0 HA GLN A 19 6.135 7.509 27.294 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.545 9.924 26.382 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.070 9.960 27.244 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.633 8.827 24.439 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.424 10.342 24.825 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.286 10.149 26.545 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.407 8.804 26.308 1.00 0.00 H new ATOM 318 N GLY A 20 3.184 8.725 28.228 1.00 0.00 N ATOM 319 CA GLY A 20 2.180 8.697 29.250 1.00 0.00 C ATOM 320 C GLY A 20 0.963 8.263 28.534 1.00 0.00 C ATOM 321 O GLY A 20 0.995 8.036 27.330 1.00 0.00 O ATOM 0 H GLY A 20 2.894 9.210 27.379 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.442 8.005 30.050 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.047 9.677 29.708 1.00 0.00 H new ATOM 325 N ARG A 21 -0.144 8.139 29.276 1.00 0.00 N ATOM 326 CA ARG A 21 -1.395 7.695 28.724 1.00 0.00 C ATOM 327 C ARG A 21 -2.364 8.785 29.027 1.00 0.00 C ATOM 328 O ARG A 21 -3.339 8.583 29.750 1.00 0.00 O ATOM 329 CB ARG A 21 -1.909 6.382 29.353 1.00 0.00 C ATOM 330 CG ARG A 21 -1.041 5.158 29.020 1.00 0.00 C ATOM 331 CD ARG A 21 -1.363 3.945 29.898 1.00 0.00 C ATOM 332 NE ARG A 21 -2.781 3.547 29.646 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.517 2.880 30.584 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.977 2.553 31.792 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.808 2.528 30.304 1.00 0.00 N ATOM 0 H ARG A 21 -0.180 8.348 30.274 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.274 7.492 27.660 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.954 6.501 30.436 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.927 6.199 29.010 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.184 4.891 27.973 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.010 5.420 29.141 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.690 3.119 29.667 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.218 4.189 30.950 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.211 3.779 28.751 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.012 2.806 32.005 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.538 2.055 32.483 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.216 2.763 29.399 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.363 2.030 31.000 1.00 0.00 H new ATOM 349 N ASP A 22 -2.083 9.989 28.487 1.00 0.00 N ATOM 350 CA ASP A 22 -2.824 11.161 28.843 1.00 0.00 C ATOM 351 C ASP A 22 -3.007 11.982 27.612 1.00 0.00 C ATOM 352 O ASP A 22 -2.507 11.641 26.541 1.00 0.00 O ATOM 353 CB ASP A 22 -2.161 12.001 29.960 1.00 0.00 C ATOM 354 CG ASP A 22 -0.819 12.589 29.527 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.125 11.813 29.226 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.720 13.845 29.523 1.00 0.00 O ATOM 0 H ASP A 22 -1.342 10.149 27.804 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.782 10.841 29.253 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.832 12.809 30.250 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.014 11.377 30.842 1.00 0.00 H new ATOM 361 N ASP A 23 -3.751 13.100 27.768 1.00 0.00 N ATOM 362 CA ASP A 23 -4.229 13.927 26.692 1.00 0.00 C ATOM 363 C ASP A 23 -3.127 14.695 26.036 1.00 0.00 C ATOM 364 O ASP A 23 -3.256 15.072 24.874 1.00 0.00 O ATOM 365 CB ASP A 23 -5.264 14.974 27.145 1.00 0.00 C ATOM 366 CG ASP A 23 -6.455 14.286 27.804 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.337 13.879 28.991 1.00 0.00 O ATOM 368 OD2 ASP A 23 -7.513 14.179 27.131 1.00 0.00 O ATOM 0 H ASP A 23 -4.032 13.443 28.686 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.685 13.218 26.001 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.804 15.671 27.845 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.600 15.558 26.288 1.00 0.00 H new ATOM 373 N ARG A 24 -2.019 14.939 26.770 1.00 0.00 N ATOM 374 CA ARG A 24 -0.888 15.657 26.260 1.00 0.00 C ATOM 375 C ARG A 24 0.027 14.724 25.530 1.00 0.00 C ATOM 376 O ARG A 24 0.828 15.177 24.715 1.00 0.00 O ATOM 377 CB ARG A 24 -0.048 16.352 27.350 1.00 0.00 C ATOM 378 CG ARG A 24 -0.862 17.248 28.301 1.00 0.00 C ATOM 379 CD ARG A 24 -1.595 18.411 27.623 1.00 0.00 C ATOM 380 NE ARG A 24 -0.583 19.301 26.987 1.00 0.00 N ATOM 381 CZ ARG A 24 -0.970 20.408 26.287 1.00 0.00 C ATOM 382 NH1 ARG A 24 -2.294 20.711 26.153 1.00 0.00 N ATOM 383 NH2 ARG A 24 -0.028 21.213 25.713 1.00 0.00 N ATOM 0 H ARG A 24 -1.909 14.631 27.736 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.305 16.423 25.606 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.465 15.591 27.937 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.721 16.956 26.869 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.594 16.630 28.821 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.191 17.653 29.059 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.292 18.034 26.874 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.182 18.967 28.354 1.00 0.00 H new ATOM 0 HE ARG A 24 0.409 19.081 27.075 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.000 20.109 26.577 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.577 21.539 25.629 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.962 20.987 25.808 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.315 22.040 25.190 1.00 0.00 H new ATOM 397 N TYR A 25 -0.073 13.397 25.796 1.00 0.00 N ATOM 398 CA TYR A 25 0.692 12.410 25.081 1.00 0.00 C ATOM 399 C TYR A 25 0.016 12.188 23.774 1.00 0.00 C ATOM 400 O TYR A 25 0.694 11.954 22.778 1.00 0.00 O ATOM 401 CB TYR A 25 0.811 11.051 25.818 1.00 0.00 C ATOM 402 CG TYR A 25 1.008 9.884 24.885 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.221 9.622 24.261 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.047 9.007 24.671 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.362 8.530 23.426 1.00 0.00 C ATOM 406 CE2 TYR A 25 0.096 7.918 23.839 1.00 0.00 C ATOM 407 CZ TYR A 25 1.297 7.680 23.213 1.00 0.00 C ATOM 408 OH TYR A 25 1.428 6.563 22.363 1.00 0.00 O ATOM 0 H TYR A 25 -0.688 13.009 26.511 1.00 0.00 H new ATOM 0 HA TYR A 25 1.708 12.790 24.976 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.648 11.095 26.515 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.089 10.886 26.410 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.062 10.278 24.430 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.992 9.181 25.163 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.308 8.342 22.939 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.737 7.250 23.678 1.00 0.00 H new ATOM 0 HH TYR A 25 2.373 6.430 22.141 1.00 0.00 H new ATOM 418 N CYS A 26 -1.333 12.238 23.755 1.00 0.00 N ATOM 419 CA CYS A 26 -2.115 11.871 22.631 1.00 0.00 C ATOM 420 C CYS A 26 -2.080 12.991 21.632 1.00 0.00 C ATOM 421 O CYS A 26 -2.081 12.768 20.420 1.00 0.00 O ATOM 422 CB CYS A 26 -3.529 11.684 23.170 1.00 0.00 C ATOM 423 SG CYS A 26 -4.345 10.141 22.685 1.00 0.00 S ATOM 0 H CYS A 26 -1.888 12.545 24.554 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.754 10.968 22.139 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.494 11.731 24.258 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.142 12.521 22.834 1.00 0.00 H new ATOM 428 N GLU A 27 -2.018 14.228 22.170 1.00 0.00 N ATOM 429 CA GLU A 27 -1.841 15.451 21.444 1.00 0.00 C ATOM 430 C GLU A 27 -0.493 15.463 20.799 1.00 0.00 C ATOM 431 O GLU A 27 -0.385 15.773 19.612 1.00 0.00 O ATOM 432 CB GLU A 27 -2.034 16.670 22.379 1.00 0.00 C ATOM 433 CG GLU A 27 -1.634 18.058 21.851 1.00 0.00 C ATOM 434 CD GLU A 27 -0.251 18.429 22.384 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.076 18.431 23.632 1.00 0.00 O ATOM 436 OE2 GLU A 27 0.649 18.718 21.554 1.00 0.00 O ATOM 0 H GLU A 27 -2.097 14.381 23.175 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.596 15.518 20.660 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.086 16.711 22.661 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.467 16.484 23.291 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.626 18.055 20.761 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.367 18.802 22.163 1.00 0.00 H new ATOM 443 N SER A 28 0.566 15.127 21.569 1.00 0.00 N ATOM 444 CA SER A 28 1.904 15.202 21.081 1.00 0.00 C ATOM 445 C SER A 28 2.256 14.100 20.137 1.00 0.00 C ATOM 446 O SER A 28 3.176 14.286 19.350 1.00 0.00 O ATOM 447 CB SER A 28 2.942 15.193 22.207 1.00 0.00 C ATOM 448 OG SER A 28 2.857 16.397 22.954 1.00 0.00 O ATOM 0 H SER A 28 0.488 14.803 22.533 1.00 0.00 H new ATOM 0 HA SER A 28 1.933 16.153 20.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.774 14.337 22.861 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.943 15.084 21.789 1.00 0.00 H new ATOM 0 HG SER A 28 2.201 16.290 23.674 1.00 0.00 H new ATOM 454 N ILE A 29 1.555 12.944 20.180 1.00 0.00 N ATOM 455 CA ILE A 29 1.840 11.876 19.261 1.00 0.00 C ATOM 456 C ILE A 29 1.069 12.052 17.993 1.00 0.00 C ATOM 457 O ILE A 29 1.505 11.582 16.947 1.00 0.00 O ATOM 458 CB ILE A 29 1.789 10.460 19.810 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.488 9.501 18.829 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.363 9.983 20.138 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.910 8.195 19.474 1.00 0.00 C ATOM 0 H ILE A 29 0.802 12.751 20.841 1.00 0.00 H new ATOM 0 HA ILE A 29 2.904 11.977 19.045 1.00 0.00 H new ATOM 0 HB ILE A 29 2.321 10.461 20.761 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.816 9.288 17.997 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.366 9.994 18.412 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.400 8.965 20.525 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.077 10.641 20.888 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.245 10.005 19.234 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.396 7.563 18.731 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.605 8.399 20.288 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.032 7.683 19.867 1.00 0.00 H new ATOM 473 N MET A 30 -0.078 12.761 18.021 1.00 0.00 N ATOM 474 CA MET A 30 -0.711 13.081 16.771 1.00 0.00 C ATOM 475 C MET A 30 0.058 14.158 16.059 1.00 0.00 C ATOM 476 O MET A 30 0.053 14.189 14.833 1.00 0.00 O ATOM 477 CB MET A 30 -2.176 13.507 16.888 1.00 0.00 C ATOM 478 CG MET A 30 -3.124 12.325 17.134 1.00 0.00 C ATOM 479 SD MET A 30 -3.867 11.745 15.583 1.00 0.00 S ATOM 480 CE MET A 30 -5.243 10.825 16.316 1.00 0.00 C ATOM 0 H MET A 30 -0.549 13.099 18.861 1.00 0.00 H new ATOM 0 HA MET A 30 -0.705 12.151 16.202 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.277 14.223 17.704 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.474 14.021 15.974 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.577 11.509 17.606 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.910 12.624 17.827 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.966 10.573 15.540 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.866 9.910 16.772 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.726 11.438 17.077 1.00 0.00 H new ATOM 490 N ARG A 31 0.751 15.053 16.800 1.00 0.00 N ATOM 491 CA ARG A 31 1.552 16.078 16.186 1.00 0.00 C ATOM 492 C ARG A 31 2.899 15.599 15.720 1.00 0.00 C ATOM 493 O ARG A 31 3.408 16.122 14.729 1.00 0.00 O ATOM 494 CB ARG A 31 1.760 17.306 17.084 1.00 0.00 C ATOM 495 CG ARG A 31 0.463 18.113 17.235 1.00 0.00 C ATOM 496 CD ARG A 31 0.586 19.323 18.158 1.00 0.00 C ATOM 497 NE ARG A 31 1.554 20.287 17.564 1.00 0.00 N ATOM 498 CZ ARG A 31 1.846 21.453 18.211 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.251 21.745 19.405 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.736 22.331 17.663 1.00 0.00 N ATOM 0 H ARG A 31 0.757 15.067 17.820 1.00 0.00 H new ATOM 0 HA ARG A 31 0.963 16.365 15.315 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.108 16.986 18.066 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.539 17.941 16.661 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.142 18.452 16.250 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.319 17.456 17.617 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.386 19.798 18.289 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.924 19.010 19.146 1.00 0.00 H new ATOM 0 HE ARG A 31 2.000 20.075 16.671 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.586 21.091 19.817 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.472 22.617 19.885 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.182 22.115 16.771 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.955 23.203 18.145 1.00 0.00 H new ATOM 514 N ARG A 32 3.515 14.617 16.417 1.00 0.00 N ATOM 515 CA ARG A 32 4.847 14.175 16.086 1.00 0.00 C ATOM 516 C ARG A 32 4.820 13.169 14.987 1.00 0.00 C ATOM 517 O ARG A 32 5.751 13.124 14.181 1.00 