USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 61 ASN : amide:sc= -1.37 K(o=-1.6,f=-0.88) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.238 K(o=-1.6,f=-2.7) USER MOD Set 2.1: A 59 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.37) USER MOD Set 2.2: A 63 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 52 ASN : amide:sc= -2.58! C(o=-1.4!,f=-7.7!) USER MOD Set 3.2: A 55 SER OG : rot 107:sc= 1.16 USER MOD Set 4.1: A 17 SER OG : rot 82:sc= 1.04 USER MOD Set 4.2: A 18 ASN : amide:sc= 1.1 K(o=2.3,f=-1.2) USER MOD Set 4.3: A 47 TYR OH : rot 138:sc= 0.181 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.845 X(o=-0.85,f=-0.67) USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.488) USER MOD Single : A 11 SER OG : rot -21:sc= 0.493 USER MOD Single : A 12 MET CE :methyl -151:sc= -0.493 (180deg=-2.42!) USER MOD Single : A 14 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.15) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00541 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 167:sc= -0.263 USER MOD Single : A 35 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc=-0.000523 (180deg=-0.0847) USER MOD Single : A 50 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-0.69) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= -1.9! (180deg=-1.93!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.12) USER MOD Single : A 82 SER OG : rot -47:sc= 0.783 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 91 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.735 14.636 -7.303 1.00 0.00 N ATOM 2 CA ALA A 1 -15.992 15.125 -6.106 1.00 0.00 C ATOM 3 C ALA A 1 -14.570 14.553 -6.118 1.00 0.00 C ATOM 4 O ALA A 1 -13.602 15.279 -6.226 1.00 0.00 O ATOM 5 CB ALA A 1 -16.717 14.670 -4.838 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.700 15.024 -7.295 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.245 14.945 -8.166 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.779 13.597 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.944 16.214 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.176 15.026 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.728 15.078 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.765 13.581 -4.817 1.00 0.00 H new ATOM 13 N ARG A 2 -14.445 13.252 -6.009 1.00 0.00 N ATOM 14 CA ARG A 2 -13.096 12.604 -6.011 1.00 0.00 C ATOM 15 C ARG A 2 -12.300 13.061 -4.777 1.00 0.00 C ATOM 16 O ARG A 2 -12.456 14.182 -4.329 1.00 0.00 O ATOM 17 CB ARG A 2 -12.327 12.985 -7.281 1.00 0.00 C ATOM 18 CG ARG A 2 -13.202 12.731 -8.513 1.00 0.00 C ATOM 19 CD ARG A 2 -13.357 11.223 -8.746 1.00 0.00 C ATOM 20 NE ARG A 2 -14.761 10.819 -8.452 1.00 0.00 N ATOM 21 CZ ARG A 2 -15.169 9.614 -8.747 1.00 0.00 C ATOM 22 NH1 ARG A 2 -14.886 8.618 -7.953 1.00 0.00 N ATOM 23 NH2 ARG A 2 -15.859 9.405 -9.835 1.00 0.00 N ATOM 0 H ARG A 2 -15.229 12.605 -5.918 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.226 11.522 -5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.036 14.035 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.408 12.402 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.182 13.188 -8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.754 13.198 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.104 10.975 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.667 10.672 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 2 -15.403 11.484 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.347 8.781 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.204 7.676 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.080 10.183 -10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.177 8.463 -10.064 1.00 0.00 H new ATOM 37 N PRO A 3 -11.462 12.178 -4.264 1.00 0.00 N ATOM 38 CA PRO A 3 -10.669 12.577 -3.077 1.00 0.00 C ATOM 39 C PRO A 3 -9.243 12.958 -3.492 1.00 0.00 C ATOM 40 O PRO A 3 -8.748 12.533 -4.522 1.00 0.00 O ATOM 41 CB PRO A 3 -10.650 11.339 -2.183 1.00 0.00 C ATOM 42 CG PRO A 3 -10.911 10.137 -3.105 1.00 0.00 C ATOM 43 CD PRO A 3 -11.540 10.696 -4.392 1.00 0.00 C ATOM 0 HA PRO A 3 -11.094 13.444 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.690 11.240 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.413 11.407 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.983 9.609 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.579 9.421 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.001 10.350 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.573 10.365 -4.499 1.00 0.00 H new ATOM 51 N ALA A 4 -8.584 13.755 -2.693 1.00 0.00 N ATOM 52 CA ALA A 4 -7.191 14.174 -3.024 1.00 0.00 C ATOM 53 C ALA A 4 -6.251 12.963 -2.992 1.00 0.00 C ATOM 54 O ALA A 4 -5.191 12.987 -3.587 1.00 0.00 O ATOM 55 CB ALA A 4 -6.717 15.212 -2.005 1.00 0.00 C ATOM 0 H ALA A 4 -8.953 14.135 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.179 14.606 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.699 15.519 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.375 16.080 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.738 14.777 -1.006 1.00 0.00 H new ATOM 61 N PHE A 5 -6.622 11.908 -2.301 1.00 0.00 N ATOM 62 CA PHE A 5 -5.738 10.705 -2.235 1.00 0.00 C ATOM 63 C PHE A 5 -5.682 10.029 -3.607 1.00 0.00 C ATOM 64 O PHE A 5 -4.626 9.640 -4.070 1.00 0.00 O ATOM 65 CB PHE A 5 -6.281 9.714 -1.204 1.00 0.00 C ATOM 66 CG PHE A 5 -5.231 8.667 -0.920 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.160 8.964 -0.068 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.324 7.401 -1.513 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.183 7.997 0.192 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.346 6.433 -1.251 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.276 6.731 -0.398 1.00 0.00 C ATOM 0 H PHE A 5 -7.497 11.831 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.736 11.018 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.548 10.236 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.190 9.243 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.088 9.940 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.149 7.172 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.357 8.227 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.417 5.457 -1.707 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.523 5.984 -0.195 1.00 0.00 H new ATOM 81 N VAL A 6 -6.808 9.886 -4.260 1.00 0.00 N ATOM 82 CA VAL A 6 -6.819 9.239 -5.605 1.00 0.00 C ATOM 83 C VAL A 6 -6.137 10.173 -6.608 1.00 0.00 C ATOM 84 O VAL A 6 -5.493 9.733 -7.542 1.00 0.00 O ATOM 85 CB VAL A 6 -8.266 8.974 -6.041 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.279 8.252 -7.391 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.959 8.097 -4.995 1.00 0.00 C ATOM 0 H VAL A 6 -7.720 10.190 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.285 8.290 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.791 9.924 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.309 8.067 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.786 8.872 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.751 7.303 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.987 7.907 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.427 7.150 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.957 8.608 -4.032 1.00 0.00 H new ATOM 97 N ASN A 7 -6.278 11.460 -6.416 1.00 0.00 N ATOM 98 CA ASN A 7 -5.641 12.438 -7.349 1.00 0.00 C ATOM 99 C ASN A 7 -4.117 12.312 -7.271 1.00 0.00 C ATOM 100 O ASN A 7 -3.424 12.425 -8.266 1.00 0.00 O ATOM 101 CB ASN A 7 -6.056 13.854 -6.951 1.00 0.00 C ATOM 102 CG ASN A 7 -7.514 14.088 -7.348 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.408 13.442 -6.835 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.796 14.990 -8.246 1.00 0.00 N ATOM 0 H ASN A 7 -6.808 11.877 -5.651 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.965 12.231 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.934 13.992 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.413 14.584 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.765 15.153 -8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.047 15.532 -8.677 1.00 0.00 H new ATOM 111 N LYS A 8 -3.591 12.082 -6.095 1.00 0.00 N ATOM 112 CA LYS A 8 -2.109 11.950 -5.937 1.00 0.00 C ATOM 113 C LYS A 8 -1.662 10.537 -6.332 1.00 0.00 C ATOM 114 O LYS A 8 -0.519 10.319 -6.688 1.00 0.00 O ATOM 115 CB LYS A 8 -1.719 12.215 -4.477 1.00 0.00 C ATOM 116 CG LYS A 8 -2.472 11.252 -3.550 1.00 0.00 C ATOM 117 CD LYS A 8 -1.891 11.338 -2.135 1.00 0.00 C ATOM 118 CE LYS A 8 -2.445 12.577 -1.427 1.00 0.00 C ATOM 119 NZ LYS A 8 -2.684 12.266 0.012 1.00 0.00 N ATOM 0 H LYS A 8 -4.126 11.979 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.619 12.677 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.644 12.089 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.952 13.246 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.533 11.502 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.391 10.232 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.145 10.440 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.803 11.388 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.742 13.405 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.374 12.894 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.594 13.136 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.641 11.876 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.984 11.569 0.338 1.00 0.00 H new ATOM 133 N LEU A 9 -2.551 9.578 -6.267 1.00 0.00 N ATOM 134 CA LEU A 9 -2.182 8.179 -6.629 1.00 0.00 C ATOM 135 C LEU A 9 -1.985 8.070 -8.145 1.00 0.00 C ATOM 136 O LEU A 9 -1.097 7.387 -8.615 1.00 0.00 O ATOM 137 CB LEU A 9 -3.306 7.237 -6.188 1.00 0.00 C ATOM 138 CG LEU A 9 -2.833 5.788 -6.287 1.00 0.00 C ATOM 139 CD1 LEU A 9 -1.928 5.463 -5.098 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.047 4.857 -6.270 1.00 0.00 C ATOM 0 H LEU A 9 -3.520 9.706 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.253 7.905 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.602 7.464 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.185 7.386 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.277 5.649 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.591 4.429 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.064 6.128 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.483 5.600 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.713 3.822 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.600 4.997 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.694 5.088 -7.116 1.00 0.00 H new ATOM 152 N TRP A 10 -2.812 8.732 -8.911 1.00 0.00 N ATOM 153 CA TRP A 10 -2.688 8.663 -10.400 1.00 0.00 C ATOM 154 C TRP A 10 -1.409 9.377 -10.877 1.00 0.00 C ATOM 155 O TRP A 10 -1.031 9.260 -12.027 1.00 0.00 O ATOM 156 CB TRP A 10 -3.906 9.341 -11.031 1.00 0.00 C ATOM 157 CG TRP A 10 -4.988 8.336 -11.308 1.00 0.00 C ATOM 158 CD1 TRP A 10 -6.007 8.539 -12.174 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.193 6.999 -10.745 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.819 7.420 -12.188 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.362 6.445 -11.326 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.494 6.217 -9.803 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -6.817 5.171 -10.987 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -4.952 4.933 -9.462 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.110 4.413 -10.052 1.00 0.00 C ATOM 0 H TRP A 10 -3.572 9.320 -8.569 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.635 7.617 -10.700 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.284 10.115 -10.363 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.614 9.834 -11.958 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.162 9.432 -12.761 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.655 7.327 -12.766 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.600 6.608 -9.