0.00 O ATOM 518 CB ARG A 32 5.612 13.509 17.249 1.00 0.00 C ATOM 519 CG ARG A 32 6.230 14.495 18.257 1.00 0.00 C ATOM 520 CD ARG A 32 7.303 15.425 17.674 1.00 0.00 C ATOM 521 NE ARG A 32 8.371 14.586 17.055 1.00 0.00 N ATOM 522 CZ ARG A 32 9.300 15.135 16.219 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.296 16.476 15.967 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.238 14.336 15.631 1.00 0.00 N ATOM 0 H ARG A 32 3.094 14.129 17.208 1.00 0.00 H new ATOM 0 HA ARG A 32 5.360 15.095 15.804 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.931 12.845 17.781 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.406 12.887 16.835 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.433 15.105 18.682 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.669 13.927 19.077 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.864 16.090 16.930 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.723 16.056 18.457 1.00 0.00 H new ATOM 0 HE ARG A 32 8.407 13.587 17.260 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.596 17.075 16.404 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.993 16.879 15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.243 13.333 15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.934 14.742 15.006 1.00 0.00 H new ATOM 538 N ARG A 33 3.759 12.335 14.929 1.00 0.00 N ATOM 539 CA ARG A 33 3.642 11.326 13.912 1.00 0.00 C ATOM 540 C ARG A 33 3.138 11.927 12.628 1.00 0.00 C ATOM 541 O ARG A 33 3.326 11.347 11.560 1.00 0.00 O ATOM 542 CB ARG A 33 2.723 10.170 14.351 1.00 0.00 C ATOM 543 CG ARG A 33 3.188 8.759 13.961 1.00 0.00 C ATOM 544 CD ARG A 33 4.582 8.362 14.483 1.00 0.00 C ATOM 545 NE ARG A 33 4.682 8.665 15.942 1.00 0.00 N ATOM 546 CZ ARG A 33 5.889 8.596 16.578 1.00 0.00 C ATOM 547 NH1 ARG A 33 7.000 8.177 15.904 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.990 8.949 17.893 1.00 0.00 N ATOM 0 H ARG A 33 2.981 12.359 15.588 1.00 0.00 H new ATOM 0 HA ARG A 33 4.638 10.915 13.749 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.614 10.209 15.435 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.733 10.336 13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.460 8.038 14.332 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.189 8.681 12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.756 7.300 14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.353 8.904 13.936 1.00 0.00 H new ATOM 0 HE ARG A 33 3.846 8.924 16.466 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.931 7.914 14.921 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.899 8.127 16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.164 9.265 18.401 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.892 8.897 18.367 1.00 0.00 H new ATOM 562 N GLY A 34 2.513 13.126 12.710 1.00 0.00 N ATOM 563 CA GLY A 34 2.240 13.933 11.553 1.00 0.00 C ATOM 564 C GLY A 34 0.889 13.601 11.023 1.00 0.00 C ATOM 565 O GLY A 34 0.718 13.399 9.822 1.00 0.00 O ATOM 0 H GLY A 34 2.195 13.537 13.588 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.290 14.990 11.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.996 13.757 10.787 1.00 0.00 H new ATOM 569 N LEU A 35 -0.101 13.548 11.935 1.00 0.00 N ATOM 570 CA LEU A 35 -1.462 13.241 11.607 1.00 0.00 C ATOM 571 C LEU A 35 -2.287 14.389 12.080 1.00 0.00 C ATOM 572 O LEU A 35 -3.509 14.296 12.183 1.00 0.00 O ATOM 573 CB LEU A 35 -2.021 12.046 12.390 1.00 0.00 C ATOM 574 CG LEU A 35 -1.195 10.741 12.337 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.855 9.642 13.188 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.968 10.248 10.897 1.00 0.00 C ATOM 0 H LEU A 35 0.049 13.724 12.929 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.494 13.033 10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.126 12.341 13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.022 11.832 12.017 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.215 10.969 12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.256 8.733 13.136 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.921 9.974 14.224 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.856 9.440 12.808 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.383 9.329 10.915 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.930 10.056 10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.430 11.009 10.332 1.00 0.00 H new ATOM 588 N THR A 36 -1.605 15.508 12.396 1.00 0.00 N ATOM 589 CA THR A 36 -2.218 16.681 12.956 1.00 0.00 C ATOM 590 C THR A 36 -2.633 17.584 11.838 1.00 0.00 C ATOM 591 O THR A 36 -3.343 18.565 12.044 1.00 0.00 O ATOM 592 CB THR A 36 -1.298 17.410 13.915 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.942 18.517 14.524 1.00 0.00 O ATOM 594 CG2 THR A 36 0.005 17.883 13.236 1.00 0.00 C ATOM 0 H THR A 36 -0.599 15.602 12.259 1.00 0.00 H new ATOM 0 HA THR A 36 -3.088 16.372 13.536 1.00 0.00 H new ATOM 0 HB THR A 36 -1.038 16.684 14.685 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.909 18.359 14.550 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.629 18.399 13.966 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.544 17.021 12.843 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.237 18.563 12.419 1.00 0.00 H new ATOM 602 N SER A 37 -2.192 17.253 10.610 1.00 0.00 N ATOM 603 CA SER A 37 -2.409 18.071 9.463 1.00 0.00 C ATOM 604 C SER A 37 -3.138 17.267 8.427 1.00 0.00 C ATOM 605 O SER A 37 -2.478 16.492 7.736 1.00 0.00 O ATOM 606 CB SER A 37 -1.058 18.451 8.853 1.00 0.00 C ATOM 607 OG SER A 37 -0.419 19.440 9.645 1.00 0.00 O ATOM 0 H SER A 37 -1.673 16.397 10.413 1.00 0.00 H new ATOM 0 HA SER A 37 -2.974 18.956 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.423 17.568 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.202 18.825 7.839 1.00 0.00 H new ATOM 0 HG SER A 37 0.445 19.672 9.244 1.00 0.00 H new ATOM 613 N PRO A 38 -4.443 17.385 8.211 1.00 0.00 N ATOM 614 CA PRO A 38 -5.450 17.909 9.103 1.00 0.00 C ATOM 615 C PRO A 38 -5.693 16.867 10.162 1.00 0.00 C ATOM 616 O PRO A 38 -5.242 15.732 9.996 1.00 0.00 O ATOM 617 CB PRO A 38 -6.687 18.053 8.216 1.00 0.00 C ATOM 618 CG PRO A 38 -6.525 16.973 7.143 1.00 0.00 C ATOM 619 CD PRO A 38 -5.009 16.871 6.977 1.00 0.00 C ATOM 0 HA PRO A 38 -5.183 18.849 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.603 17.908 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.742 19.047 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.960 16.024 7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.014 17.255 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.702 15.839 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.669 17.451 6.119 1.00 0.00 H new ATOM 627 N CYS A 39 -6.389 17.257 11.262 1.00 0.00 N ATOM 628 CA CYS A 39 -6.601 16.439 12.414 1.00 0.00 C ATOM 629 C CYS A 39 -7.329 15.184 12.053 1.00 0.00 C ATOM 630 O CYS A 39 -8.428 15.223 11.501 1.00 0.00 O ATOM 631 CB CYS A 39 -7.466 17.147 13.469 1.00 0.00 C ATOM 632 SG CYS A 39 -6.918 18.829 13.883 1.00 0.00 S ATOM 0 H CYS A 39 -6.817 18.180 11.342 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.609 16.226 12.812 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.494 17.191 13.108 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.473 16.546 14.378 1.00 0.00 H new ATOM 637 N LYS A 40 -6.681 14.042 12.367 1.00 0.00 N ATOM 638 CA LYS A 40 -7.214 12.736 12.127 1.00 0.00 C ATOM 639 C LYS A 40 -8.257 12.535 13.171 1.00 0.00 C ATOM 640 O LYS A 40 -8.025 12.839 14.338 1.00 0.00 O ATOM 641 CB LYS A 40 -6.136 11.639 12.256 1.00 0.00 C ATOM 642 CG LYS A 40 -6.581 10.217 11.874 1.00 0.00 C ATOM 643 CD LYS A 40 -6.936 10.059 10.389 1.00 0.00 C ATOM 644 CE LYS A 40 -7.340 8.631 10.014 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.616 8.266 10.669 1.00 0.00 N ATOM 0 H LYS A 40 -5.758 14.030 12.801 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.609 12.665 11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.287 11.914 11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.781 11.624 13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.784 9.517 12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.447 9.943 12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.753 10.737 10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.080 10.358 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.443 8.548 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.557 7.934 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.014 7.423 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.444 8.062 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.287 9.056 10.586 1.00 0.00 H new ATOM 659 N ASP A 41 -9.436 12.037 12.732 1.00 0.00 N ATOM 660 CA ASP A 41 -10.630 11.973 13.527 1.00 0.00 C ATOM 661 C ASP A 41 -10.523 10.960 14.615 1.00 0.00 C ATOM 662 O ASP A 41 -10.986 11.204 15.726 1.00 0.00 O ATOM 663 CB ASP A 41 -11.871 11.611 12.699 1.00 0.00 C ATOM 664 CG ASP A 41 -12.014 12.652 11.599 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.199 13.851 11.938 1.00 0.00 O ATOM 666 OD2 ASP A 41 -11.939 12.260 10.404 1.00 0.00 O ATOM 0 H ASP A 41 -9.560 11.666 11.790 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.739 12.974 13.944 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.767 10.614 12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.760 11.596 13.329 1.00 0.00 H new ATOM 671 N ILE A 42 -9.926 9.793 14.321 1.00 0.00 N ATOM 672 CA ILE A 42 -9.717 8.814 15.342 1.00 0.00 C ATOM 673 C ILE A 42 -8.516 8.051 14.892 1.00 0.00 C ATOM 674 O ILE A 42 -8.441 7.612 13.745 1.00 0.00 O ATOM 675 CB ILE A 42 -10.952 7.951 15.626 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.764 7.001 16.838 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.498 7.259 14.356 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.255 5.595 16.509 1.00 0.00 C ATOM 0 H ILE A 42 -9.593 9.529 13.394 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.545 9.271 16.316 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.742 8.635 15.936 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.067 7.466 17.535 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.719 6.910 17.356 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.372 6.661 14.615 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.779 8.015 13.622 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.728 6.613 13.934 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.161 5.018 17.429 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.960 5.100 15.841 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.282 5.665 16.023 1.00 0.00 H new ATOM 690 N ASN A 43 -7.536 7.878 15.802 1.00 0.00 N ATOM 691 CA ASN A 43 -6.426 7.023 15.491 1.00 0.00 C ATOM 692 C ASN A 43 -6.013 6.350 16.750 1.00 0.00 C ATOM 693 O ASN A 43 -5.792 6.994 17.774 1.00 0.00 O ATOM 694 CB ASN A 43 -5.201 7.736 14.899 1.00 0.00 C ATOM 695 CG ASN A 43 -4.351 6.712 14.158 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.737 6.257 13.076 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.172 6.365 14.759 1.00 0.00 N ATOM 0 H ASN A 43 -7.509 8.314 16.724 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.769 6.333 14.720 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.516 8.528 14.220 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.619 8.208 15.691 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.550 5.691 14.312 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.914 6.780 15.654 1.00 0.00 H new ATOM 704 N THR A 44 -5.904 5.012 16.671 1.00 0.00 N ATOM 705 CA THR A 44 -5.589 4.185 17.793 1.00 0.00 C ATOM 706 C THR A 44 -4.124 3.909 17.776 1.00 0.00 C ATOM 707 O THR A 44 -3.644 3.198 16.897 1.00 0.00 O ATOM 708 CB THR A 44 -6.348 2.892 17.702 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.720 3.212 17.567 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.145 2.040 18.964 1.00 0.00 C ATOM 0 H THR A 44 -6.039 4.492 15.804 1.00 0.00 H new ATOM 0 HA THR A 44 -5.866 4.689 18.719 1.00 0.00 H new ATOM 0 HB THR A 44 -5.988 2.315 16.850 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.224 2.402 17.343 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.706 1.110 18.870 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.085 1.814 19.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.499 2.591 19.836 1.00 0.00 H new ATOM 718 N PHE A 45 -3.383 4.451 18.766 1.00 0.00 N ATOM 719 CA PHE A 45 -1.988 4.136 18.882 1.00 0.00 C ATOM 720 C PHE A 45 -1.882 2.890 19.705 1.00 0.00 C ATOM 721 O PHE A 45 -2.168 2.898 20.899 1.00 0.00 O ATOM 722 CB PHE A 45 -1.093 5.232 19.496 1.00 0.00 C ATOM 723 CG PHE A 45 -1.051 6.404 18.564 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.020 7.383 18.681 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.070 6.548 17.592 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.049 8.456 17.811 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.066 7.652 16.763 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.065 8.593 16.852 1.00 0.00 C ATOM 0 H PHE A 45 -3.741 5.094 19.472 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.611 4.021 17.866 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.483 5.537 20.467 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.087 4.847 19.663 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.763 7.308 19.461 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.694 5.792 17.484 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.841 9.187 17.881 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.727 7.777 16.040 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.080 9.435 16.175 1.00 0.00 H new ATOM 738 N ILE A 46 -1.469 1.782 19.051 1.00 0.00 N ATOM 739 CA ILE A 46 -1.363 0.486 19.651 1.00 0.00 C ATOM 740 C ILE A 46 0.026 0.387 20.172 1.00 0.00 C ATOM 741 O ILE A 46 0.954 0.989 19.645 1.00 0.00 O ATOM 742 CB ILE A 46 -1.571 -0.630 18.643 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.915 -0.422 17.909 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.444 -2.023 19.299 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.249 -1.534 16.917 1.00 0.00 C ATOM 0 H ILE A 46 -1.199 1.792 18.067 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.125 0.377 20.423 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.779 -0.591 17.896 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.715 -0.352 18.646 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.886 0.530 17.379 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.599 -2.795 18.546 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.449 -2.132 19.731 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.194 -2.125 20.084 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.206 -1.321 16.440 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.469 -1.590 16.157 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.311 -2.486 17.445 1.00 0.00 H new ATOM 757 N HIS A 47 0.162 -0.397 21.248 1.00 0.00 N ATOM 758 CA HIS A 47 1.371 -0.561 22.004 1.00 0.00 C ATOM 759 C HIS A 47 1.454 -1.986 22.434 1.00 0.00 C ATOM 760 O HIS A 47 0.483 -2.550 22.934 1.00 0.00 O ATOM 761 CB HIS A 47 1.388 0.201 23.335 1.00 0.00 C ATOM 762 CG HIS A 47 0.616 1.475 23.334 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.896 2.537 22.510 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.376 1.895 24.163 1.00 0.00 C ATOM 765 CE1 HIS A 47 0.073 3.541 22.872 1.00 0.00 C ATOM 766 NE2 HIS A 47 -0.719 3.204 23.871 1.00 0.00 N ATOM 0 H HIS A 47 -0.611 -0.951 21.617 1.00 0.00 H new ATOM 0 HA HIS A 47 2.171 -0.205 21.355 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.990 -0.448 24.115 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.423 0.419 23.600 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.593 2.561 21.766 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.831 1.295 24.937 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.063 4.511 22.398 1.00 0.00 H new ATOM 774 N GLY A 48 2.645 -2.592 22.302 1.00 0.00 N ATOM 775 CA GLY A 48 2.821 -3.912 22.825 1.00 0.00 C ATOM 776 C GLY A 48 3.995 -4.487 22.127 1.00 0.00 C ATOM 777 O GLY A 48 5.008 -3.812 21.955 1.00 0.00 O ATOM 0 H GLY A 48 3.464 -2.186 21.849 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.985 -3.884 23.902 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.932 -4.519 22.654 1.00 0.00 H new ATOM 781 N ASN A 49 3.865 -5.763 21.714 1.00 0.00 N ATOM 782 CA ASN A 49 4.865 -6.402 20.916 1.00 0.00 C ATOM 783 C ASN A 49 4.435 -6.290 19.496 1.00 0.00 C ATOM 784 O ASN A 49 3.252 -6.348 19.162 1.00 0.00 O ATOM 785 CB ASN A 49 5.066 -7.890 21.228 1.00 0.00 C ATOM 786 CG ASN A 49 6.370 -8.046 22.004 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.498 -7.599 23.150 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.363 -8.703 21.329 1.00 0.00 N ATOM 0 H ASN A 49 3.063 -6.353 21.935 1.00 0.00 H new ATOM 0 HA ASN A 49 5.812 -5.907 21.129 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.229 -8.272 21.812 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.102 -8.470 20.306 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.271 -8.847 21.771 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.195 -9.049 20.384 1.00 0.00 H new ATOM 795 N LYS A 50 5.441 -6.145 18.617 1.00 0.00 N ATOM 796 CA LYS A 50 5.239 -5.981 17.212 1.00 0.00 C ATOM 797 C LYS A 50 5.154 -7.349 16.606 1.00 0.00 C ATOM 798 O LYS A 50 4.593 -7.543 15.529 1.00 0.00 O ATOM 799 CB LYS A 50 6.476 -5.290 16.604 1.00 0.00 C ATOM 800 CG LYS A 50 6.425 -4.927 15.117 1.00 0.00 C ATOM 801 CD LYS A 50 7.690 -4.154 14.716 1.00 0.00 C ATOM 802 CE LYS A 50 7.777 -3.829 13.226 1.00 0.00 C ATOM 803 NZ LYS A 50 7.963 -5.062 12.432 1.00 0.00 N ATOM 0 H LYS A 50 6.423 -6.142 18.891 1.00 0.00 H new ATOM 0 HA LYS A 50 4.340 -5.394 17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.661 -4.375 17.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.336 -5.941 16.762 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.338 -5.833 14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.541 -4.323 14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.729 -3.224 15.283 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.565 -4.738 15.001 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.869 -3.318 12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.607 -3.146 13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.490 -4.839 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.496 -5.758 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.034 -5.457 12.182 1.00 0.00 H new ATOM 817 N ARG A 51 5.719 -8.341 17.327 1.00 0.00 N ATOM 818 CA ARG A 51 5.706 -9.725 16.955 1.00 0.00 C ATOM 819 C ARG A 51 4.364 -10.270 17.328 1.00 0.00 C ATOM 820 O ARG A 51 3.900 -11.247 16.740 1.00 0.00 O ATOM 821 CB ARG A 51 6.765 -10.568 17.696 1.00 0.00 C ATOM 822 CG ARG A 51 8.220 -10.364 17.227 1.00 0.00 C ATOM 823 CD ARG A 51 8.809 -8.971 17.482 1.00 0.00 C ATOM 824 NE ARG A 51 10.238 -8.984 17.066 1.00 0.00 N ATOM 825 CZ ARG A 51 10.944 -7.819 16.980 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.349 -6.627 17.281 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.253 -7.845 16.593 1.00 0.00 N ATOM 0 H ARG A 51 6.205 -8.169 18.207 1.00 0.00 H new ATOM 0 HA ARG A 51 5.924 -9.784 15.889 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.709 -10.338 18.760 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.509 -11.622 17.584 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.850 -11.102 17.724 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.271 -10.570 16.158 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.257 -8.217 16.921 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.723 -8.710 18.537 1.00 0.00 H new ATOM 0 HE ARG A 51 10.693 -9.870 16.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.372 -6.604 17.572 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.882 -5.760 17.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.701 -8.734 16.369 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.783 -6.976 16.528 1.00 0.00 H new ATOM 841 N SER A 52 3.714 -9.622 18.320 1.00 0.00 N ATOM 842 CA SER A 52 2.369 -9.911 18.704 1.00 0.00 C ATOM 843 C SER A 52 1.421 -9.332 17.699 1.00 0.00 C ATOM 844 O SER A 52 0.411 -9.979 17.441 1.00 0.00 O ATOM 845 CB SER A 52 2.021 -9.469 20.135 1.00 0.00 C ATOM 846 OG SER A 52 0.722 -9.912 20.495 1.00 0.00 O ATOM 0 H SER A 52 4.142 -8.876 18.868 1.00 0.00 H new ATOM 0 HA SER A 52 2.267 -10.996 18.715 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.754 -9.871 20.834 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.073 -8.383 20.208 1.00 0.00 H new ATOM 0 HG SER A 52 0.068 -9.212 20.287 1.00 0.00 H new ATOM 852 N ILE A 53 1.729 -8.138 17.103 1.00 0.00 N ATOM 853 CA ILE A 53 1.011 -7.559 15.968 1.00 0.00 C ATOM 854 C ILE A 53 0.922 -8.561 14.840 1.00 0.00 C ATOM 855 O ILE A 53 -0.176 -8.827 14.345 1.00 0.00 O ATOM 856 CB ILE A 53 1.579 -6.202 15.493 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.692 -5.002 15.894 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.849 -6.081 13.974 1.00 0.00 C ATOM 859 CD1 ILE A 53 0.509 -4.835 17.393 1.00 0.00 C ATOM 0 H ILE A 53 2.503 -7.555 17.421 1.00 0.00 H new ATOM 0 HA ILE A 53 0.004 -7.331 16.318 1.00 0.00 H new ATOM 0 HB ILE A 53 2.537 -6.173 16.011 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.130 -4.090 15.489 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.288 -5.118 15.431 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.245 -5.090 13.753 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.574 -6.837 13.672 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.919 -6.231 13.426 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.126 -3.971 17.588 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.041 -5.729 17.804 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.481 -4.685 17.864 1.00 0.00 H new ATOM 871 N LYS A 54 2.076 -9.153 14.438 1.00 0.00 N ATOM 872 CA LYS A 54 2.170 -10.079 13.334 1.00 0.00 C ATOM 873 C LYS A 54 1.399 -11.332 13.614 1.00 0.00 C ATOM 874 O LYS A 54 0.719 -11.865 12.735 1.00 0.00 O ATOM 875 CB LYS A 54 3.614 -10.524 13.048 1.00 0.00 C ATOM 876 CG LYS A 54 4.524 -9.378 12.595 1.00 0.00 C ATOM 877 CD LYS A 54 6.006 -9.769 12.594 1.00 0.00 C ATOM 878 CE LYS A 54 6.931 -8.578 12.330 1.00 0.00 C ATOM 879 NZ LYS A 54 8.345 -8.994 12.421 1.00 0.00 N ATOM 0 H LYS A 54 2.971 -8.981 14.896 1.00 0.00 H new ATOM 0 HA LYS A 54 1.768 -9.537 12.478 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.032 -10.977 13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.603 -11.296 12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.234 -9.063 11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.378 -8.521 13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.260 -10.215 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.176 -10.531 11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.730 -8.165 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.731 -7.787 13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.960 -8.175 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.537 -9.367 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.535 -9.733 11.715 1.00 0.00 H new ATOM 893 N ALA A 55 1.473 -11.808 14.877 1.00 0.00 N ATOM 894 CA ALA A 55 0.839 -13.020 15.301 1.00 0.00 C ATOM 895 C ALA A 55 -0.629 -12.870 15.588 1.00 0.00 C ATOM 896 O ALA A 55 -1.226 -13.808 16.110 1.00 0.00 O ATOM 897 CB ALA A 55 1.484 -13.599 16.570 1.00 0.00 C ATOM 0 H ALA A 55 1.988 -11.335 15.620 1.00 0.00 H new ATOM 0 HA ALA A 55 0.973 -13.691 14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.970 -14.517 16.853 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.535 -13.816 16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.406 -12.875 17.381 1.00 0.00 H new ATOM 903 N ILE A 56 -1.271 -11.725 15.232 1.00 0.00 N ATOM 904 CA ILE A 56 -2.708 -11.636 15.290 1.00 0.00 C ATOM 905 C ILE A 56 -3.250 -12.301 14.059 1.00 0.00 C ATOM 906 O ILE A 56 -4.371 -12.809 14.075 1.00 0.00 O ATOM 907 CB ILE A 56 -3.248 -10.219 15.439 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.673 -9.523 16.693 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.788 -10.220 15.519 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.655 -10.393 17.955 1.00 0.00 C ATOM 0 H ILE A 56 -0.802 -10.878 14.910 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.043 -12.141 16.196 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.934 -9.664 14.555 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.655 -9.198 16.477 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.258 -8.626 16.895 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.147 -9.196 15.625 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.199 -10.657 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.107 -10.808 16.380 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.236 -9.823 18.784 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.672 -10.697 18.202 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.044 -11.278 17.778 1.00 0.00 H new ATOM 922 N CYS A 57 -2.443 -12.361 12.972 1.00 0.00 N ATOM 923 CA CYS A 57 -2.869 -13.023 11.769 1.00 0.00 C ATOM 924 C CYS A 57 -2.737 -14.508 11.898 1.00 0.00 C ATOM 925 O CYS A 57 -3.434 -15.250 11.207 1.00 0.00 O ATOM 926 CB CYS A 57 -2.090 -12.582 10.530 1.00 0.00 C ATOM 927 SG CYS A 57 -2.067 -10.778 10.395 1.00 0.00 S ATOM 0 H CYS A 57 -1.508 -11.956 12.928 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.913 -12.739 11.638 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.069 -12.960 10.583 