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.711 4.773 -11.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.407 4.343 -8.740 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.456 3.426 -9.784 1.00 0.00 H new ATOM 176 N SER A 11 -0.746 10.116 -10.016 1.00 0.00 N ATOM 177 CA SER A 11 0.498 10.831 -10.440 1.00 0.00 C ATOM 178 C SER A 11 1.732 10.018 -10.035 1.00 0.00 C ATOM 179 O SER A 11 2.726 9.992 -10.735 1.00 0.00 O ATOM 180 CB SER A 11 0.547 12.201 -9.763 1.00 0.00 C ATOM 181 OG SER A 11 0.487 12.031 -8.354 1.00 0.00 O ATOM 0 H SER A 11 -1.013 10.253 -9.041 1.00 0.00 H new ATOM 0 HA SER A 11 0.491 10.954 -11.523 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.463 12.723 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.286 12.817 -10.102 1.00 0.00 H new ATOM 0 HG SER A 11 0.101 11.154 -8.146 1.00 0.00 H new ATOM 187 N MET A 12 1.672 9.362 -8.908 1.00 0.00 N ATOM 188 CA MET A 12 2.833 8.550 -8.434 1.00 0.00 C ATOM 189 C MET A 12 2.927 7.249 -9.227 1.00 0.00 C ATOM 190 O MET A 12 3.958 6.914 -9.776 1.00 0.00 O ATOM 191 CB MET A 12 2.617 8.183 -6.969 1.00 0.00 C ATOM 192 CG MET A 12 3.145 9.290 -6.049 1.00 0.00 C ATOM 193 SD MET A 12 4.098 8.574 -4.670 1.00 0.00 S ATOM 194 CE MET A 12 3.025 7.157 -4.289 1.00 0.00 C ATOM 0 H MET A 12 0.862 9.353 -8.289 1.00 0.00 H new ATOM 0 HA MET A 12 3.744 9.134 -8.565 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.555 8.023 -6.782 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.125 7.245 -6.745 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.775 9.974 -6.618 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.312 9.874 -5.658 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.114 6.907 -3.232 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.990 7.413 -4.516 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.327 6.300 -4.891 1.00 0.00 H new ATOM 204 N VAL A 13 1.860 6.497 -9.248 1.00 0.00 N ATOM 205 CA VAL A 13 1.865 5.187 -9.961 1.00 0.00 C ATOM 206 C VAL A 13 2.059 5.399 -11.466 1.00 0.00 C ATOM 207 O VAL A 13 2.646 4.572 -12.141 1.00 0.00 O ATOM 208 CB VAL A 13 0.537 4.461 -9.709 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.669 3.003 -10.142 1.00 0.00 C ATOM 210 CG2 VAL A 13 0.187 4.505 -8.215 1.00 0.00 C ATOM 0 H VAL A 13 0.977 6.736 -8.797 1.00 0.00 H new ATOM 0 HA VAL A 13 2.690 4.583 -9.583 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.250 4.954 -10.280 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.273 2.484 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.913 2.959 -11.203 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.462 2.523 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.757 3.987 -8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.975 4.017 -7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.094 5.542 -7.894 1.00 0.00 H new ATOM 220 N ASN A 14 1.571 6.493 -11.998 1.00 0.00 N ATOM 221 CA ASN A 14 1.729 6.754 -13.464 1.00 0.00 C ATOM 222 C ASN A 14 3.016 7.551 -13.733 1.00 0.00 C ATOM 223 O ASN A 14 3.163 8.155 -14.779 1.00 0.00 O ATOM 224 CB ASN A 14 0.523 7.553 -13.974 1.00 0.00 C ATOM 225 CG ASN A 14 0.099 7.043 -15.357 1.00 0.00 C ATOM 226 OD1 ASN A 14 -1.071 7.056 -15.687 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.003 6.600 -16.193 1.00 0.00 N ATOM 0 H ASN A 14 1.070 7.216 -11.481 1.00 0.00 H new ATOM 0 HA ASN A 14 1.789 5.798 -13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.307 7.460 -13.274 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.776 8.612 -14.030 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.725 6.268 -17.116 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.986 6.587 -15.921 1.00 0.00 H new ATOM 234 N ASP A 15 3.944 7.559 -12.808 1.00 0.00 N ATOM 235 CA ASP A 15 5.210 8.318 -13.018 1.00 0.00 C ATOM 236 C ASP A 15 6.274 7.379 -13.590 1.00 0.00 C ATOM 237 O ASP A 15 6.591 6.360 -13.004 1.00 0.00 O ATOM 238 CB ASP A 15 5.692 8.888 -11.672 1.00 0.00 C ATOM 239 CG ASP A 15 5.650 10.419 -11.709 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.706 10.955 -12.267 1.00 0.00 O ATOM 241 OD2 ASP A 15 6.565 11.030 -11.180 1.00 0.00 O ATOM 0 H ASP A 15 3.877 7.070 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 15 5.036 9.137 -13.716 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.061 8.518 -10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.707 8.548 -11.466 1.00 0.00 H new ATOM 246 N LYS A 16 6.831 7.717 -14.725 1.00 0.00 N ATOM 247 CA LYS A 16 7.882 6.852 -15.335 1.00 0.00 C ATOM 248 C LYS A 16 9.116 6.837 -14.424 1.00 0.00 C ATOM 249 O LYS A 16 9.883 5.892 -14.422 1.00 0.00 O ATOM 250 CB LYS A 16 8.265 7.405 -16.715 1.00 0.00 C ATOM 251 CG LYS A 16 7.613 6.554 -17.813 1.00 0.00 C ATOM 252 CD LYS A 16 7.423 7.399 -19.085 1.00 0.00 C ATOM 253 CE LYS A 16 8.124 6.726 -20.271 1.00 0.00 C ATOM 254 NZ LYS A 16 9.422 7.410 -20.530 1.00 0.00 N ATOM 0 H LYS A 16 6.602 8.557 -15.256 1.00 0.00 H new ATOM 0 HA LYS A 16 7.501 5.837 -15.448 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.941 8.442 -16.805 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.349 7.399 -16.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.236 5.687 -18.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.650 6.176 -17.469 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.361 7.516 -19.299 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.829 8.399 -18.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.293 5.671 -20.057 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.491 6.775 -21.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.900 6.955 -21.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.249 8.411 -20.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.025 7.342 -19.685 1.00 0.00 H new ATOM 268 N SER A 17 9.312 7.879 -13.653 1.00 0.00 N ATOM 269 CA SER A 17 10.493 7.936 -12.740 1.00 0.00 C ATOM 270 C SER A 17 10.422 6.788 -11.729 1.00 0.00 C ATOM 271 O SER A 17 11.427 6.206 -11.370 1.00 0.00 O ATOM 272 CB SER A 17 10.491 9.270 -11.994 1.00 0.00 C ATOM 273 OG SER A 17 9.421 9.283 -11.058 1.00 0.00 O ATOM 0 H SER A 17 8.701 8.695 -13.618 1.00 0.00 H new ATOM 0 HA SER A 17 11.407 7.843 -13.326 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.441 9.414 -11.480 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.383 10.094 -12.699 1.00 0.00 H new ATOM 0 HG SER A 17 9.693 8.810 -10.244 1.00 0.00 H new ATOM 279 N ASN A 18 9.241 6.465 -11.266 1.00 0.00 N ATOM 280 CA ASN A 18 9.099 5.356 -10.270 1.00 0.00 C ATOM 281 C ASN A 18 8.431 4.155 -10.943 1.00 0.00 C ATOM 282 O ASN A 18 7.734 3.392 -10.306 1.00 0.00 O ATOM 283 CB ASN A 18 8.228 5.792 -9.071 1.00 0.00 C ATOM 284 CG ASN A 18 8.342 7.302 -8.812 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.430 7.841 -8.755 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.252 8.005 -8.653 1.00 0.00 N ATOM 0 H ASN A 18 8.368 6.920 -11.534 1.00 0.00 H new ATOM 0 HA ASN A 18 10.094 5.095 -9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.187 5.532 -9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.534 5.245 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.313 9.008 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.340 7.550 -8.701 1.00 0.00 H new ATOM 293 N GLU A 19 8.630 3.987 -12.226 1.00 0.00 N ATOM 294 CA GLU A 19 7.998 2.839 -12.944 1.00 0.00 C ATOM 295 C GLU A 19 8.590 1.520 -12.444 1.00 0.00 C ATOM 296 O GLU A 19 7.891 0.537 -12.284 1.00 0.00 O ATOM 297 CB GLU A 19 8.258 2.969 -14.445 1.00 0.00 C ATOM 298 CG GLU A 19 7.273 2.084 -15.210 1.00 0.00 C ATOM 299 CD GLU A 19 5.942 2.822 -15.373 1.00 0.00 C ATOM 300 OE1 GLU A 19 5.114 2.710 -14.484 1.00 0.00 O ATOM 301 OE2 GLU A 19 5.776 3.486 -16.382 1.00 0.00 O ATOM 0 H GLU A 19 9.204 4.597 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 19 6.925 2.849 -12.753 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.147 4.008 -14.756 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.282 2.675 -14.675 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.681 1.829 -16.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.118 1.147 -14.675 1.00 0.00 H new ATOM 308 N LYS A 20 9.875 1.492 -12.204 1.00 0.00 N ATOM 309 CA LYS A 20 10.529 0.239 -11.723 1.00 0.00 C ATOM 310 C LYS A 20 10.088 -0.082 -10.288 1.00 0.00 C ATOM 311 O LYS A 20 10.284 -1.184 -9.811 1.00 0.00 O ATOM 312 CB LYS A 20 12.047 0.418 -11.759 1.00 0.00 C ATOM 313 CG LYS A 20 12.518 0.472 -13.213 1.00 0.00 C ATOM 314 CD LYS A 20 14.044 0.576 -13.250 1.00 0.00 C ATOM 315 CE LYS A 20 14.646 -0.821 -13.416 1.00 0.00 C ATOM 316 NZ LYS A 20 16.101 -0.774 -13.106 1.00 0.00 N ATOM 0 H LYS A 20 10.503 2.287 -12.321 1.00 0.00 H new ATOM 0 HA LYS A 20 10.234 -0.585 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.329 1.334 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.534 -0.406 -11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.190 -0.420 -13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.072 1.328 -13.720 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.356 1.218 -14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.410 1.035 -12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.145 -1.526 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.492 -1.177 -14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.511 -1.723 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.573 -0.114 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.237 -0.452 -12.126 1.00 0.00 H new ATOM 330 N PHE A 21 9.502 0.866 -9.593 1.00 0.00 N ATOM 331 CA PHE A 21 9.062 0.604 -8.188 1.00 0.00 C ATOM 332 C PHE A 21 7.552 0.338 -8.152 1.00 0.00 C ATOM 333 O PHE A 21 7.047 -0.272 -7.227 1.00 0.00 O ATOM 334 CB PHE A 21 9.388 1.821 -7.310 1.00 0.00 C ATOM 335 CG PHE A 21 10.830 2.239 -7.510 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.857 1.287 -7.445 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.139 3.582 -7.764 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.189 1.678 -7.634 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.470 3.972 -7.952 1.00 0.00 C ATOM 340 CZ PHE A 21 13.494 3.021 -7.887 1.00 0.00 C ATOM 0 H PHE A 21 9.311 1.806 -9.939 1.00 0.00 H new ATOM 0 HA PHE A 21 9.589 -0.271 -7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.724 2.648 -7.561 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.214 1.579 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.621 0.251 -7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.349 4.317 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.980 0.944 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.707 5.008 -8.147 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.521 3.323 -8.032 1.00 0.00 H new ATOM 350 N ILE A 22 6.828 0.787 -9.148 1.00 0.00 N ATOM 351 CA ILE A 22 5.356 0.564 -9.173 1.00 0.00 C ATOM 352 C ILE A 22 4.852 0.683 -10.617 1.00 0.00 C ATOM 353 O ILE A 22 5.248 1.572 -11.348 1.00 0.00 O ATOM 354 CB ILE A 22 4.670 1.608 -8.278 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.155 1.373 -8.284 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.973 3.020 -8.790 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.505 2.194 -7.170 1.00 0.00 C ATOM 0 H ILE A 22 7.199 1.301 -9.947 1.00 0.00 H new ATOM 0 HA ILE A 22 5.121 -0.432 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 22 5.050 1.510 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.737 1.656 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.940 0.314 -8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.482 3.753 -8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.050 3.189 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.603 3.124 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.428 2.026 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.915 1.890 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.708 3.253 -7.332 1.00 0.00 H new ATOM 369 N HIS A 23 3.986 -0.207 -11.028 1.00 0.00 N ATOM 370 CA HIS A 23 3.455 -0.153 -12.422 1.00 0.00 C ATOM 371 C HIS A 23 2.125 -0.909 -12.493 1.00 0.00 C ATOM 372 O HIS A 23 1.740 -1.590 -11.560 1.00 0.00 O ATOM 373 CB HIS A 23 4.467 -0.799 -13.374 1.00 0.00 C ATOM 374 CG HIS A 23 4.761 -2.206 -12.925 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.304 -3.312 -13.623 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.459 -2.702 -11.851 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.728 -4.409 -12.968 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.436 -4.094 -11.881 1.00 0.00 N ATOM 0 H HIS A 23 3.623 -0.970 -10.457 1.00 0.00 H new ATOM 0 HA HIS A 23 3.294 0.885 -12.712 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.072 -0.806 -14.390 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.386 -0.214 -13.394 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.951 -2.104 -11.098 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.521 -5.421 -13.284 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.867 -4.735 -11.215 1.00 0.00 H new ATOM 386 N TRP A 24 1.429 -0.802 -13.596 1.00 0.00 N ATOM 387 CA TRP A 24 0.128 -1.520 -13.736 1.00 0.00 C ATOM 388 C TRP A 24 0.390 -2.926 -14.278 1.00 0.00 C ATOM 389 O TRP A 24 1.252 -3.125 -15.114 1.00 0.00 O ATOM 390 CB TRP A 24 -0.788 -0.761 -14.711 1.00 0.00 C ATOM 391 CG TRP A 24 -0.831 0.711 -14.392 1.00 0.00 C ATOM 392 CD1 TRP A 24 -0.476 1.285 -13.212 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.260 1.804 -15.257 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.656 2.653 -13.307 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.138 3.021 -14.546 1.00 0.00 C ATOM 396 CE3 TRP A 24 -1.736 1.855 -16.579 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -1.478 4.244 -15.125 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -2.079 3.085 -17.165 1.00 0.00 C ATOM 399 CH2 TRP A 24 -1.950 4.276 -16.439 1.00 0.00 C ATOM 0 H TRP A 24 1.706 -0.248 -14.406 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.359 -1.580 -12.763 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.433 -0.903 -15.732 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.795 -1.175 -14.663 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -0.113 0.758 -12.342 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.457 3.310 -12.553 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.839 0.943 -17.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.377 5.159 -14.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.444 3.112 -18.181 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.215 5.218 -16.895 1.00 0.00 H new ATOM 410 N SER A 25 -0.347 -3.902 -13.809 1.00 0.00 N ATOM 411 CA SER A 25 -0.146 -5.300 -14.292 1.00 0.00 C ATOM 412 C SER A 25 -0.474 -5.380 -15.783 1.00 0.00 C ATOM 413 O SER A 25 -1.172 -4.538 -16.319 1.00 0.00 O ATOM 414 CB SER A 25 -1.066 -6.245 -13.518 1.00 0.00 C ATOM 415 OG SER A 25 -2.406 -6.072 -13.965 1.00 0.00 O ATOM 0 H SER A 25 -1.081 -3.789 -13.110 1.00 0.00 H new ATOM 0 HA SER A 25 0.892 -5.591 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.752 -7.278 -13.666 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.998 -6.042 -12.449 1.00 0.00 H new ATOM 0 HG SER A 25 -2.997 -6.678 -13.471 1.00 0.00 H new ATOM 421 N THR A 26 0.022 -6.388 -16.454 1.00 0.00 N ATOM 422 CA THR A 26 -0.258 -6.534 -17.912 1.00 0.00 C ATOM 423 C THR A 26 -1.729 -6.908 -18.111 1.00 0.00 C ATOM 424 O THR A 26 -2.129 -8.032 -17.871 1.00 0.00 O ATOM 425 CB THR A 26 0.634 -7.634 -18.494 1.00 0.00 C ATOM 426 OG1 THR A 26 1.937 -7.527 -17.938 1.00 0.00 O ATOM 427 CG2 THR A 26 0.710 -7.480 -20.015 1.00 0.00 C ATOM 0 H THR A 26 0.611 -7.118 -16.052 1.00 0.00 H new ATOM 0 HA THR A 26 -0.050 -5.593 -18.421 1.00 0.00 H new ATOM 0 HB THR A 26 0.215 -8.610 -18.251 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.509 -8.231 -18.308 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.345 -8.263 -20.429 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.291 -7.562 -20.439 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.130 -6.505 -20.261 1.00 0.00 H new ATOM 435 N SER A 27 -2.535 -5.970 -18.544 1.00 0.00 N ATOM 436 CA SER A 27 -3.987 -6.253 -18.765 1.00 0.00 C ATOM 437 C SER A 27 -4.631 -6.710 -17.452 1.00 0.00 C ATOM 438 O SER A 27 -4.462 -7.838 -17.028 1.00 0.00 O ATOM 439 CB SER A 27 -4.142 -7.346 -19.823 1.00 0.00 C ATOM 440 OG SER A 27 -4.172 -6.748 -21.113 1.00 0.00 O ATOM 0 H SER A 27 -2.247 -5.014 -18.755 1.00 0.00 H new ATOM 0 HA SER A 27 -4.482 -5.345 -19.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.315 -8.053 -19.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.059 -7.910 -19.649 1.00 0.00 H new ATOM 0 HG SER A 27 -4.270 -7.445 -21.795 1.00 0.00 H new ATOM 446 N GLY A 28 -5.365 -5.838 -16.808 1.00 0.00 N ATOM 447 CA GLY A 28 -6.023 -6.211 -15.520 1.00 0.00 C ATOM 448 C GLY A 28 -6.267 -4.958 -14.669 1.00 0.00 C ATOM 449 O GLY A 28 -7.117 -4.955 -13.800 1.00 0.00 O ATOM 0 H GLY A 28 -5.537 -4.882 -17.120 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.969 -6.715 -15.719 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.396 -6.915 -14.973 1.00 0.00 H new ATOM 453 N GLU A 29 -5.524 -3.900 -14.901 1.00 0.00 N ATOM 454 CA GLU A 29 -5.707 -2.649 -14.102 1.00 0.00 C ATOM 455 C GLU A 29 -5.445 -2.943 -12.620 1.00 0.00 C ATOM 456 O GLU A 29 -6.316 -2.804 -11.781 1.00 0.00 O ATOM 457 CB GLU A 29 -7.133 -2.115 -14.287 1.00 0.00 C ATOM 458 CG GLU A 29 -7.341 -1.705 -15.751 1.00 0.00 C ATOM 459 CD GLU A 29 -8.734 -2.136 -16.214 1.00 0.00 C ATOM 460 OE1 GLU A 29 -9.020 -3.320 -16.146 1.00 0.00 O ATOM 461 OE2 GLU A 29 -9.490 -1.274 -16.631 1.00 0.00 O ATOM 0 H GLU A 29 -4.796 -3.851 -15.613 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.001 -1.894 -14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.858 -2.879 -14.006 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.300 -1.260 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.230 -0.626 -15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.579 -2.166 -16.380 1.00 0.00 H new ATOM 468 N SER A 30 -4.243 -3.349 -12.300 1.00 0.00 N ATOM 469 CA SER A 30 -3.899 -3.655 -10.883 1.00 0.00 C ATOM 470 C SER A 30 -2.572 -2.978 -10.533 1.00 0.00 C ATOM 471 O SER A 30 -1.844 -2.541 -11.404 1.00 0.00 O ATOM 472 CB SER A 30 -3.766 -5.168 -10.708 1.00 0.00 C ATOM 473 OG SER A 30 -5.058 -5.758 -10.739 1.00 0.00 O ATOM 0 H SER A 30 -3.482 -3.482 -12.966 1.00 0.00 H new ATOM 0 HA SER A 30 -4.684 -3.284 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.144 -5.584 -11.500 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.272 -5.395 -9.763 1.00 0.00 H new ATOM 0 HG SER A 30 -4.972 -6.729 -10.838 1.00 0.00 H new ATOM 479 N ILE A 31 -2.254 -2.885 -9.267 1.00 0.00 N ATOM 480 CA ILE A 31 -0.974 -2.231 -8.860 1.00 0.00 C ATOM 481 C ILE A 31 0.028 -3.300 -8.419 1.00 0.00 C ATOM 482 O ILE A 31 -0.037 -3.808 -7.315 1.00 0.00 O ATOM 483 CB ILE A 31 -1.235 -1.261 -7.704 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.374 -0.309 -8.091 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.039 -0.455 -7.406 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.730 0.578 -6.898 1.00 0.00 C ATOM 0 H ILE A 31 -2.826 -3.234 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.565 -1.679 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.517 -1.822 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.074 0.307 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.247 -0.880 -8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.151 0.234 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.844 -1.136 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.328 0.109 -8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.539 1.253 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.048 -0.046 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.857 1.160 -6.604 1.00 0.00 H new ATOM 498 N VAL A 32 0.950 -3.641 -9.280 1.00 0.00 N ATOM 499 CA VAL A 32 1.965 -4.678 -8.931 1.00 0.00 C ATOM 500 C VAL A 32 3.179 -4.009 -8.285 1.00 0.00 C ATOM 501 O VAL A 32 3.821 -3.161 -8.877 1.00 0.00 O ATOM 502 CB VAL A 32 2.399 -5.409 -10.203 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.328 -6.568 -9.839 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.164 -5.955 -10.923 1.00 0.00 C ATOM 0 H VAL A 32 1.044 -3.244 -10.215 1.00 0.00 H new ATOM 0 HA VAL A 32 1.532 -5.392 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 32 2.926 -4.714 -10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.635 -7.087 -10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.209 -6.181 -9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.803 -7.263 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.472 -6.476 -11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.637 -6.648 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.502 -5.130 -11.186 1.00 0.00 H new ATOM 514 N VAL A 33 3.496 -4.386 -7.072 1.00 0.00 N ATOM 515 CA VAL A 33 4.670 -3.782 -6.376 1.00 0.00 C ATOM 516 C VAL A 33 5.800 -4.816 -6.285 1.00 0.00 C ATOM 517 O VAL A 33 5.836 -5.604 -5.359 1.00 0.00 O ATOM 518 CB VAL A 33 4.253 -3.342 -4.967 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.439 -2.689 -4.243 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.109 -2.332 -5.075 1.00 0.00 C ATOM 0 H VAL A 33 2.990 -5.089 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 33 5.022 -2.916 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 33 3.929 -4.215 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.131 -2.381 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.257 -3.405 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.773 -1.817 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.808 -2.015 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.442 -1.465 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.261 -2.795 -5.580 1.00 0.00 H new ATOM 530 N PRO A 34 6.696 -4.775 -7.249 1.00 0.00 N ATOM 531 CA PRO A 34 7.818 -5.743 -7.207 1.00 0.00 C ATOM 532 C PRO A 34 8.816 -5.336 -6.122 1.00 0.00 C ATOM 533 O PRO A 34 9.252 -6.151 -5.331 1.00 0.00 O ATOM 534 CB PRO A 34 8.460 -5.656 -8.593 1.00 0.00 C ATOM 535 CG PRO A 34 8.073 -4.282 -9.163 1.00 0.00 C ATOM 536 CD PRO A 34 6.828 -3.822 -8.387 1.00 0.00 C ATOM 0 HA PRO A 34 7.491 -6.756 -6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.543 -5.758 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.103 -6.459 -9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.889 -3.569 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.862 -4.350 -10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.943 -2.798 -8.031 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.941 -3.841 -9.020 1.00 0.00 H new ATOM 544 N ASN A 35 9.176 -4.079 -6.079 1.00 0.00 N ATOM 545 CA ASN A 35 10.143 -3.604 -5.047 1.00 0.00 C ATOM 546 C ASN A 35 9.397 -2.776 -3.995 1.00 0.00 C ATOM 547 O ASN A 35 9.548 -1.571 -3.916 1.00 0.00 O ATOM 548 CB ASN A 35 11.220 -2.742 -5.715 1.00 0.00 C ATOM 549 CG ASN A 35 12.286 -3.636 -6.358 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.133 -4.840 -6.428 1.00 0.00 O ATOM 551 ND2 ASN A 35 13.368 -3.088 -6.836 1.00 0.00 N ATOM 0 H ASN A 35 8.840 -3.359 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 35 10.615 -4.460 