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.544 -13.012 9.637 1.00 0.00 H new ATOM 932 N GLU A 58 -1.846 -14.965 12.805 1.00 0.00 N ATOM 933 CA GLU A 58 -1.814 -16.337 13.219 1.00 0.00 C ATOM 934 C GLU A 58 -2.980 -16.546 14.124 1.00 0.00 C ATOM 935 O GLU A 58 -3.332 -15.673 14.917 1.00 0.00 O ATOM 936 CB GLU A 58 -0.569 -16.708 14.043 1.00 0.00 C ATOM 937 CG GLU A 58 0.735 -16.578 13.254 1.00 0.00 C ATOM 938 CD GLU A 58 1.888 -16.886 14.197 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.919 -18.017 14.749 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.757 -15.991 14.378 1.00 0.00 O ATOM 0 H GLU A 58 -1.143 -14.377 13.253 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.819 -16.946 12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.519 -16.067 14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.670 -17.733 14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.739 -17.267 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.835 -15.572 12.846 1.00 0.00 H new ATOM 947 N ASN A 59 -3.591 -17.746 14.037 1.00 0.00 N ATOM 948 CA ASN A 59 -4.747 -18.076 14.822 1.00 0.00 C ATOM 949 C ASN A 59 -4.345 -18.879 16.026 1.00 0.00 C ATOM 950 O ASN A 59 -5.158 -19.620 16.578 1.00 0.00 O ATOM 951 CB ASN A 59 -5.803 -18.856 14.024 1.00 0.00 C ATOM 952 CG ASN A 59 -6.271 -17.957 12.881 1.00 0.00 C ATOM 953 OD1 ASN A 59 -6.839 -16.883 13.116 1.00 0.00 O ATOM 954 ND2 ASN A 59 -6.018 -18.416 11.619 1.00 0.00 N ATOM 0 H ASN A 59 -3.281 -18.494 13.417 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.195 -17.131 15.130 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.382 -19.783 13.635 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.642 -19.131 14.664 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.302 -17.864 10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.546 -19.310 11.487 1.00 0.00 H new ATOM 961 N LYS A 60 -3.082 -18.719 16.476 1.00 0.00 N ATOM 962 CA LYS A 60 -2.634 -19.243 17.730 1.00 0.00 C ATOM 963 C LYS A 60 -2.892 -18.145 18.711 1.00 0.00 C ATOM 964 O LYS A 60 -3.454 -18.366 19.784 1.00 0.00 O ATOM 965 CB LYS A 60 -1.133 -19.613 17.709 1.00 0.00 C ATOM 966 CG LYS A 60 -0.711 -20.756 18.655 1.00 0.00 C ATOM 967 CD LYS A 60 -0.666 -20.410 20.152 1.00 0.00 C ATOM 968 CE LYS A 60 -0.166 -21.564 21.029 1.00 0.00 C ATOM 969 NZ LYS A 60 1.238 -21.899 20.709 1.00 0.00 N ATOM 0 H LYS A 60 -2.361 -18.216 15.958 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.155 -20.167 17.981 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.860 -19.890 16.691 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.555 -18.724 17.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.400 -21.589 18.516 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.277 -21.105 18.353 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.018 -19.545 20.298 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.664 -20.120 20.480 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.248 -21.289 22.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.797 -22.440 20.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.624 -22.520 21.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.278 -22.387 19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.801 -21.026 20.661 1.00 0.00 H new ATOM 983 N ASN A 61 -2.470 -16.926 18.327 1.00 0.00 N ATOM 984 CA ASN A 61 -2.548 -15.754 19.153 1.00 0.00 C ATOM 985 C ASN A 61 -3.526 -14.817 18.505 1.00 0.00 C ATOM 986 O ASN A 61 -3.268 -13.635 18.293 1.00 0.00 O ATOM 987 CB ASN A 61 -1.159 -15.112 19.332 1.00 0.00 C ATOM 988 CG ASN A 61 -1.217 -13.999 20.376 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.687 -14.207 21.500 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.715 -12.794 19.966 1.00 0.00 N ATOM 0 H ASN A 61 -2.060 -16.747 17.410 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.891 -16.007 20.156 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.438 -15.870 19.639 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.812 -14.709 18.380 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.714 -11.998 20.604 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.342 -12.692 19.022 1.00 0.00 H new ATOM 997 N GLY A 62 -4.715 -15.348 18.188 1.00 0.00 N ATOM 998 CA GLY A 62 -5.777 -14.557 17.658 1.00 0.00 C ATOM 999 C GLY A 62 -6.812 -15.564 17.312 1.00 0.00 C ATOM 1000 O GLY A 62 -6.568 -16.765 17.411 1.00 0.00 O ATOM 0 H GLY A 62 -4.943 -16.336 18.300 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.145 -13.836 18.388 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.459 -13.990 16.783 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.005 -15.085 16.924 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.089 -15.932 16.532 1.00 0.00 C ATOM 1006 C ASN A 63 -9.471 -15.405 15.185 1.00 0.00 C ATOM 1007 O ASN A 63 -9.233 -14.221 14.942 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.308 -15.812 17.468 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.883 -16.199 18.885 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.553 -17.359 19.160 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.889 -15.180 19.797 1.00 0.00 N ATOM 0 H ASN A 63 -8.223 -14.089 16.881 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.793 -16.981 16.552 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.694 -14.793 17.455 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.113 -16.462 17.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.611 -15.358 20.762 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.171 -14.242 19.512 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.035 -16.190 14.285 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.562 -15.685 13.052 1.00 0.00 C ATOM 1020 C PRO A 64 -11.861 -15.024 13.396 1.00 0.00 C ATOM 1021 O PRO A 64 -12.677 -15.614 14.105 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.759 -16.925 12.175 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.884 -18.097 13.155 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.065 -17.640 14.363 1.00 0.00 C ATOM 0 HA PRO A 64 -9.932 -14.962 12.533 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.652 -16.832 11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.916 -17.066 11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.923 -18.287 13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.491 -19.020 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.521 -17.974 15.295 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.058 -18.056 14.334 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.066 -13.795 12.877 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.309 -13.106 13.025 1.00 0.00 C ATOM 1034 C HIS A 65 -13.998 -13.341 11.724 1.00 0.00 C ATOM 1035 O HIS A 65 -13.332 -13.625 10.727 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.129 -11.594 13.271 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.405 -10.842 13.491 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.917 -9.792 12.809 1.00 0.00 N flip ATOM 1039 CD2 HIS A 65 -15.273 -11.129 14.508 1.00 0.00 C flip ATOM 1040 CE1 HIS A 65 -16.095 -9.455 13.418 1.00 0.00 C flip ATOM 1041 NE2 HIS A 65 -16.287 -10.277 14.442 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.362 -13.278 12.351 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.865 -13.467 13.891 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.486 -11.455 14.140 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.609 -11.160 12.417 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.153 -11.915 15.239 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.756 -8.656 13.117 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -17.086 -10.257 15.076 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.346 -13.243 11.766 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.318 -13.527 10.744 1.00 0.00 C ATOM 1052 C ARG A 66 -15.929 -13.184 9.345 1.00 0.00 C ATOM 1053 O ARG A 66 -15.728 -14.067 8.512 1.00 0.00 O ATOM 1054 CB ARG A 66 -17.630 -12.770 11.006 1.00 0.00 C ATOM 1055 CG ARG A 66 -18.360 -13.244 12.266 1.00 0.00 C ATOM 1056 CD ARG A 66 -19.602 -12.400 12.549 1.00 0.00 C ATOM 1057 NE ARG A 66 -19.150 -11.070 13.046 1.00 0.00 N ATOM 1058 CZ ARG A 66 -20.054 -10.127 13.440 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -21.393 -10.384 13.372 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.615 -8.922 13.908 1.00 0.00 N ATOM 0 H ARG A 66 -15.805 -12.927 12.620 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.416 -14.611 10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.415 -11.705 11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.289 -12.890 10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.649 -14.289 12.149 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.684 -13.194 13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.200 -12.286 11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.235 -12.889 13.290 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.153 -10.862 13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.722 -11.285 13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.064 -9.675 13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.615 -8.730 13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.287 -8.214 14.204 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.853 -11.873 9.073 1.00 0.00 N ATOM 1075 CA GLU A 67 -15.675 -11.349 7.753 1.00 0.00 C ATOM 1076 C GLU A 67 -14.256 -10.896 7.612 1.00 0.00 C ATOM 1077 O GLU A 67 -13.975 -9.701 7.612 1.00 0.00 O ATOM 1078 CB GLU A 67 -16.651 -10.189 7.457 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.719 -9.785 5.978 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.750 -8.673 5.839 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.945 -8.928 6.142 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.352 -7.551 5.425 1.00 0.00 O ATOM 0 H GLU A 67 -15.917 -11.152 9.792 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.894 -12.133 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.649 -10.475 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.355 -9.321 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.743 -9.445 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.996 -10.640 5.362 1.00 0.00 H new ATOM 1089 N ASN A 68 -13.343 -11.886 7.462 1.00 0.00 N ATOM 1090 CA ASN A 68 -11.956 -11.808 7.026 1.00 0.00 C ATOM 1091 C ASN A 68 -11.009 -11.064 7.935 1.00 0.00 C ATOM 1092 O ASN A 68 -9.903 -10.715 7.525 1.00 0.00 O ATOM 1093 CB ASN A 68 -11.733 -11.376 5.536 1.00 0.00 C ATOM 1094 CG ASN A 68 -12.106 -9.918 5.193 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -13.202 -9.661 4.682 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -11.162 -8.963 5.454 1.00 0.00 N ATOM 0 H ASN A 68 -13.601 -12.851 7.668 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.687 -12.862 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.683 -11.530 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.314 -12.039 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.348 -7.986 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.272 -9.227 5.877 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.410 -10.803 9.192 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.684 -9.927 10.064 1.00 0.00 C ATOM 1105 C LEU A 69 -10.142 -10.854 11.086 1.00 0.00 C ATOM 1106 O LEU A 69 -10.441 -12.045 11.068 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.616 -8.862 10.678 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.554 -7.464 10.003 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.571 -7.457 8.465 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -12.684 -6.560 10.525 1.00 0.00 C ATOM 0 H LEU A 69 -12.249 -11.204 9.611 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.904 -9.355 9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.642 -9.227 10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.368 -8.750 11.734 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.574 -7.080 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.524 -6.429 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.712 -8.013 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.489 -7.924 8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.624 -5.586 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.648 -7.017 10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.582 -6.436 11.603 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.288 -10.329 11.975 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.575 -11.147 12.909 1.00 0.00 C ATOM 1124 C ARG A 70 -8.586 -10.415 14.199 1.00 0.00 C ATOM 1125 O ARG A 70 -7.885 -9.418 14.363 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.099 -11.353 12.522 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.873 -12.359 11.385 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.110 -13.805 11.824 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.769 -14.713 10.689 1.00 0.00 N ATOM 1130 CZ ARG A 70 -7.694 -15.095 9.759 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -8.970 -14.612 9.794 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -7.334 -15.975 8.778 1.00 0.00 N ATOM 0 H ARG A 70 -9.087 -9.332 12.050 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.052 -12.127 12.945 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.676 -10.392 12.229 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.549 -11.689 13.401 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.540 -12.121 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.853 -12.258 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.497 -14.041 12.