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.767 -2.102 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.681 -2.086 -4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.086 -3.669 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.497 -2.078 -6.777 1.00 0.00 H new ATOM 558 N ARG A 36 8.594 -3.419 -3.186 1.00 0.00 N ATOM 559 CA ARG A 36 7.833 -2.683 -2.134 1.00 0.00 C ATOM 560 C ARG A 36 8.809 -2.031 -1.150 1.00 0.00 C ATOM 561 O ARG A 36 8.501 -1.030 -0.531 1.00 0.00 O ATOM 562 CB ARG A 36 6.937 -3.668 -1.378 1.00 0.00 C ATOM 563 CG ARG A 36 5.818 -2.903 -0.667 1.00 0.00 C ATOM 564 CD ARG A 36 6.262 -2.555 0.756 1.00 0.00 C ATOM 565 NE ARG A 36 5.800 -3.612 1.696 1.00 0.00 N ATOM 566 CZ ARG A 36 6.545 -3.947 2.714 1.00 0.00 C ATOM 567 NH1 ARG A 36 7.661 -4.593 2.521 1.00 0.00 N ATOM 568 NH2 ARG A 36 6.174 -3.631 3.925 1.00 0.00 N ATOM 0 H ARG A 36 8.433 -4.426 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 36 7.223 -1.911 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.512 -4.394 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.527 -4.228 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.578 -1.993 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.911 -3.507 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.348 -2.467 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.852 -1.589 1.050 1.00 0.00 H new ATOM 0 HE ARG A 36 4.903 -4.074 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.952 -4.837 1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.243 -4.855 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.303 -3.123 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.756 -3.892 4.721 1.00 0.00 H new ATOM 582 N GLU A 37 9.975 -2.601 -0.992 1.00 0.00 N ATOM 583 CA GLU A 37 10.975 -2.034 -0.037 1.00 0.00 C ATOM 584 C GLU A 37 11.483 -0.680 -0.544 1.00 0.00 C ATOM 585 O GLU A 37 11.219 0.351 0.046 1.00 0.00 O ATOM 586 CB GLU A 37 12.151 -3.006 0.097 1.00 0.00 C ATOM 587 CG GLU A 37 13.113 -2.509 1.181 1.00 0.00 C ATOM 588 CD GLU A 37 13.633 -3.699 1.991 1.00 0.00 C ATOM 589 OE1 GLU A 37 14.384 -4.485 1.437 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.272 -3.804 3.152 1.00 0.00 O ATOM 0 H GLU A 37 10.280 -3.440 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 37 10.501 -1.890 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.785 -4.001 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.674 -3.092 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.946 -1.975 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.604 -1.804 1.838 1.00 0.00 H new ATOM 597 N ARG A 38 12.221 -0.676 -1.627 1.00 0.00 N ATOM 598 CA ARG A 38 12.766 0.607 -2.176 1.00 0.00 C ATOM 599 C ARG A 38 11.625 1.601 -2.444 1.00 0.00 C ATOM 600 O ARG A 38 11.823 2.801 -2.431 1.00 0.00 O ATOM 601 CB ARG A 38 13.518 0.315 -3.486 1.00 0.00 C ATOM 602 CG ARG A 38 14.990 0.727 -3.347 1.00 0.00 C ATOM 603 CD ARG A 38 15.837 -0.488 -2.950 1.00 0.00 C ATOM 604 NE ARG A 38 16.719 -0.870 -4.089 1.00 0.00 N ATOM 605 CZ ARG A 38 17.695 -1.717 -3.905 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.520 -1.556 -2.906 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.845 -2.725 -4.719 1.00 0.00 N ATOM 0 H ARG A 38 12.471 -1.510 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 38 13.447 1.048 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.450 -0.746 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.055 0.859 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.351 1.141 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.088 1.511 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.439 -0.254 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.191 -1.323 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 38 16.560 -0.469 -5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.402 -0.768 -2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.283 -2.218 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.200 -2.851 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.608 -3.387 -4.576 1.00 0.00 H new ATOM 621 N PHE A 39 10.439 1.107 -2.689 1.00 0.00 N ATOM 622 CA PHE A 39 9.283 2.013 -2.963 1.00 0.00 C ATOM 623 C PHE A 39 8.954 2.830 -1.706 1.00 0.00 C ATOM 624 O PHE A 39 8.829 4.037 -1.758 1.00 0.00 O ATOM 625 CB PHE A 39 8.064 1.166 -3.371 1.00 0.00 C ATOM 626 CG PHE A 39 6.840 2.046 -3.546 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.102 2.438 -2.421 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.446 2.465 -4.823 1.00 0.00 C ATOM 629 CE1 PHE A 39 4.971 3.249 -2.572 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.314 3.276 -4.974 1.00 0.00 C ATOM 631 CZ PHE A 39 4.577 3.668 -3.849 1.00 0.00 C ATOM 0 H PHE A 39 10.220 0.111 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 39 9.538 2.698 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.275 0.638 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.869 0.409 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.406 2.114 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.014 2.163 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.403 3.551 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.009 3.599 -5.958 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.705 4.294 -3.966 1.00 0.00 H new ATOM 641 N VAL A 40 8.781 2.180 -0.590 1.00 0.00 N ATOM 642 CA VAL A 40 8.431 2.925 0.651 1.00 0.00 C ATOM 643 C VAL A 40 9.639 3.742 1.121 1.00 0.00 C ATOM 644 O VAL A 40 9.592 4.954 1.213 1.00 0.00 O ATOM 645 CB VAL A 40 8.018 1.930 1.744 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.613 2.688 3.011 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.827 1.105 1.256 1.00 0.00 C ATOM 0 H VAL A 40 8.866 1.169 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 40 7.601 3.602 0.447 1.00 0.00 H new ATOM 0 HB VAL A 40 8.860 1.274 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.321 1.976 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.456 3.282 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.773 3.347 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.532 0.398 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.991 1.769 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.107 0.560 0.355 1.00 0.00 H new ATOM 657 N GLN A 41 10.704 3.066 1.436 1.00 0.00 N ATOM 658 CA GLN A 41 11.937 3.744 1.944 1.00 0.00 C ATOM 659 C GLN A 41 12.419 4.876 1.019 1.00 0.00 C ATOM 660 O GLN A 41 13.138 5.754 1.460 1.00 0.00 O ATOM 661 CB GLN A 41 13.055 2.703 2.073 1.00 0.00 C ATOM 662 CG GLN A 41 12.649 1.631 3.087 1.00 0.00 C ATOM 663 CD GLN A 41 13.783 0.612 3.238 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.531 0.378 2.309 1.00 0.00 O ATOM 665 NE2 GLN A 41 13.943 -0.008 4.376 1.00 0.00 N ATOM 0 H GLN A 41 10.779 2.051 1.363 1.00 0.00 H new ATOM 0 HA GLN A 41 11.691 4.191 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.251 2.244 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.979 3.186 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.429 2.092 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.738 1.131 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.316 0.188 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.695 -0.688 4.485 1.00 0.00 H new ATOM 674 N GLU A 42 12.074 4.863 -0.251 1.00 0.00 N ATOM 675 CA GLU A 42 12.579 5.948 -1.162 1.00 0.00 C ATOM 676 C GLU A 42 11.440 6.661 -1.896 1.00 0.00 C ATOM 677 O GLU A 42 11.393 7.877 -1.938 1.00 0.00 O ATOM 678 CB GLU A 42 13.520 5.335 -2.202 1.00 0.00 C ATOM 679 CG GLU A 42 14.621 4.528 -1.502 1.00 0.00 C ATOM 680 CD GLU A 42 15.967 5.241 -1.660 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.442 5.329 -2.780 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.498 5.689 -0.656 1.00 0.00 O ATOM 0 H GLU A 42 11.476 4.163 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 42 13.098 6.681 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.958 4.690 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.965 6.122 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.383 4.411 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.677 3.526 -1.928 1.00 0.00 H new ATOM 689 N VAL A 43 10.557 5.926 -2.514 1.00 0.00 N ATOM 690 CA VAL A 43 9.453 6.574 -3.291 1.00 0.00 C ATOM 691 C VAL A 43 8.326 7.077 -2.372 1.00 0.00 C ATOM 692 O VAL A 43 7.393 7.701 -2.843 1.00 0.00 O ATOM 693 CB VAL A 43 8.881 5.574 -4.305 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.893 6.291 -5.227 1.00 0.00 C ATOM 695 CG2 VAL A 43 10.023 4.991 -5.145 1.00 0.00 C ATOM 0 H VAL A 43 10.549 4.906 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 43 9.872 7.436 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 43 8.369 4.772 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.487 5.581 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.081 6.711 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.407 7.093 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.618 4.280 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.532 5.796 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.732 4.482 -4.492 1.00 0.00 H new ATOM 705 N LEU A 44 8.385 6.828 -1.078 1.00 0.00 N ATOM 706 CA LEU A 44 7.284 7.325 -0.186 1.00 0.00 C ATOM 707 C LEU A 44 7.585 8.751 0.305 1.00 0.00 C ATOM 708 O LEU A 44 6.768 9.635 0.125 1.00 0.00 O ATOM 709 CB LEU A 44 7.103 6.391 1.013 1.00 0.00 C ATOM 710 CG LEU A 44 5.836 6.780 1.774 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.613 6.249 1.027 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.879 6.173 3.177 1.00 0.00 C ATOM 0 H LEU A 44 9.132 6.313 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 44 6.361 7.341 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.034 5.357 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.970 6.454 1.671 1.00 0.00 H new ATOM 0 HG LEU A 44 5.774 7.866 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.708 6.525 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.583 6.679 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.675 5.163 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.976 6.450 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.939 5.087 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.753 6.549 3.709 1.00 0.00 H new ATOM 724 N PRO A 45 8.738 8.940 0.915 1.00 0.00 N ATOM 725 CA PRO A 45 9.051 10.305 1.411 1.00 0.00 C ATOM 726 C PRO A 45 9.267 11.283 0.245 1.00 0.00 C ATOM 727 O PRO A 45 9.308 12.483 0.439 1.00 0.00 O ATOM 728 CB PRO A 45 10.346 10.142 2.206 1.00 0.00 C ATOM 729 CG PRO A 45 11.025 8.872 1.670 1.00 0.00 C ATOM 730 CD PRO A 45 9.934 8.055 0.962 1.00 0.00 C ATOM 0 HA PRO A 45 8.237 10.713 2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.992 11.011 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.139 10.051 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.829 9.125 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.472 8.299 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.249 7.768 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.719 7.134 1.505 1.00 0.00 H new ATOM 738 N LYS A 46 9.419 10.783 -0.959 1.00 0.00 N ATOM 739 CA LYS A 46 9.647 11.685 -2.127 1.00 0.00 C ATOM 740 C LYS A 46 8.352 12.419 -2.518 1.00 0.00 C ATOM 741 O LYS A 46 8.368 13.270 -3.389 1.00 0.00 O ATOM 742 CB LYS A 46 10.142 10.848 -3.315 1.00 0.00 C ATOM 743 CG LYS A 46 11.329 11.549 -3.985 1.00 0.00 C ATOM 744 CD LYS A 46 12.647 11.032 -3.387 1.00 0.00 C ATOM 745 CE LYS A 46 13.398 12.180 -2.705 1.00 0.00 C ATOM 746 NZ LYS A 46 14.320 12.820 -3.685 1.00 0.00 N ATOM 0 H LYS A 46 9.395 9.788 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 46 10.393 12.432 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.439 9.856 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.336 10.710 