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.150 -13.944 12.120 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.813 -15.060 10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.247 -13.954 10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.647 -14.909 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.382 -16.340 8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.017 -16.267 8.079 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.391 -10.922 15.152 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.475 -10.359 16.465 1.00 0.00 C ATOM 1148 C ILE A 71 -8.375 -11.001 17.257 1.00 0.00 C ATOM 1149 O ILE A 71 -8.061 -12.167 17.041 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.861 -10.553 17.068 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.058 -9.729 18.356 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.204 -12.043 17.269 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.540 -9.551 18.706 1.00 0.00 C ATOM 0 H ILE A 71 -9.992 -11.734 15.009 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.341 -9.277 16.458 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.574 -10.165 16.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.547 -10.222 19.183 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.595 -8.750 18.234 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.201 -12.132 17.701 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.178 -12.555 16.307 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.476 -12.497 17.941 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.630 -8.964 19.620 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.047 -9.033 17.891 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.999 -10.529 18.855 1.00 0.00 H new ATOM 1165 N SER A 72 -7.736 -10.239 18.170 1.00 0.00 N ATOM 1166 CA SER A 72 -6.572 -10.719 18.863 1.00 0.00 C ATOM 1167 C SER A 72 -6.945 -11.431 20.119 1.00 0.00 C ATOM 1168 O SER A 72 -8.089 -11.378 20.572 1.00 0.00 O ATOM 1169 CB SER A 72 -5.593 -9.601 19.251 1.00 0.00 C ATOM 1170 OG SER A 72 -6.150 -8.727 20.209 1.00 0.00 O ATOM 0 H SER A 72 -8.023 -9.295 18.428 1.00 0.00 H new ATOM 0 HA SER A 72 -6.085 -11.392 18.157 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.678 -10.040 19.648 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.315 -9.036 18.361 1.00 0.00 H new ATOM 0 HG SER A 72 -5.453 -8.129 20.551 1.00 0.00 H new ATOM 1176 N LYS A 73 -5.942 -12.127 20.696 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.121 -12.945 21.858 1.00 0.00 C ATOM 1178 C LYS A 73 -5.153 -12.464 22.896 1.00 0.00 C ATOM 1179 O LYS A 73 -5.287 -12.797 24.073 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.853 -14.427 21.540 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.507 -15.427 22.499 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.356 -16.869 21.993 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.100 -17.899 22.846 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.560 -17.660 22.790 1.00 0.00 N ATOM 0 H LYS A 73 -4.984 -12.119 20.345 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.149 -12.868 22.212 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.204 -14.635 20.529 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.776 -14.594 21.545 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.054 -15.337 23.486 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.565 -15.188 22.611 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.723 -16.926 20.968 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.297 -17.127 21.968 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.876 -18.905 22.490 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.755 -17.842 23.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.061 -18.474 23.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.792 -16.803 23.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.854 -17.535 21.800 1.00 0.00 H new ATOM 1198 N SER A 74 -4.156 -11.653 22.472 1.00 0.00 N ATOM 1199 CA SER A 74 -3.223 -11.038 23.364 1.00 0.00 C ATOM 1200 C SER A 74 -3.497 -9.588 23.226 1.00 0.00 C ATOM 1201 O SER A 74 -2.972 -8.926 22.335 1.00 0.00 O ATOM 1202 CB SER A 74 -1.743 -11.281 23.029 1.00 0.00 C ATOM 1203 OG SER A 74 -0.910 -10.523 23.894 1.00 0.00 O ATOM 0 H SER A 74 -4.000 -11.424 21.490 1.00 0.00 H new ATOM 0 HA SER A 74 -3.357 -11.455 24.362 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.511 -12.341 23.127 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.548 -11.006 21.992 1.00 0.00 H new ATOM 0 HG SER A 74 0.030 -10.688 23.671 1.00 0.00 H new ATOM 1209 N SER A 75 -4.363 -9.113 24.137 1.00 0.00 N ATOM 1210 CA SER A 75 -4.756 -7.741 24.334 1.00 0.00 C ATOM 1211 C SER A 75 -3.583 -6.818 24.462 1.00 0.00 C ATOM 1212 O SER A 75 -2.620 -7.098 25.175 1.00 0.00 O ATOM 1213 CB SER A 75 -5.593 -7.554 25.609 1.00 0.00 C ATOM 1214 OG SER A 75 -6.779 -8.333 25.533 1.00 0.00 O ATOM 0 H SER A 75 -4.831 -9.738 24.794 1.00 0.00 H new ATOM 0 HA SER A 75 -5.339 -7.496 23.446 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.011 -7.848 26.482 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.847 -6.502 25.735 1.00 0.00 H new ATOM 0 HG SER A 75 -7.305 -8.209 26.351 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.667 -5.685 23.736 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.594 -4.743 23.605 1.00 0.00 C ATOM 1222 C PHE A 76 -3.001 -3.534 24.351 1.00 0.00 C ATOM 1223 O PHE A 76 -4.189 -3.299 24.562 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.367 -4.266 22.155 1.00 0.00 C ATOM 1225 CG PHE A 76 -1.934 -5.387 21.274 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.893 -6.217 20.740 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.605 -5.577 20.921 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.543 -7.247 19.911 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.240 -6.617 20.081 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.221 -7.460 19.596 1.00 0.00 C ATOM 0 H PHE A 76 -4.507 -5.416 23.224 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.686 -5.230 23.961 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.287 -3.830 21.766 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.612 -3.480 22.143 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.934 -6.053 20.978 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.151 -4.908 21.304 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.306 -7.894 19.503 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.795 -6.766 19.810 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.948 -8.293 18.965 1.00 0.00 H new ATOM 1240 N GLN A 77 -1.993 -2.732 24.748 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.234 -1.476 25.383 1.00 0.00 C ATOM 1242 C GLN A 77 -2.529 -0.572 24.257 1.00 0.00 C ATOM 1243 O GLN A 77 -1.860 -0.613 23.231 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.023 -1.016 26.238 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.305 -0.245 27.551 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.286 0.919 27.391 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -1.920 2.034 27.001 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.577 0.637 27.744 1.00 0.00 N ATOM 0 H GLN A 77 -1.006 -2.958 24.627 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.053 -1.509 26.102 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.438 -1.901 26.490 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.393 -0.386 25.611 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.700 -0.941 28.291 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.364 0.138 27.945 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.826 -0.300 28.059 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.290 1.364 27.692 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.576 0.246 24.412 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.034 1.071 23.345 1.00 0.00 C ATOM 1259 C VAL A 78 -4.264 2.400 23.989 1.00 0.00 C ATOM 1260 O VAL A 78 -4.709 2.474 25.130 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.274 0.439 22.740 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.444 1.416 22.527 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -4.802 -0.268 21.461 1.00 0.00 C ATOM 0 H VAL A 78 -4.108 0.338 25.278 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.341 1.185 22.511 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.715 -0.277 23.434 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.289 0.882 22.091 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.740 1.844 23.485 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.133 2.215 21.854 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.652 -0.746 20.975 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.360 0.463 20.783 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.058 -1.023 21.716 1.00 0.00 H new ATOM 1273 N THR A 79 -3.949 3.489 23.259 1.00 0.00 N ATOM 1274 CA THR A 79 -4.325 4.811 23.663 1.00 0.00 C ATOM 1275 C THR A 79 -4.947 5.384 22.439 1.00 0.00 C ATOM 1276 O THR A 79 -4.254 5.766 21.496 1.00 0.00 O ATOM 1277 CB THR A 79 -3.187 5.671 24.164 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.629 5.097 25.337 1.00 0.00 O ATOM 1279 CG2 THR A 79 -3.692 7.081 24.516 1.00 0.00 C ATOM 0 H THR A 79 -3.430 3.452 22.382 1.00 0.00 H new ATOM 0 HA THR A 79 -4.991 4.776 24.525 1.00 0.00 H new ATOM 0 HB THR A 79 -2.437 5.733 23.375 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.959 4.427 25.087 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.860 7.686 24.875 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.122 7.545 23.629 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.452 7.012 25.294 1.00 0.00 H new ATOM 1287 N THR A 80 -6.294 5.434 22.443 1.00 0.00 N ATOM 1288 CA THR A 80 -7.043 5.894 21.314 1.00 0.00 C ATOM 1289 C THR A 80 -7.207 7.370 21.461 1.00 0.00 C ATOM 1290 O THR A 80 -7.907 7.834 22.359 1.00 0.00 O ATOM 1291 CB THR A 80 -8.400 5.240 21.239 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.255 3.834 21.350 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.080 5.555 19.899 1.00 0.00 C ATOM 0 H THR A 80 -6.868 5.152 23.238 1.00 0.00 H new ATOM 0 HA THR A 80 -6.511 5.638 20.398 1.00 0.00 H new ATOM 0 HB THR A 80 -9.012 5.626 22.054 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.137 3.409 21.303 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.058 5.074 19.865 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.203 6.633 19.798 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.463 5.182 19.081 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.565 8.140 20.559 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.725 9.564 20.548 1.00 0.00 C ATOM 1303 C CYS A 81 -7.859 9.826 19.625 1.00 0.00 C ATOM 1304 O CYS A 81 -7.779 9.508 18.440 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.522 10.332 19.967 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.957 9.857 20.731 1.00 0.00 S ATOM 0 H CYS A 81 -5.938 7.778 19.841 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.859 9.895 21.578 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.466 10.153 18.893 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.679 11.402 20.104 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.940 10.417 20.161 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.071 10.764 19.350 1.00 0.00 C ATOM 1313 C LYS A 82 -10.156 12.252 19.374 1.00 0.00 C ATOM 1314 O LYS A 82 -9.919 12.882 20.401 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.390 10.147 19.842 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.557 10.330 18.862 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.788 9.523 19.279 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.941 9.616 18.279 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.408 11.014 18.154 1.00 0.00 N ATOM 0 H LYS A 82 -9.034 10.655 21.148 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.930 10.368 18.