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.311 11.367 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.253 12.627 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.443 10.241 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.266 10.597 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.690 12.915 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.961 11.804 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.831 13.600 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.003 12.116 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.771 13.192 -4.486 1.00 0.00 H new ATOM 760 N TYR A 47 7.237 12.105 -1.897 1.00 0.00 N ATOM 761 CA TYR A 47 5.962 12.796 -2.260 1.00 0.00 C ATOM 762 C TYR A 47 5.215 13.218 -0.992 1.00 0.00 C ATOM 763 O TYR A 47 4.754 14.340 -0.882 1.00 0.00 O ATOM 764 CB TYR A 47 5.089 11.846 -3.081 1.00 0.00 C ATOM 765 CG TYR A 47 5.695 11.675 -4.453 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.780 10.809 -4.636 1.00 0.00 C ATOM 767 CD2 TYR A 47 5.175 12.385 -5.542 1.00 0.00 C ATOM 768 CE1 TYR A 47 7.345 10.652 -5.908 1.00 0.00 C ATOM 769 CE2 TYR A 47 5.739 12.227 -6.814 1.00 0.00 C ATOM 770 CZ TYR A 47 6.825 11.361 -6.997 1.00 0.00 C ATOM 771 OH TYR A 47 7.380 11.206 -8.251 1.00 0.00 O ATOM 0 H TYR A 47 7.158 11.405 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 47 6.189 13.685 -2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.012 10.880 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.077 12.243 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.181 10.262 -3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.339 13.054 -5.401 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.182 9.984 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.337 12.773 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 47 6.666 11.146 -8.920 1.00 0.00 H new ATOM 781 N PHE A 48 5.090 12.332 -0.037 1.00 0.00 N ATOM 782 CA PHE A 48 4.372 12.681 1.225 1.00 0.00 C ATOM 783 C PHE A 48 5.343 13.359 2.195 1.00 0.00 C ATOM 784 O PHE A 48 6.538 13.391 1.966 1.00 0.00 O ATOM 785 CB PHE A 48 3.818 11.406 1.866 1.00 0.00 C ATOM 786 CG PHE A 48 2.927 10.694 0.876 1.00 0.00 C ATOM 787 CD1 PHE A 48 1.599 11.105 0.708 1.00 0.00 C ATOM 788 CD2 PHE A 48 3.430 9.624 0.128 1.00 0.00 C ATOM 789 CE1 PHE A 48 0.775 10.443 -0.210 1.00 0.00 C ATOM 790 CE2 PHE A 48 2.606 8.963 -0.790 1.00 0.00 C ATOM 791 CZ PHE A 48 1.278 9.372 -0.959 1.00 0.00 C ATOM 0 H PHE A 48 5.455 11.380 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 48 3.551 13.361 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.636 10.754 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.255 11.653 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.211 11.931 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.454 9.308 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.250 10.759 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.995 8.138 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.642 8.862 -1.667 1.00 0.00 H new ATOM 801 N LYS A 49 4.836 13.900 3.276 1.00 0.00 N ATOM 802 CA LYS A 49 5.724 14.578 4.266 1.00 0.00 C ATOM 803 C LYS A 49 6.240 13.550 5.274 1.00 0.00 C ATOM 804 O LYS A 49 7.430 13.319 5.382 1.00 0.00 O ATOM 805 CB LYS A 49 4.936 15.662 5.007 1.00 0.00 C ATOM 806 CG LYS A 49 4.478 16.733 4.015 1.00 0.00 C ATOM 807 CD LYS A 49 3.158 16.304 3.362 1.00 0.00 C ATOM 808 CE LYS A 49 2.200 17.497 3.303 1.00 0.00 C ATOM 809 NZ LYS A 49 1.669 17.775 4.668 1.00 0.00 N ATOM 0 H LYS A 49 3.844 13.900 3.514 1.00 0.00 H new ATOM 0 HA LYS A 49 6.565 15.034 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.073 15.221 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.557 16.112 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.348 17.686 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.240 16.884 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.344 15.925 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.707 15.491 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.718 18.375 2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.379 17.285 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.803 18.346 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.452 16.877 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.381 18.296 5.218 1.00 0.00 H new ATOM 823 N HIS A 50 5.353 12.932 6.010 1.00 0.00 N ATOM 824 CA HIS A 50 5.782 11.915 7.014 1.00 0.00 C ATOM 825 C HIS A 50 4.754 10.780 7.062 1.00 0.00 C ATOM 826 O HIS A 50 4.358 10.330 8.122 1.00 0.00 O ATOM 827 CB HIS A 50 5.893 12.573 8.391 1.00 0.00 C ATOM 828 CG HIS A 50 7.183 13.342 8.472 1.00 0.00 C ATOM 829 ND1 HIS A 50 8.245 12.926 9.258 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.595 14.504 7.870 1.00 0.00 C ATOM 831 CE1 HIS A 50 9.236 13.823 9.109 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.892 14.807 8.273 1.00 0.00 N ATOM 0 H HIS A 50 4.346 13.089 5.958 1.00 0.00 H new ATOM 0 HA HIS A 50 6.753 11.509 6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.047 13.240 8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.859 11.814 9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.002 15.094 7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.193 13.756 9.605 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.458 15.607 7.991 1.00 0.00 H new ATOM 840 N SER A 51 4.326 10.315 5.917 1.00 0.00 N ATOM 841 CA SER A 51 3.328 9.206 5.878 1.00 0.00 C ATOM 842 C SER A 51 4.055 7.869 6.046 1.00 0.00 C ATOM 843 O SER A 51 5.271 7.817 6.082 1.00 0.00 O ATOM 844 CB SER A 51 2.592 9.231 4.535 1.00 0.00 C ATOM 845 OG SER A 51 1.214 8.958 4.751 1.00 0.00 O ATOM 0 H SER A 51 4.626 10.657 5.004 1.00 0.00 H new ATOM 0 HA SER A 51 2.606 9.330 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.712 10.204 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.020 8.491 3.859 1.00 0.00 H new ATOM 0 HG SER A 51 0.739 8.975 3.894 1.00 0.00 H new ATOM 851 N ASN A 52 3.323 6.788 6.147 1.00 0.00 N ATOM 852 CA ASN A 52 3.971 5.453 6.309 1.00 0.00 C ATOM 853 C ASN A 52 3.164 4.396 5.550 1.00 0.00 C ATOM 854 O ASN A 52 2.014 4.604 5.215 1.00 0.00 O ATOM 855 CB ASN A 52 4.037 5.089 7.798 1.00 0.00 C ATOM 856 CG ASN A 52 2.624 5.056 8.401 1.00 0.00 C ATOM 857 OD1 ASN A 52 1.760 5.802 7.988 1.00 0.00 O ATOM 858 ND2 ASN A 52 2.348 4.216 9.368 1.00 0.00 N ATOM 0 H ASN A 52 2.303 6.774 6.124 1.00 0.00 H new ATOM 0 HA ASN A 52 4.983 5.490 5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.515 4.117 7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.650 5.816 8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.411 4.191 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.070 3.587 9.719 1.00 0.00 H new ATOM 865 N PHE A 53 3.767 3.264 5.268 1.00 0.00 N ATOM 866 CA PHE A 53 3.056 2.179 4.522 1.00 0.00 C ATOM 867 C PHE A 53 1.685 1.888 5.154 1.00 0.00 C ATOM 868 O PHE A 53 0.728 1.605 4.465 1.00 0.00 O ATOM 869 CB PHE A 53 3.907 0.906 4.558 1.00 0.00 C ATOM 870 CG PHE A 53 4.183 0.514 5.994 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.292 -0.326 6.670 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.327 0.991 6.646 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.543 -0.691 7.998 1.00 0.00 C ATOM 874 CE2 PHE A 53 5.579 0.626 7.976 1.00 0.00 C ATOM 875 CZ PHE A 53 4.686 -0.215 8.651 1.00 0.00 C ATOM 0 H PHE A 53 4.729 3.045 5.526 1.00 0.00 H new ATOM 0 HA PHE A 53 2.903 2.505 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.389 0.097 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.846 1.070 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.410 -0.693 6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.015 1.640 6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.855 -1.340 8.519 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.461 0.993 8.479 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.879 -0.497 9.676 1.00 0.00 H new ATOM 885 N ALA A 54 1.595 1.948 6.458 1.00 0.00 N ATOM 886 CA ALA A 54 0.296 1.664 7.145 1.00 0.00 C ATOM 887 C ALA A 54 -0.780 2.655 6.682 1.00 0.00 C ATOM 888 O ALA A 54 -1.903 2.275 6.400 1.00 0.00 O ATOM 889 CB ALA A 54 0.486 1.793 8.659 1.00 0.00 C ATOM 0 H ALA A 54 2.368 2.182 7.080 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.024 0.653 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.458 1.587 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.239 1.079 8.993 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.812 2.805 8.900 1.00 0.00 H new ATOM 895 N SER A 55 -0.450 3.919 6.617 1.00 0.00 N ATOM 896 CA SER A 55 -1.454 4.942 6.191 1.00 0.00 C ATOM 897 C SER A 55 -1.790 4.780 4.705 1.00 0.00 C ATOM 898 O SER A 55 -2.867 5.139 4.264 1.00 0.00 O ATOM 899 CB SER A 55 -0.880 6.340 6.426 1.00 0.00 C ATOM 900 OG SER A 55 -0.796 6.582 7.824 1.00 0.00 O ATOM 0 H SER A 55 0.474 4.289 6.841 1.00 0.00 H new ATOM 0 HA SER A 55 -2.364 4.805 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.107 6.422 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.513 7.090 5.952 1.00 0.00 H new ATOM 0 HG SER A 55 0.141 6.542 8.107 1.00 0.00 H new ATOM 906 N PHE A 56 -0.877 4.255 3.930 1.00 0.00 N ATOM 907 CA PHE A 56 -1.136 4.083 2.468 1.00 0.00 C ATOM 908 C PHE A 56 -2.139 2.947 2.240 1.00 0.00 C ATOM 909 O PHE A 56 -3.006 3.036 1.388 1.00 0.00 O ATOM 910 CB PHE A 56 0.178 3.757 1.756 1.00 0.00 C ATOM 911 CG PHE A 56 0.108 4.237 0.327 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.652 3.531 -0.614 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.802 5.389 -0.058 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.717 3.978 -1.939 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.738 5.837 -1.382 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.021 5.132 -2.322 1.00 0.00 C ATOM 0 H PHE A 56 0.039 3.937 4.247 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.552 5.007 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.011 4.235 2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.361 2.683 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.188 2.642 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.388 5.933 0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.303 3.434 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.274 6.727 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.071 5.478 -3.344 1.00 0.00 H new ATOM 926 N VAL A 57 -2.026 1.880 2.989 1.00 0.00 N ATOM 927 CA VAL A 57 -2.964 0.732 2.815 1.00 0.00 C ATOM 928 C VAL A 57 -4.364 1.127 3.295 1.00 0.00 C ATOM 929 O VAL A 57 -5.356 0.745 2.704 1.00 0.00 O ATOM 930 CB VAL A 57 -2.453 -0.468 3.622 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.372 -1.674 3.405 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.041 -0.827 3.157 1.00 0.00 C ATOM 0 H VAL A 57 -1.322 1.755 3.716 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.017 0.462 1.760 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.442 -0.207 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.002 -2.522 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.382 -1.426 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.387 -1.934 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.675 -1.680 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.061 -1.082 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.379 0.025 3.313 1.00 0.00 H new ATOM 942 N ARG A 58 -4.454 1.881 4.363 1.00 0.00 N ATOM 943 CA ARG A 58 -5.795 2.289 4.879 1.00 0.00 C ATOM 944 C ARG A 58 -6.443 3.293 3.919 1.00 0.00 C ATOM 945 O ARG A 58 -7.654 3.347 3.794 1.00 0.00 O ATOM 946 CB ARG A 58 -5.643 2.934 6.258 1.00 0.00 C ATOM 947 CG ARG A 58 -6.957 2.792 7.028 1.00 0.00 C ATOM 948 CD ARG A 58 -6.947 1.484 7.820 1.00 0.00 C ATOM 949 NE ARG A 58 -7.555 0.399 6.999 1.00 0.00 N ATOM 950 CZ ARG A 58 -7.553 -0.831 7.437 1.00 0.00 C ATOM 951 NH1 ARG A 58 -6.462 -1.341 7.941 1.00 0.00 N ATOM 952 NH2 ARG A 58 -8.639 -1.551 7.369 1.00 0.00 N ATOM 0 H ARG A 58 -3.659 2.230 4.898 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.427 1.405 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.832 2.457 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.381 3.987 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.088 3.637 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.799 2.804 6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.925 1.219 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.503 1.606 8.750 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.973 0.617 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.613 -0.779 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.459 -2.302 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.491 -1.153 6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.636 -2.512 7.711 1.00 0.00 H new ATOM 966 N GLN A 59 -5.650 4.089 3.247 1.00 0.00 N ATOM 967 CA GLN A 59 -6.221 5.095 2.301 1.00 0.00 C ATOM 968 C GLN A 59 -6.780 4.389 1.061 1.00 0.00 C ATOM 969 O GLN A 59 -7.787 4.795 0.511 1.00 0.00 O ATOM 970 CB GLN A 59 -5.129 6.079 1.872 1.00 0.00 C ATOM 971 CG GLN A 59 -4.889 7.109 2.981 1.00 0.00 C ATOM 972 CD GLN A 59 -6.152 7.949 3.191 1.00 0.00 C ATOM 973 OE1 GLN A 59 -6.583 8.146 4.309 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.764 8.457 2.158 1.00 0.00 N ATOM 0 H GLN A 59 -4.632 4.086 3.313 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.024 5.635 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.206 5.540 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.424 6.584 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.620 6.603 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.052 7.755 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.402 8.292 1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.605 9.020 2.289 1.00 0.00 H new ATOM 983 N LEU A 60 -6.129 3.345 0.612 1.00 0.00 N ATOM 984 CA LEU A 60 -6.614 2.619 -0.601 1.00 0.00 C ATOM 985 C LEU A 60 -7.895 1.847 -0.280 1.00 0.00 C ATOM 986 O LEU A 60 -8.852 1.890 -1.024 1.00 0.00 O ATOM 987 CB LEU A 60 -5.544 1.636 -1.077 1.00 0.00 C ATOM 988 CG LEU A 60 -4.238 2.383 -1.343 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.077 1.389 -1.340 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.313 3.074 -2.707 1.00 0.00 C ATOM 0 H LEU A 60 -5.282 2.964 1.034 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.820 3.349 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.385 0.864 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.877 1.133 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.081 3.131 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.144 1.919 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.023 0.895 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.235 0.643 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.381 3.607 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.469 2.327 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.143 3.781 -2.712 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.910 1.125 0.811 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.117 0.325 1.177 1.00 0.00 C ATOM 1004 C ASN A 61 -10.266 1.242 1.616 1.00 0.00 C ATOM 1005 O ASN A 61 -11.418 0.848 1.600 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.763 -0.621 2.326 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.175 -1.913 1.756 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -8.591 -2.995 2.119 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -7.219 -1.843 0.872 1.00 0.00 N ATOM 0 H ASN A 61 -7.133 1.055 1.468 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.437 -0.243 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.046 -0.146 2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.652 -0.842 2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.819 -2.698 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.871 -0.934 0.568 1.00 0.00 H new ATOM 1016 N MET A 62 -9.967 2.452 2.021 1.00 0.00 N ATOM 1017 CA MET A 62 -11.046 3.381 2.474 1.00 0.00 C ATOM 1018 C MET A 62 -11.844 3.911 1.274 1.00 0.00 C ATOM 1019 O MET A 62 -12.962 4.369 1.425 1.00 0.00 O ATOM 1020 CB MET A 62 -10.417 4.561 3.223 1.00 0.00 C ATOM 1021 CG MET A 62 -11.518 5.450 3.811 1.00 0.00 C ATOM 1022 SD MET A 62 -12.412 4.542 5.097 1.00 0.00 S ATOM 1023 CE MET A 62 -13.960 5.476 5.003 1.00 0.00 C ATOM 0 H MET A 62 -9.022 2.835 2.057 1.00 0.00 H new ATOM 0 HA MET A 62 -11.723 2.836 3.132 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.769 4.194 4.019 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.791 5.142 2.545 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.082 6.357 4.229 1.00 0.00 H new ATOM 0 HG3 MET A 62 -12.207 5.760 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.670 5.077 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 62 -13.766 6.525 5.226 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.377 5.389 4.000 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.282 3.868 0.091 1.00 0.00 N ATOM 1034 CA TYR A 63 -12.014 4.388 -1.102 1.00 0.00 C ATOM 1035 C TYR A 63 -12.571 3.230 -1.934 1.00 0.00 C ATOM 1036 O TYR A 63 -13.701 3.272 -2.384 1.00 0.00 O ATOM 1037 CB TYR A 63 -11.057 5.224 -1.952 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.706 6.484 -1.199 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.719 7.363 -0.797 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.369 6.771 -0.900 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.395 8.530 -0.097 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -9.045 7.940 -0.200 1.00 0.00 C ATOM 1043 CZ TYR A 63 -10.058 8.820 0.202 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.738 9.971 0.892 1.00 0.00 O ATOM 0 H TYR A 63 -10.351 3.496 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.848 5.006 -0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.155 4.654 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.520 5.472 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.750 7.140 -1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.588 6.092 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.177 9.208 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.014 8.163 0.030 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.478 10.211 1.489 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.790 2.203 -2.143 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.271 1.042 -2.947 1.00 0.00 C ATOM 1056 C GLY A 64 -11.073 0.268 -3.501 1.00 0.00 C ATOM 1057 O GLY A 64 -10.756 0.355 -4.673 1.00 0.00 O ATOM 0 H GLY A 64 -10.837 2.118 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.884 0.388 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.902 1.390 -3.765 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.412 -0.492 -2.668 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.236 -1.284 -3.133 1.00 0.00 C ATOM 1063 C TRP A 65 -9.079 -2.513 -2.237 1.00 0.00 C ATOM 1064 O TRP A 65 -9.036 -2.401 -1.026 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.971 -0.425 -3.047 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.917 0.509 -4.212 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.386 1.779 -4.217 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.366 0.272 -5.539 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -8.157 2.336 -5.463 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.531 1.446 -6.313 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.745 -0.836 -6.142 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.095 1.516 -7.637 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.305 -0.769 -7.474 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.480 0.405 -8.220 1.00 0.00 C ATOM 0 H TRP A 65 -10.638 -0.598 -1.679 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.388 -1.596 -4.166 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.966 0.140 -2.115 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.087 -1.062 -3.038 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.861 2.276 -3.384 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.419 3.287 -5.722 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.605 -1.745 -5.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.232 2.423 -8.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.829 -1.627 -7.926 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.140 0.451 -9.244 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.001 -3.683 -2.820 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.856 -4.920 -1.996 1.00 0.00 C ATOM 1087 C HIS A 66 -7.868 -5.880 -2.662 1.00 0.00 C ATOM 1088 O HIS A 66 -7.967 -6.168 -3.840 1.00 0.00 O ATOM 1089 CB HIS A 66 -10.219 -5.603 -1.864 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.052 -4.873 -0.845 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -10.533 -4.447 0.367 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.370 -4.487 -0.844 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -11.523 -3.834 1.040 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.665 -3.831 0.347 1.00 0.00 N ATOM 0 H HIS A 66 -9.031 -3.834 -3.828 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.481 -4.651 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.728 -5.610 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.089 -6.643 -1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.071 -4.666 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -11.409 -3.397 2.021 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.561 -3.433 0.630 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.920 -6.382 -1.910 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.923 -7.332 -2.483 1.00 0.00 C ATOM 1104 C LYS A 67 -6.500 -8.747 -2.439 1.00 0.00 C ATOM 1105 O LYS A 67 -6.272 -9.494 -1.506 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.630 -7.279 -1.664 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.065 -5.854 -1.681 1.00 0.00 C ATOM 1108 CD LYS A 67 -4.407 -5.144 -0.365 1.00 0.00 C ATOM 1109 CE LYS A 67 -3.209 -5.219 0.586 1.00 0.00 C ATOM 1110 NZ LYS A 67 -3.159 -3.982 1.419 1.00 0.00 N ATOM 0 H LYS A 67 -6.795 -6.172 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.704 -7.056 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.825 -7.591 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.899 -7.975 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.984 -5.883 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.479 -5.299 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.666 -4.103 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.279 -5.609 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.293 -6.098 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.285 -5.325 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.689 -4.191 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.627 -3.245 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.127 -3.647 1.601 1.00 0.00 H new ATOM 1124 N VAL A 68 -7.259 -9.111 -3.439 1.00 0.00 N ATOM 1125 CA VAL A 68 -7.877 -10.467 -3.470 1.00 0.00 C ATOM 1126 C VAL A 68 -7.000 -11.412 -4.322 1.00 0.00 C ATOM 1127 O VAL A 68 -5.830 -11.158 -4.528 1.00 0.00 O ATOM 1128 CB VAL A 68 -9.319 -10.318 -4.025 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -9.347 -10.346 -5.564 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -10.212 -11.434 -3.470 1.00 0.00 C ATOM 0 H VAL A 68 -7.478 -8.521 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.937 -10.909 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.697 -9.348 