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.239 9.082 20.020 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.656 10.595 20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.819 11.386 18.804 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.244 10.024 17.864 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.504 8.477 19.399 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.131 9.874 20.252 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.617 9.246 17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.764 8.979 18.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.274 11.041 17.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.608 11.399 19.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.670 11.587 17.696 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.476 12.833 18.207 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.407 14.241 17.954 1.00 0.00 C ATOM 1335 C LEU A 83 -11.719 14.819 18.354 1.00 0.00 C ATOM 1336 O LEU A 83 -12.779 14.316 17.983 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.201 14.436 16.434 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.938 15.833 15.816 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.206 16.587 15.389 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.976 16.746 16.591 1.00 0.00 C ATOM 0 H LEU A 83 -10.798 12.298 17.400 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.595 14.719 18.502 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.363 13.801 16.146 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.088 14.036 15.942 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.401 15.565 14.906 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.930 17.554 14.968 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.741 16.004 14.639 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.848 16.739 16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.870 17.694 16.064 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.373 16.929 17.590 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.002 16.264 16.670 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.650 15.914 19.129 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.797 16.637 19.579 1.00 0.00 C ATOM 1354 C HIS A 84 -12.436 18.063 19.395 1.00 0.00 C ATOM 1355 O HIS A 84 -11.351 18.382 18.913 1.00 0.00 O ATOM 1356 CB HIS A 84 -13.132 16.345 21.050 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.566 14.920 21.212 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -14.823 14.497 20.876 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.848 13.821 21.537 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.867 13.178 21.005 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.680 12.743 21.404 1.00 0.00 N ATOM 0 H HIS A 84 -10.767 16.309 19.453 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.689 16.351 19.021 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.260 16.540 21.674 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.923 17.014 21.390 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.813 13.799 21.844 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.731 12.558 20.816 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.430 11.770 21.582 1.00 0.00 H new ATOM 1370 N GLY A 85 -13.373 18.949 19.765 1.00 0.00 N ATOM 1371 CA GLY A 85 -13.193 20.363 19.626 1.00 0.00 C ATOM 1372 C GLY A 85 -14.067 20.790 18.505 1.00 0.00 C ATOM 1373 O GLY A 85 -15.212 21.185 18.715 1.00 0.00 O ATOM 0 H GLY A 85 -14.272 18.683 20.168 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.462 20.881 20.547 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.150 20.603 19.418 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.529 20.704 17.277 1.00 0.00 N ATOM 1378 CA GLY A 86 -14.301 21.037 16.119 1.00 0.00 C ATOM 1379 C GLY A 86 -13.414 21.548 15.034 1.00 0.00 C ATOM 1380 O GLY A 86 -13.895 21.766 13.924 1.00 0.00 O ATOM 0 H GLY A 86 -12.572 20.408 17.085 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.844 20.158 15.771 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.046 21.791 16.375 1.00 0.00 H new ATOM 1384 N SER A 87 -12.112 21.764 15.333 1.00 0.00 N ATOM 1385 CA SER A 87 -11.176 22.281 14.371 1.00 0.00 C ATOM 1386 C SER A 87 -10.746 21.165 13.453 1.00 0.00 C ATOM 1387 O SER A 87 -10.311 20.135 13.968 1.00 0.00 O ATOM 1388 CB SER A 87 -9.894 22.813 15.033 1.00 0.00 C ATOM 1389 OG SER A 87 -10.215 23.847 15.951 1.00 0.00 O ATOM 0 H SER A 87 -11.706 21.578 16.250 1.00 0.00 H new ATOM 0 HA SER A 87 -11.679 23.091 13.844 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.379 22.003 15.550 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.211 23.190 14.272 1.00 0.00 H new ATOM 0 HG SER A 87 -9.394 24.179 16.370 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.810 21.293 12.128 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.278 20.291 11.248 1.00 0.00 C ATOM 1397 C PRO A 88 -8.811 20.530 11.116 1.00 0.00 C ATOM 1398 O PRO A 88 -8.093 19.582 10.816 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.916 20.552 9.882 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.110 21.465 10.169 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.672 22.226 11.420 1.00 0.00 C ATOM 0 HA PRO A 88 -10.470 19.281 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.210 21.028 9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.235 19.622 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.311 22.139 9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.022 20.894 10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.140 23.141 11.162 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.528 22.516 12.029 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.365 21.788 11.276 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.029 22.186 10.963 1.00 0.00 C ATOM 1411 C TRP A 89 -6.238 22.191 12.235 1.00 0.00 C ATOM 1412 O TRP A 89 -6.858 22.195 13.298 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.038 23.589 10.332 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.896 23.609 9.092 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.101 24.214 8.891 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.605 22.870 7.892 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.579 23.906 7.641 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.671 23.076 7.017 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.546 22.077 7.550 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.692 22.490 5.783 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.569 21.481 6.306 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.626 21.683 5.437 1.00 0.00 C ATOM 0 H TRP A 89 -8.947 22.547 11.631 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.581 21.495 10.249 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.414 24.315 11.053 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.020 23.887 10.081 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.606 24.843 9.609 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.458 24.236 7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.721 21.922 8.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.514 22.652 5.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.748 20.846 6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.618 21.201 4.471 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.907 22.190 12.193 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.100 22.147 13.381 1.00 0.00 C ATOM 1435 C PRO A 90 -4.175 23.514 14.034 1.00 0.00 C ATOM 1436 O PRO A 90 -4.213 24.479 13.272 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.673 21.852 12.899 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.693 22.090 11.387 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.146 21.822 11.011 1.00 0.00 C ATOM 0 HA PRO A 90 -4.424 21.397 14.102 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.951 22.505 13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.385 20.827 13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.393 23.107 11.136 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.012 21.419 10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.447 22.414 10.146 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.301 20.775 10.750 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.180 23.693 15.354 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.941 22.659 16.325 1.00 0.00 C ATOM 1449 C PRO A 91 -5.195 21.892 16.566 1.00 0.00 C ATOM 1450 O PRO A 91 -6.289 22.338 16.221 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.577 23.370 17.618 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.071 24.732 17.161 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.891 25.004 15.899 1.00 0.00 C ATOM 0 HA PRO A 91 -3.162 21.978 15.983 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.440 23.466 18.277 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.812 22.825 18.171 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.234 25.497 17.920 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.002 24.714 16.950 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.808 25.546 16.132 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.333 25.613 15.188 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.999 20.713 17.167 1.00 0.00 N ATOM 1462 CA CYS A 92 -6.011 19.710 17.287 1.00 0.00 C ATOM 1463 C CYS A 92 -6.139 19.398 18.740 1.00 0.00 C ATOM 1464 O CYS A 92 -5.135 19.286 19.441 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.588 18.401 16.603 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.160 18.571 14.845 1.00 0.00 S ATOM 0 H CYS A 92 -4.108 20.444 17.585 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.930 20.078 16.831 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.730 17.989 17.134 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.398 17.678 16.698 1.00 0.00 H new ATOM 1471 N GLN A 93 -7.392 19.241 19.215 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.656 18.918 20.591 1.00 0.00 C ATOM 1473 C GLN A 93 -7.975 17.459 20.653 1.00 0.00 C ATOM 1474 O GLN A 93 -9.048 17.040 20.230 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.858 19.690 21.164 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.652 21.209 21.167 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.949 21.858 21.646 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.398 21.638 22.778 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -10.558 22.680 20.739 1.00 0.00 N ATOM 0 H GLN A 93 -8.230 19.338 18.642 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.779 19.188 21.179 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.747 19.451 20.580 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.046 19.353 22.183 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.825 21.480 21.823 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.396 21.561 20.168 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.140 22.823 19.820 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.430 23.150 20.982 1.00 0.00 H new ATOM 1488 N TYR A 94 -7.038 16.649 21.187 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.223 15.227 21.262 1.00 0.00 C ATOM 1490 C TYR A 94 -7.583 14.848 22.657 1.00 0.00 C ATOM 1491 O TYR A 94 -6.834 15.109 23.598 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.943 14.445 20.934 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.798 14.487 19.460 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.682 13.757 18.698 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.841 15.262 18.835 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.667 13.851 17.328 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.815 15.342 17.458 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.742 14.657 16.710 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.740 14.760 15.310 1.00 0.00 O ATOM 0 H TYR A 94 -6.151 16.979 21.567 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.001 14.983 20.538 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.078 14.892 21.423 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.013 13.417 21.289 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.394 13.105 19.182 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.115 15.804 19.423 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.380 13.293 16.739 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.065 15.944 16.967 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.439 14.182 14.938 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.743 14.177 22.793 1.00 0.00 N ATOM 1510 CA ARG A 95 -9.143 13.543 24.014 1.00 0.00 C ATOM 1511 C ARG A 95 -8.565 12.166 23.963 1.00 0.00 C ATOM 1512 O ARG A 95 -8.857 11.403 23.045 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.673 13.393 24.128 1.00 0.00 C ATOM 1514 CG ARG A 95 -11.173 