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.375 -10.239 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.745 -9.525 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.941 -11.294 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.222 -11.322 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.811 -12.403 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.238 -11.372 -2.382 1.00 0.00 H new ATOM 1140 N GLN A 69 -7.559 -12.493 -4.819 1.00 0.00 N ATOM 1141 CA GLN A 69 -6.772 -13.453 -5.656 1.00 0.00 C ATOM 1142 C GLN A 69 -5.728 -14.165 -4.794 1.00 0.00 C ATOM 1143 O GLN A 69 -4.659 -13.643 -4.537 1.00 0.00 O ATOM 1144 CB GLN A 69 -6.067 -12.709 -6.798 1.00 0.00 C ATOM 1145 CG GLN A 69 -5.860 -13.665 -7.973 1.00 0.00 C ATOM 1146 CD GLN A 69 -4.902 -13.034 -8.985 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -3.703 -13.033 -8.785 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -5.383 -12.491 -10.071 1.00 0.00 N ATOM 0 H GLN A 69 -8.536 -12.751 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.458 -14.188 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.664 -11.852 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.107 -12.321 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.456 -14.613 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.816 -13.884 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.389 -12.492 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.753 -12.066 -10.751 1.00 0.00 H new ATOM 1157 N ASP A 70 -6.031 -15.361 -4.357 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.063 -16.129 -3.520 1.00 0.00 C ATOM 1159 C ASP A 70 -3.976 -16.717 -4.424 1.00 0.00 C ATOM 1160 O ASP A 70 -4.239 -17.577 -5.242 1.00 0.00 O ATOM 1161 CB ASP A 70 -5.799 -17.262 -2.800 1.00 0.00 C ATOM 1162 CG ASP A 70 -5.132 -17.529 -1.450 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -3.984 -17.941 -1.451 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -5.782 -17.319 -0.439 1.00 0.00 O ATOM 0 H ASP A 70 -6.912 -15.840 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.608 -15.468 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.845 -16.994 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.783 -18.165 -3.410 1.00 0.00 H new ATOM 1169 N VAL A 71 -2.761 -16.248 -4.288 1.00 0.00 N ATOM 1170 CA VAL A 71 -1.655 -16.765 -5.147 1.00 0.00 C ATOM 1171 C VAL A 71 -0.893 -17.876 -4.410 1.00 0.00 C ATOM 1172 O VAL A 71 -0.335 -18.765 -5.027 1.00 0.00 O ATOM 1173 CB VAL A 71 -0.701 -15.611 -5.497 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -0.063 -15.042 -4.221 1.00 0.00 C ATOM 1175 CG2 VAL A 71 0.398 -16.118 -6.437 1.00 0.00 C ATOM 0 H VAL A 71 -2.488 -15.529 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.072 -17.179 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.269 -14.822 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.610 -14.226 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.844 -14.669 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.499 -15.827 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.073 -15.298 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.958 -16.914 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.054 -16.503 -7.351 1.00 0.00 H new ATOM 1185 N LYS A 72 -0.859 -17.826 -3.103 1.00 0.00 N ATOM 1186 CA LYS A 72 -0.124 -18.873 -2.331 1.00 0.00 C ATOM 1187 C LYS A 72 -1.118 -19.843 -1.690 1.00 0.00 C ATOM 1188 O LYS A 72 -1.797 -19.511 -0.736 1.00 0.00 O ATOM 1189 CB LYS A 72 0.712 -18.204 -1.239 1.00 0.00 C ATOM 1190 CG LYS A 72 2.038 -17.721 -1.832 1.00 0.00 C ATOM 1191 CD LYS A 72 3.153 -17.890 -0.798 1.00 0.00 C ATOM 1192 CE LYS A 72 3.192 -16.663 0.115 1.00 0.00 C ATOM 1193 NZ LYS A 72 4.117 -16.921 1.255 1.00 0.00 N ATOM 0 H LYS A 72 -1.308 -17.106 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 72 0.529 -19.426 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.165 -17.363 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.899 -18.908 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.274 -18.288 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.957 -16.675 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.983 -18.790 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.113 -18.014 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.524 -15.789 -0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.192 -16.442 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.144 -16.087 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.781 -17.744 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.072 -17.112 0.891 1.00 0.00 H new ATOM 1207 N SER A 73 -1.200 -21.044 -2.207 1.00 0.00 N ATOM 1208 CA SER A 73 -2.140 -22.052 -1.635 1.00 0.00 C ATOM 1209 C SER A 73 -1.487 -22.733 -0.429 1.00 0.00 C ATOM 1210 O SER A 73 -2.160 -23.170 0.485 1.00 0.00 O ATOM 1211 CB SER A 73 -2.464 -23.105 -2.696 1.00 0.00 C ATOM 1212 OG SER A 73 -1.324 -23.930 -2.903 1.00 0.00 O ATOM 0 H SER A 73 -0.653 -21.369 -3.004 1.00 0.00 H new ATOM 0 HA SER A 73 -3.058 -21.555 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.312 -23.711 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.751 -22.621 -3.629 1.00 0.00 H new ATOM 0 HG SER A 73 -1.529 -24.607 -3.581 1.00 0.00 H new ATOM 1218 N GLY A 74 -0.180 -22.828 -0.424 1.00 0.00 N ATOM 1219 CA GLY A 74 0.526 -23.482 0.717 1.00 0.00 C ATOM 1220 C GLY A 74 0.405 -22.610 1.967 1.00 0.00 C ATOM 1221 O GLY A 74 -0.549 -22.712 2.716 1.00 0.00 O ATOM 0 H GLY A 74 0.429 -22.479 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.098 -24.466 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.576 -23.634 0.468 1.00 0.00 H new ATOM 1225 N SER A 75 1.371 -21.756 2.201 1.00 0.00 N ATOM 1226 CA SER A 75 1.329 -20.869 3.406 1.00 0.00 C ATOM 1227 C SER A 75 1.279 -21.725 4.677 1.00 0.00 C ATOM 1228 O SER A 75 0.217 -22.082 5.149 1.00 0.00 O ATOM 1229 CB SER A 75 0.087 -19.977 3.343 1.00 0.00 C ATOM 1230 OG SER A 75 0.251 -18.880 4.230 1.00 0.00 O ATOM 0 H SER A 75 2.191 -21.634 1.606 1.00 0.00 H new ATOM 0 HA SER A 75 2.223 -20.246 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.065 -19.617 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.800 -20.549 3.614 1.00 0.00 H new ATOM 0 HG SER A 75 -0.542 -18.306 4.191 1.00 0.00 H new ATOM 1236 N MET A 76 2.421 -22.060 5.228 1.00 0.00 N ATOM 1237 CA MET A 76 2.443 -22.896 6.464 1.00 0.00 C ATOM 1238 C MET A 76 2.027 -22.043 7.671 1.00 0.00 C ATOM 1239 O MET A 76 0.886 -22.077 8.093 1.00 0.00 O ATOM 1240 CB MET A 76 3.851 -23.457 6.681 1.00 0.00 C ATOM 1241 CG MET A 76 4.149 -24.508 5.612 1.00 0.00 C ATOM 1242 SD MET A 76 5.913 -24.911 5.640 1.00 0.00 S ATOM 1243 CE MET A 76 5.755 -26.576 6.332 1.00 0.00 C ATOM 0 H MET A 76 3.338 -21.789 4.873 1.00 0.00 H new ATOM 0 HA MET A 76 1.743 -23.724 6.354 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.586 -22.654 6.632 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.929 -23.900 7.674 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.557 -25.405 5.793 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.866 -24.133 4.629 1.00 0.00 H new ATOM 0 HE1 MET A 76 6.744 -27.022 6.437 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.276 -26.520 7.310 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.149 -27.191 5.666 1.00 0.00 H new ATOM 1253 N LEU A 77 2.937 -21.279 8.227 1.00 0.00 N ATOM 1254 CA LEU A 77 2.588 -20.426 9.403 1.00 0.00 C ATOM 1255 C LEU A 77 2.118 -19.055 8.912 1.00 0.00 C ATOM 1256 O LEU A 77 0.963 -18.701 9.047 1.00 0.00 O ATOM 1257 CB LEU A 77 3.819 -20.256 10.299 1.00 0.00 C ATOM 1258 CG LEU A 77 3.903 -21.425 11.283 1.00 0.00 C ATOM 1259 CD1 LEU A 77 4.397 -22.676 10.553 1.00 0.00 C ATOM 1260 CD2 LEU A 77 4.879 -21.075 12.408 1.00 0.00 C ATOM 0 H LEU A 77 3.906 -21.211 7.916 1.00 0.00 H new ATOM 0 HA LEU A 77 1.791 -20.902 9.974 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.722 -20.215 9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.758 -19.313 10.843 1.00 0.00 H new ATOM 0 HG LEU A 77 2.915 -21.616 11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.456 -23.507 11.255 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.703 -22.927 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.384 -22.486 10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.939 -21.907 13.109 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.866 -20.883 11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.528 -20.185 12.930 1.00 0.00 H new ATOM 1272 N SER A 78 3.009 -18.284 8.339 1.00 0.00 N ATOM 1273 CA SER A 78 2.628 -16.936 7.828 1.00 0.00 C ATOM 1274 C SER A 78 3.730 -16.424 6.890 1.00 0.00 C ATOM 1275 O SER A 78 3.642 -16.581 5.688 1.00 0.00 O ATOM 1276 CB SER A 78 2.442 -15.973 9.005 1.00 0.00 C ATOM 1277 OG SER A 78 2.300 -14.646 8.512 1.00 0.00 O ATOM 0 H SER A 78 3.989 -18.534 8.204 1.00 0.00 H new ATOM 0 HA SER A 78 1.689 -17.000 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.562 -16.254 9.583 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.298 -16.033 9.677 1.00 0.00 H new ATOM 0 HG SER A 78 2.179 -14.029 9.264 1.00 0.00 H new ATOM 1283 N ASN A 79 4.771 -15.826 7.426 1.00 0.00 N ATOM 1284 CA ASN A 79 5.883 -15.317 6.563 1.00 0.00 C ATOM 1285 C ASN A 79 5.340 -14.304 5.545 1.00 0.00 C ATOM 1286 O ASN A 79 4.743 -14.673 4.551 1.00 0.00 O ATOM 1287 CB ASN A 79 6.527 -16.494 5.822 1.00 0.00 C ATOM 1288 CG ASN A 79 8.046 -16.313 5.783 1.00 0.00 C ATOM 1289 OD1 ASN A 79 8.619 -16.122 4.729 1.00 0.00 O ATOM 1290 ND2 ASN A 79 8.726 -16.367 6.895 1.00 0.00 N ATOM 0 H ASN A 79 4.896 -15.669 8.426 1.00 0.00 H new ATOM 0 HA ASN A 79 6.627 -14.824 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.276 -17.430 6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.133 -16.557 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.739 -16.249 6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.245 -16.527 7.780 1.00 0.00 H new ATOM 1297 N ASN A 80 5.551 -13.033 5.782 1.00 0.00 N ATOM 1298 CA ASN A 80 5.056 -11.996 4.828 1.00 0.00 C ATOM 1299 C ASN A 80 5.859 -12.086 3.529 1.00 0.00 C ATOM 1300 O ASN A 80 6.987 -12.540 3.521 1.00 0.00 O ATOM 1301 CB ASN A 80 5.229 -10.605 5.445 1.00 0.00 C ATOM 1302 CG ASN A 80 4.506 -9.572 4.580 1.00 0.00 C ATOM 1303 OD1 ASN A 80 3.292 -9.540 4.538 1.00 0.00 O ATOM 1304 ND2 ASN A 80 5.205 -8.719 3.881 1.00 0.00 N ATOM 0 H ASN A 80 6.046 -12.669 6.597 1.00 0.00 H new ATOM 0 HA ASN A 80 4.000 -12.165 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.827 -10.592 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.288 -10.357 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.732 -8.027 3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.224 -8.745 3.916 1.00 0.00 H new ATOM 1311 N ASP A 81 5.284 -11.662 2.430 1.00 0.00 N ATOM 1312 CA ASP A 81 6.011 -11.727 1.126 1.00 0.00 C ATOM 1313 C ASP A 81 6.341 -10.312 0.645 1.00 0.00 C ATOM 1314 O ASP A 81 5.790 -9.339 1.124 1.00 0.00 O ATOM 1315 CB ASP A 81 5.133 -12.425 0.083 1.00 0.00 C ATOM 1316 CG ASP A 81 6.012 -13.259 -0.851 1.00 0.00 C ATOM 1317 OD1 ASP A 81 6.438 -14.325 -0.437 1.00 0.00 O ATOM 1318 OD2 ASP A 81 6.247 -12.817 -1.964 1.00 0.00 O ATOM 0 H ASP A 81 4.342 -11.274 2.381 1.00 0.00 H new ATOM 0 HA ASP A 81 6.936 -12.288 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.401 -13.064 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.574 -11.685 -0.491 1.00 0.00 H new ATOM 1323 N SER A 82 7.234 -10.199 -0.303 1.00 0.00 N ATOM 1324 CA SER A 82 7.611 -8.857 -0.832 1.00 0.00 C ATOM 1325 C SER A 82 6.845 -8.589 -2.130 1.00 0.00 C ATOM 1326 O SER A 82 7.364 -7.992 -3.054 1.00 0.00 O ATOM 1327 CB SER A 82 9.114 -8.821 -1.107 1.00 0.00 C ATOM 1328 OG SER A 82 9.482 -7.516 -1.535 1.00 0.00 O ATOM 0 H SER A 82 7.721 -10.984 -0.735 1.00 0.00 H new ATOM 0 HA SER A 82 7.360 -8.092 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.667 -9.090 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.373 -9.554 -1.871 1.00 0.00 H new ATOM 0 HG SER A 82 8.853 -7.207 -2.220 1.00 0.00 H new ATOM 1334 N ARG A 83 5.612 -9.026 -2.202 1.00 0.00 N ATOM 1335 CA ARG A 83 4.800 -8.801 -3.433 1.00 0.00 C ATOM 1336 C ARG A 83 3.401 -8.332 -3.035 1.00 0.00 C ATOM 1337 O ARG A 83 2.665 -9.045 -2.377 1.00 0.00 O ATOM 1338 CB ARG A 83 4.690 -10.106 -4.224 1.00 0.00 C ATOM 1339 CG ARG A 83 4.355 -9.788 -5.685 1.00 0.00 C ATOM 1340 CD ARG A 83 4.715 -10.981 -6.577 1.00 0.00 C ATOM 1341 NE ARG A 83 5.836 -10.600 -7.481 1.00 0.00 N ATOM 1342 CZ ARG A 83 5.821 -10.970 -8.732 1.00 0.00 C ATOM 1343 NH1 ARG A 83 5.507 -12.197 -9.045 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.121 -10.113 -9.670 1.00 0.00 N ATOM 0 H ARG A 83 5.133 -9.531 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 83 5.282 -8.043 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.627 -10.659 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.917 -10.742 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.294 -9.558 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.903 -8.903 -6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.002 -11.835 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.848 -11.286 -7.163 1.00 0.00 H new ATOM 0 HE ARG A 83 6.616 -10.049 -7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.273 -12.867 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.495 -12.487 -10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.367 -9.154 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.109 -10.402 -10.648 1.00 0.00 H new ATOM 1358 N TRP A 84 3.032 -7.139 -3.422 1.00 0.00 N ATOM 1359 CA TRP A 84 1.684 -6.616 -3.059 1.00 0.00 C ATOM 1360 C TRP A 84 0.869 -6.366 -4.330 1.00 0.00 C ATOM 1361 O TRP A 84 1.247 -5.577 -5.175 1.00 0.00 O ATOM 1362 CB TRP A 84 1.840 -5.312 -2.277 1.00 0.00 C ATOM 1363 CG TRP A 84 2.576 -5.592 -1.006 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.846 -6.049 -0.932 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.112 -5.449 0.369 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.194 -6.193 0.399 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.159 -5.837 1.239 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.899 -5.026 0.938 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.006 -5.805 2.626 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.743 -4.992 2.333 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.794 -5.382 3.175 1.00 0.00 C ATOM 0 H TRP A 84 3.608 -6.504 -3.975 1.00 0.00 H new ATOM 0 HA TRP A 84 1.163 -7.348 -2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.383 -4.578 -2.873 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.861 -4.884 -2.059 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.485 -6.266 -1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.104 -6.522 0.720 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.082 -4.725 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.819 -6.105 3.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.193 -4.663 2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.666 -5.355 4.247 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.247 -7.039 -4.469 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.097 -6.853 -5.683 1.00 0.00 C ATOM 1384 C GLU A 85 -2.419 -6.196 -5.281 1.00 0.00 C ATOM 1385 O GLU A 85 -3.225 -6.783 -4.583 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.382 -8.217 -6.316 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.079 -8.825 -6.849 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.018 -10.313 -6.492 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.157 -10.627 -5.322 1.00 0.00 O ATOM 1390 OE2 GLU A 85 0.167 -11.112 -7.395 1.00 0.00 O ATOM 0 H GLU A 85 -0.606 -7.711 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.576 -6.218 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.830 -8.884 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.102 -8.108 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.023 -8.698 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.778 -8.304 -6.422 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.648 -4.983 -5.716 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.917 -4.284 -5.363 1.00 0.00 C ATOM 1399 C PHE A 86 -4.922 -4.431 -6.507 1.00 0.00 C ATOM 1400 O PHE A 86 -4.788 -3.809 -7.545 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.636 -2.799 -5.121 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.582 -2.650 -4.052 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.231 -2.826 -4.374 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -2.954 -2.334 -2.741 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.251 -2.687 -3.384 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -1.975 -2.194 -1.750 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.624 -2.370 -2.071 1.00 0.00 C ATOM 0 H PHE A 86 -2.008 -4.447 -6.302 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.331 -4.728 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.301 -2.327 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.551 -2.290 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.945 -3.069 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.996 -2.198 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.791 -2.824 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.262 -1.950 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.131 -2.261 -1.307 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.931 -5.245 -6.322 1.00 0.00 N ATOM 1418 CA GLU A 87 -6.953 -5.437 -7.392 1.00 0.00 C ATOM 1419 C GLU A 87 -8.154 -4.529 -7.110 1.00 0.00 C ATOM 1420 O GLU A 87 -8.551 -4.345 -5.975 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.405 -6.900 -7.413 1.00 0.00 C ATOM 1422 CG GLU A 87 -6.391 -7.736 -8.197 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.105 -8.915 -8.862 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -7.598 -8.739 -9.963 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.145 -9.974 -8.256 1.00 0.00 O ATOM 0 H GLU A 87 -6.090 -5.786 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.523 -5.182 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.495 -7.279 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.391 -6.981 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.903 -7.120 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.610 -8.100 -7.529 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.729 -3.959 -8.137 1.00 0.00 N ATOM 1433 CA ASN A 88 -9.901 -3.056 -7.943 1.00 0.00 C ATOM 1434 C ASN A 88 -11.187 -3.886 -7.880 1.00 0.00 C ATOM 1435 O ASN A 88 -11.704 -4.314 -8.895 1.00 0.00 O ATOM 1436 CB ASN A 88 -9.985 -2.080 -9.118 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.588 -0.758 -8.647 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -11.490 -0.744 -7.833 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -10.126 0.363 -9.127 1.00 0.00 N ATOM 0 H ASN A 88 -8.435 -4.081 -9.106 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.783 -2.503 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.992 -1.910 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.595 -2.506 -9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.522 1.251 -8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.369 0.352 -9.810 1.00 0.00 H new ATOM 1446 N GLU A 89 -11.708 -4.114 -6.698 1.00 0.00 N ATOM 1447 CA GLU A 89 -12.961 -4.917 -6.577 1.00 0.00 C ATOM 1448 C GLU A 89 -14.139 -4.111 -7.142 1.00 0.00 C ATOM 1449 O GLU A 89 -14.578 -4.361 -8.242 1.00 0.00 O ATOM 1450 CB GLU A 89 -13.211 -5.279 -5.106 1.00 0.00 C ATOM 1451 CG GLU A 89 -13.836 -6.673 -5.020 1.00 0.00 C ATOM 1452 CD GLU A 89 -12.730 -7.730 -4.982 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -11.740 -7.499 -4.307 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -12.894 -8.752 -5.628 1.00 0.00 O ATOM 0 H GLU A 89 -11.320 -3.779 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.859 -5.841 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.273 -5.255 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.872 -4.544 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.457 -6.750 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.487 -6.844 -5.877 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.642 -3.139 -6.408 1.00 0.00 N ATOM 1462 CA ARG A 90 -15.787 -2.298 -6.898 1.00 0.00 C ATOM 1463 C ARG A 90 -16.929 -3.176 -7.460 1.00 0.00 C ATOM 1464 O ARG A 90 -17.837 -3.544 -6.739 1.00 0.00 O ATOM 1465 CB ARG A 90 -15.282 -1.319 -7.973 1.00 0.00 C ATOM 1466 CG ARG A 90 -15.226 0.099 -7.395 1.00 0.00 C ATOM 1467 CD ARG A 90 -15.229 1.118 -8.536 1.00 0.00 C ATOM 1468 NE ARG A 90 -16.415 0.887 -9.409 1.00 0.00 N ATOM 1469 CZ ARG A 90 -17.528 1.531 -9.182 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -17.506 2.821 -8.984 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -18.661 0.884 -9.150 1.00 0.00 N ATOM 0 H ARG A 90 -14.302 -2.891 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.189 -1.735 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.293 -1.621 -8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.943 -1.343 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.080 0.269 -6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.329 0.220 -6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.253 2.130 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.312 1.029 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.357 0.226 -10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.620 3.325 -9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.375 3.325 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.677 -0.124 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.531 1.387 -8.973 1.00 0.00 H new ATOM 1485 N HIS A 91 -16.896 -3.508 -8.731 1.00 0.00 N ATOM 1486 CA HIS A 91 -17.983 -4.352 -9.322 1.00 0.00 C ATOM 1487 C HIS A 91 -17.481 -5.787 -9.517 1.00 0.00 C ATOM 1488 O HIS A 91 -17.416 -6.288 -10.626 1.00 0.00 O ATOM 1489 CB HIS A 91 -18.439 -3.767 -10.674 1.00 0.00 C ATOM 1490 CG HIS A 91 -17.258 -3.310 -11.502 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -16.036 -3.973 -11.500 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -17.103 -2.252 -12.365 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -15.215 -3.313 -12.336 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -15.815 -2.257 -12.889 1.00 0.00 N ATOM 0 H HIS A 91 -16.163 -3.230 -9.383 1.00 0.00 H new ATOM 0 HA HIS A 91 -18.832 -4.359 -8.639 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -19.004 -4.518 -11.226 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.111 -2.927 -10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.867 -1.526 -12.601 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.194 -3.602 -12.536 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.414 -1.595 -13.554 1.00 0.00 H new ATOM 1502 N ALA A 92 -17.127 -6.454 -8.447 1.00 0.00 N ATOM 1503 CA ALA A 92 -16.634 -7.858 -8.564 1.00 0.00 C ATOM 1504 C ALA A 92 -17.779 -8.761 -9.025 1.00 0.00 C ATOM 1505 O ALA A 92 -18.914 -8.467 -8.683 1.00 0.00 O ATOM 1506 CB ALA A 92 -16.117 -8.337 -7.204 1.00 0.00 C ATOM 1507 OXT ALA A 92 -17.505 -9.732 -9.711 1.00 0.00 O ATOM 0 H ALA A 92 -17.159 -6.085 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.823 -7.899 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.758 -9.362 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -15.300 -7.693 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -16.925 -8.297 -6.473 1.00 0.00 H new TER 1513 ALA A 92