12.852 25.479 1.00 0.00 C ATOM 1515 CD ARG A 95 -12.660 12.488 25.454 1.00 0.00 C ATOM 1516 NE ARG A 95 -12.814 11.317 24.543 1.00 0.00 N ATOM 1517 CZ ARG A 95 -14.038 10.756 24.318 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -15.149 11.250 24.937 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -14.150 9.703 23.456 1.00 0.00 N ATOM 0 H ARG A 95 -9.419 14.073 22.036 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.803 14.142 24.859 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.133 14.365 23.950 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.018 12.727 23.337 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.592 11.971 25.751 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.999 13.600 26.253 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.013 12.244 26.456 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.256 13.330 25.102 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.992 10.929 24.081 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.068 12.044 25.573 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.060 10.826 24.764 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.322 9.340 22.984 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.062 9.280 23.284 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.743 11.817 24.972 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.199 10.496 25.063 1.00 0.00 C ATOM 1535 C ALA A 96 -8.146 9.648 25.836 1.00 0.00 C ATOM 1536 O ALA A 96 -8.600 10.034 26.912 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.894 10.442 25.864 1.00 0.00 C ATOM 0 H ALA A 96 -7.456 12.447 25.721 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.027 10.164 24.039 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.530 9.415 25.898 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.147 11.076 25.386 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.075 10.797 26.879 1.00 0.00 H new ATOM 1543 N THR A 97 -8.437 8.447 25.300 1.00 0.00 N ATOM 1544 CA THR A 97 -9.140 7.436 26.034 1.00 0.00 C ATOM 1545 C THR A 97 -8.312 6.210 25.857 1.00 0.00 C ATOM 1546 O THR A 97 -8.324 5.591 24.793 1.00 0.00 O ATOM 1547 CB THR A 97 -10.534 7.181 25.519 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.303 8.372 25.587 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.241 6.078 26.331 1.00 0.00 C ATOM 0 H THR A 97 -8.183 8.174 24.351 1.00 0.00 H new ATOM 0 HA THR A 97 -9.270 7.742 27.072 1.00 0.00 H new ATOM 0 HB THR A 97 -10.448 6.850 24.484 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.206 8.198 25.249 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.243 5.919 25.933 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.671 5.151 26.259 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.309 6.382 27.376 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.569 5.838 26.916 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.719 4.687 26.868 1.00 0.00 C ATOM 1559 C ALA A 98 -7.467 3.508 27.390 1.00 0.00 C ATOM 1560 O ALA A 98 -8.140 3.589 28.416 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.439 4.851 27.696 1.00 0.00 C ATOM 0 H ALA A 98 -7.557 6.335 27.807 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.425 4.552 25.827 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.837 3.945 27.619 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.868 5.699 27.319 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.701 5.025 28.740 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.340 2.371 26.676 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.922 1.139 27.114 1.00 0.00 C ATOM 1569 C GLY A 99 -6.982 0.057 26.728 1.00 0.00 C ATOM 1570 O GLY A 99 -6.317 0.141 25.701 1.00 0.00 O ATOM 0 H GLY A 99 -6.833 2.307 25.793 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.079 1.148 28.193 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.897 0.987 26.652 1.00 0.00 H new ATOM 1574 N PHE A 100 -6.912 -0.994 27.558 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.104 -2.148 27.279 1.00 0.00 C ATOM 1576 C PHE A 100 -7.087 -3.131 26.731 1.00 0.00 C ATOM 1577 O PHE A 100 -7.889 -3.691 27.475 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.432 -2.675 28.566 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.447 -3.774 28.318 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.161 -3.492 27.894 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -4.772 -5.084 28.622 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.219 -4.492 27.774 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -3.833 -6.088 28.503 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.552 -5.794 28.081 1.00 0.00 C ATOM 0 H PHE A 100 -7.423 -1.049 28.439 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.285 -1.944 26.590 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.925 -1.850 29.066 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.203 -3.035 29.247 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.891 -2.474 27.654 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.771 -5.323 28.956 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.220 -4.255 27.439 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.101 -7.107 28.741 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.815 -6.579 27.992 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.072 -3.321 25.393 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.130 -4.034 24.737 1.00 0.00 C ATOM 1596 C ARG A 101 -7.552 -4.850 23.632 1.00 0.00 C ATOM 1597 O ARG A 101 -6.490 -4.540 23.094 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.225 -3.119 24.138 1.00 0.00 C ATOM 1599 CG ARG A 101 -8.699 -1.954 23.282 1.00 0.00 C ATOM 1600 CD ARG A 101 -9.776 -1.336 22.378 1.00 0.00 C ATOM 1601 NE ARG A 101 -10.885 -0.743 23.180 1.00 0.00 N ATOM 1602 CZ ARG A 101 -10.859 0.555 23.615 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -9.751 1.332 23.448 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -11.964 1.082 24.222 1.00 0.00 N ATOM 0 H ARG A 101 -6.335 -2.985 24.773 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.605 -4.649 25.501 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.892 -3.727 23.527 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.823 -2.711 24.953 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.297 -1.182 23.938 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.874 -2.309 22.664 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -9.328 -0.567 21.749 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.175 -2.100 21.711 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.690 -1.324 23.412 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.923 0.948 22.992 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.750 2.297 23.779 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.799 0.509 24.348 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.954 2.048 24.549 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.287 -5.920 23.275 1.00 0.00 N ATOM 1619 CA ASN A 102 -7.965 -6.776 22.174 1.00 0.00 C ATOM 1620 C ASN A 102 -8.404 -6.089 20.919 1.00 0.00 C ATOM 1621 O ASN A 102 -9.517 -5.574 20.817 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.583 -8.191 22.293 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.092 -8.174 22.557 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.584 -7.726 23.599 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.837 -8.744 21.562 1.00 0.00 N ATOM 0 H ASN A 102 -9.134 -6.199 23.770 1.00 0.00 H new ATOM 0 HA ASN A 102 -6.888 -6.944 22.165 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.388 -8.743 21.374 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.086 -8.730 23.100 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.850 -8.815 21.660 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.380 -9.098 20.722 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.470 -6.050 19.948 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.591 -5.253 18.765 1.00 0.00 C ATOM 1634 C VAL A 103 -8.050 -6.132 17.647 1.00 0.00 C ATOM 1635 O VAL A 103 -7.633 -7.285 17.548 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.286 -4.563 18.385 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.906 -3.597 19.527 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.149 -5.570 18.117 1.00 0.00 C ATOM 0 H VAL A 103 -6.605 -6.589 19.988 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.315 -4.462 18.960 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.431 -4.015 17.454 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.974 -3.090 19.279 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.697 -2.859 19.658 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.778 -4.159 20.452 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.240 -5.030 17.850 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.969 -6.163 19.014 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.433 -6.230 17.297 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.917 -5.592 16.764 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.239 -6.260 15.536 1.00 0.00 C ATOM 1650 C VAL A 104 -8.413 -5.575 14.504 1.00 0.00 C ATOM 1651 O VAL A 104 -8.548 -4.370 14.294 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.692 -6.164 15.127 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.910 -6.859 13.771 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.562 -6.849 16.187 1.00 0.00 C ATOM 0 H VAL A 104 -9.392 -4.699 16.899 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.044 -7.326 15.652 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.967 -5.113 15.039 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.960 -6.783 13.488 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.294 -6.377 13.012 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.631 -7.910 13.852 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.610 -6.782 15.896 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.275 -7.897 16.271 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.420 -6.356 17.148 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.545 -6.358 13.833 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.761 -5.884 12.726 1.00 0.00 C ATOM 1666 C VAL A 105 -7.283 -6.645 11.536 1.00 0.00 C ATOM 1667 O VAL A 105 -7.908 -7.686 11.718 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.265 -6.100 12.906 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.787 -5.500 14.239 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.868 -7.582 12.895 1.00 0.00 C ATOM 0 H VAL A 105 -7.383 -7.339 14.062 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.861 -4.804 12.617 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.792 -5.604 12.058 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.715 -5.665 14.349 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.993 -4.430 14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.314 -5.980 15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.790 -7.671 13.027 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.377 -8.101 13.707 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.155 -8.028 11.943 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.037 -6.163 10.294 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.351 -6.935 9.110 1.00 0.00 C ATOM 1682 C ALA A 106 -6.045 -7.338 8.513 1.00 0.00 C ATOM 1683 O ALA A 106 -5.152 -6.498 8.380 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.139 -6.192 8.027 1.00 0.00 C ATOM 0 H ALA A 106 -6.625 -5.249 10.107 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.988 -7.760 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.321 -6.861 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.092 -5.856 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.566 -5.329 7.687 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.926 -8.644 8.162 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.676 -9.245 7.779 1.00 0.00 C ATOM 1692 C CYS A 107 -4.573 -9.554 6.324 1.00 0.00 C ATOM 1693 O CYS A 107 -5.562 -9.844 5.650 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.375 -10.556 8.524 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.018 -10.261 10.272 1.00 0.00 S ATOM 0 H CYS A 107 -6.714 -9.291 8.145 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.953 -8.476 8.049 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.227 -11.230 8.435 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.525 -11.054 8.057 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.313 -9.518 5.836 1.00 0.00 N ATOM 1701 CA GLU A 108 -2.944 -9.952 4.521 1.00 0.00 C ATOM 1702 C GLU A 108 -1.532 -10.433 4.649 1.00 0.00 C ATOM 1703 O GLU A 108 -0.649 -9.677 5.055 1.00 0.00 O ATOM 1704 CB GLU A 108 -2.960 -8.823 3.470 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.695 -9.289 2.032 1.00 0.00 C ATOM 1706 CD GLU A 108 -2.638 -8.051 1.148 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -1.676 -7.253 1.313 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.550 -7.890 0.293 1.00 0.00 O ATOM 0 H GLU A 108 -2.523 -9.173 6.381 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.656 -10.704 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.929 -8.325 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.210 -8.080 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.758 -9.843 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.484 -9.963 1.697 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.293 -11.715 4.289 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.006 -12.379 4.189 1.00 0.00 C ATOM 1717 C ASN A 109 0.739 -12.593 5.486 1.00 0.00 C ATOM 1718 O ASN A 109 1.902 -12.994 5.458 1.00 0.00 O ATOM 1719 CB ASN A 109 0.950 -11.869 3.061 1.00 0.00 C ATOM 1720 CG ASN A 109 1.682 -10.540 3.335 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.625 -10.453 4.129 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.246 -9.477 2.590 1.00 0.00 N ATOM 0 H ASN A 109 -2.059 -12.343 4.047 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.341 -13.367 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.698 -12.639 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.370 -11.757 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.704 -8.570 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.464 -9.592 1.946 1.00 0.00 H new ATOM 1729 N GLY A 110 0.092 -12.357 6.651 1.00 0.00 N ATOM 1730 CA GLY A 110 0.708 -12.579 7.929 1.00 0.00 C ATOM 1731 C GLY A 110 1.079 -11.272 8.561 1.00 0.00 C ATOM 1732 O GLY A 110 1.558 -11.256 9.694 1.00 0.00 O ATOM 0 H GLY A 110 -0.866 -12.010 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.025 -13.125 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.597 -13.198 7.809 1.00 0.00 H new ATOM 1736 N LEU A 111 0.855 -10.149 7.847 1.00 0.00 N ATOM 1737 CA LEU A 111 1.095 -8.838 8.385 1.00 0.00 C ATOM 1738 C LEU A 111 -0.241 -8.193 8.399 1.00 0.00 C ATOM 1739 O LEU A 111 -0.929 -8.317 7.390 1.00 0.00 O ATOM 1740 CB LEU A 111 1.950 -7.964 7.461 1.00 0.00 C ATOM 1741 CG LEU A 111 3.447 -8.305 7.540 1.00 0.00 C ATOM 1742 CD1 LEU A 111 4.163 -7.861 6.263 1.00 0.00 C ATOM 1743 CD2 LEU A 111 4.249 -7.831 8.748 1.00 0.00 C ATOM 0 H LEU A 111 0.505 -10.149 6.889 1.00 0.00 H new ATOM 0 HA LEU A 111 1.601 -8.930 9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.608 -8.086 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.806 -6.916 7.723 1.00 0.00 H new ATOM 0 HG LEU A 111 3.421 -9.388 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.222 -8.109 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.727 -8.373 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.051 -6.784 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.285 -8.155 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.213 -6.743 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.823 -8.256 9.657 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.681 -7.508 9.429 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.927 -6.831 9.341 1.00 0.00 C ATOM 1757 C PRO A 112 -1.699 -5.593 8.549 1.00 0.00 C ATOM 1758 O PRO A 112 -0.797 -4.821 8.857 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.371 -6.543 10.755 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.468 -7.384 11.660 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.252 -7.706 10.796 1.00 0.00 C ATOM 0 HA PRO A 112 -2.707 -7.410 8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.275 -5.482 10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.419 -6.807 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.183 -6.834 12.557 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.972 -8.292 11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.587 -7.054 11.042 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.083 -8.731 10.957 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.527 -5.407 7.513 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.390 -4.331 6.589 1.00 0.00 C ATOM 1771 C VAL A 113 -3.273 -3.203 7.005 1.00 0.00 C ATOM 1772 O VAL A 113 -3.098 -2.086 6.522 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.783 -4.731 5.187 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.557 -5.357 4.513 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.941 -5.746 5.220 1.00 0.00 C ATOM 0 H VAL A 113 -3.315 -6.022 7.311 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.340 -4.039 6.590 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.119 -3.856 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.813 -5.656 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.746 -4.629 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.238 -6.232 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.211 -6.023 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.630 -6.636 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.803 -5.299 5.715 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.268 -3.475 7.879 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.283 -2.491 8.128 1.00 0.00 C ATOM 1787 C HIS A 114 -5.739 -2.679 9.526 1.00 0.00 C ATOM 1788 O HIS A 114 -5.225 -3.528 10.252 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.544 -2.661 7.265 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.318 -2.767 5.807 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.450 -3.879 5.072 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -6.005 -1.742 4.958 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.215 -3.536 3.771 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -5.947 -2.236 3.728 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.369 -4.347 8.398 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.840 -1.519 7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.071 -3.555 7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.205 -1.814 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -5.835 -0.713 5.239 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.242 -4.206 2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -5.731 -1.703 2.885 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.735 -1.861 9.915 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.189 -1.814 11.263 1.00 0.00 C ATOM 1805 C LEU A 115 -8.656 -1.551 11.216 1.00 0.00 C ATOM 1806 O LEU A 115 -9.112 -0.695 10.460 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.517 -0.646 11.999 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.442 -0.780 13.538 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -5.969 -2.079 14.199 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -5.769 0.424 14.198 1.00 0.00 C ATOM 0 H LEU A 115 -7.227 -1.228 9.285 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.955 -2.746 11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.504 -0.531 11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.056 0.270 11.758 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.512 -0.820 13.740 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.990 -1.964 15.283 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.628 -2.897 13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.951 -2.301 13.878 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.742 0.279 15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.752 0.525 13.820 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.333 1.328 13.967 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.425 -2.290 12.042 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.844 -2.100 12.140 1.00 0.00 C ATOM 1824 C ASP A 116 -11.075 -1.128 13.254 1.00 0.00 C ATOM 1825 O ASP A 116 -10.577 -1.314 14.364 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.585 -3.412 12.437 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.089 -3.197 12.359 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.571 -2.727 11.294 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.781 -3.517 13.362 1.00 0.00 O ATOM 0 H ASP A 116 -9.060 -3.026 12.647 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.229 -1.731 11.189 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.283 -4.178 11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.313 -3.775 13.428 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.834 -0.050 12.953 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.985 1.077 13.836 1.00 0.00 C ATOM 1836 C GLN A 117 -13.370 1.101 14.413 1.00 0.00 C ATOM 1837 O GLN A 117 -13.826 2.160 14.837 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.820 2.426 13.091 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.473 2.585 12.377 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.379 2.423 13.423 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.705 1.391 13.462 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.231 3.450 14.306 1.00 0.00 N ATOM 0 H GLN A 117 -12.353 0.041 12.080 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.217 0.965 14.602 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.621 2.525 12.359 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.939 3.240 13.806 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.365 1.838 11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.405 3.562 11.899 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.817 4.281 14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.534 3.388 15.048 1.00 0.00 H new ATOM 1851 N SER A 118 -14.081 -0.053 14.441 1.00 0.00 N ATOM 1852 CA SER A 118 -15.478 -0.075 14.789 1.00 0.00 C ATOM 1853 C SER A 118 -15.605 -0.177 16.269 1.00 0.00 C ATOM 1854 O SER A 118 -16.575 0.292 16.863 1.00 0.00 O ATOM 1855 CB SER A 118 -16.237 -1.265 14.184 1.00 0.00 C ATOM 1856 OG SER A 118 -16.133 -1.233 12.769 1.00 0.00 O ATOM 0 H SER A 118 -13.688 -0.968 14.223 1.00 0.00 H new ATOM 0 HA SER A 118 -15.911 0.843 14.392 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.829 -2.201 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.285 -1.229 14.482 1.00 0.00 H new ATOM 0 HG SER A 118 -15.302 -1.672 12.492 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.587 -0.811 16.880 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.477 -1.002 18.290 1.00 0.00 C ATOM 1864 C ILE A 119 -13.910 0.207 18.925 1.00 0.00 C ATOM 1865 O ILE A 119 -14.119 0.436 20.117 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.525 -2.103 18.701 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.381 -2.391 17.699 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.347 -3.335 19.056 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.698 -3.305 16.516 1.00 0.00 C ATOM 0 H ILE A 119 -13.803 -1.209 16.363 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.493 -1.245 18.601 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.975 -1.762 19.578 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.031 -1.437 17.304 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.551 -2.831 18.252 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.680 -4.143 19.356 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.022 -3.097 19.878 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.928 -3.647 18.188 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.808 -3.420 15.897 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.012 -4.281 16.885 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.500 -2.866 15.922 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.141 0.995 18.144 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.303 2.015 18.695 1.00 0.00 C ATOM 1883 C PHE A 120 -12.983 3.342 18.623 1.00 0.00 C ATOM 1884 O PHE A 120 -12.334 4.364 18.417 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.928 2.098 17.994 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.166 0.793 17.987 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.293 -0.198 18.957 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.260 0.572 16.962 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.517 -1.341 18.900 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.501 -0.572 16.902 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.627 -1.534 17.871 1.00 0.00 C ATOM 0 H PHE A 120 -13.102 0.923 17.127 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.125 1.746 19.736 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.075 2.428 16.965 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.324 2.858 18.489 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.004 -0.073 19.761 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.147 1.319 16.190 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.611 -2.090 19.672 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.804 -0.714 16.090 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.033 -2.435 17.826 1.00 0.00 H new