USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 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 39 CYS SG : rot -133:sc= -3.35! USER MOD Set 1.2: A 63 ASN :FLIP amide:sc= -6.52! C(o=-12!,f=-9.9!) USER MOD Set 2.1: A 20 TYR OH : rot -148:sc= -0.578! USER MOD Set 2.2: A 43 HIS : no HD1:sc=-0.00937 K(o=-0.59,f=-15!) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0.157! USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 HIS : no HE2:sc= -0.853! C(o=-1.7!,f=-10!) USER MOD Set 4.2: A 36 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot -170:sc= -0.808 USER MOD Set 5.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -138:sc= -0.325 (180deg=-1.38!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -129:sc= 0.854 (180deg=-1.09) USER MOD Single : A 7 ASN : amide:sc= -2.41! C(o=-2.4!,f=-4.6!) USER MOD Single : A 13 CYS SG : rot -43:sc= -4.16! USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -17:sc= 0.331 USER MOD Single : A 19 ASN : amide:sc= -0.904 K(o=-0.9,f=-2.5!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 27 ASN : amide:sc= -1.48 K(o=-1.5,f=-11!) USER MOD Single : A 31 SER OG : rot 101:sc= -0.297 USER MOD Single : A 33 SER OG : rot -112:sc= 0.0728 USER MOD Single : A 34 SER OG : rot 150:sc= -1.33 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0471) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0786 (180deg=-0.567) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.721 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -60:sc= -4.24! USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 86 MET CE :methyl -154:sc= -0.0484 (180deg=-0.308) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.991 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.0164 USER MOD Single : A 102 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 107 SER OG : rot 140:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.62) USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.145) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -11:sc= 0.837! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.759 18.050 9.958 1.00 0.00 N ATOM 2 CA GLY A 1 0.653 17.594 9.842 1.00 0.00 C ATOM 3 C GLY A 1 1.498 18.705 9.227 1.00 0.00 C ATOM 4 O GLY A 1 1.848 18.649 8.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.146 17.751 10.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.796 19.087 9.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.323 17.631 9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.042 17.328 10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.707 16.697 9.225 1.00 0.00 H new ATOM 10 N PRO A 2 1.832 19.704 10.001 1.00 0.00 N ATOM 11 CA PRO A 2 2.661 20.840 9.517 1.00 0.00 C ATOM 12 C PRO A 2 4.086 20.375 9.241 1.00 0.00 C ATOM 13 O PRO A 2 4.776 20.903 8.369 1.00 0.00 O ATOM 14 CB PRO A 2 2.612 21.887 10.657 1.00 0.00 C ATOM 15 CG PRO A 2 1.755 21.304 11.758 1.00 0.00 C ATOM 16 CD PRO A 2 1.472 19.836 11.416 1.00 0.00 C ATOM 0 HA PRO A 2 2.293 21.258 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.615 22.105 11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.193 22.827 10.299 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.266 21.379 12.718 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.822 21.860 11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.063 19.164 12.039 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.424 19.586 11.582 1.00 0.00 H new ATOM 24 N LEU A 3 4.505 19.375 10.003 1.00 0.00 N ATOM 25 CA LEU A 3 5.837 18.812 9.867 1.00 0.00 C ATOM 26 C LEU A 3 5.983 18.089 8.530 1.00 0.00 C ATOM 27 O LEU A 3 7.036 18.145 7.894 1.00 0.00 O ATOM 28 CB LEU A 3 6.100 17.846 11.030 1.00 0.00 C ATOM 29 CG LEU A 3 6.120 18.634 12.355 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.120 17.668 13.554 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.371 19.537 12.412 1.00 0.00 C ATOM 0 H LEU A 3 3.936 18.935 10.726 1.00 0.00 H new ATOM 0 HA LEU A 3 6.570 19.618 9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.327 17.079 11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.051 17.334 10.884 1.00 0.00 H new ATOM 0 HG LEU A 3 5.226 19.255 12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.134 18.240 14.482 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.223 17.049 13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.003 17.030 13.507 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.378 20.090 13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.268 18.921 12.347 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.352 20.238 11.578 1.00 0.00 H new ATOM 43 N GLY A 4 4.919 17.405 8.116 1.00 0.00 N ATOM 44 CA GLY A 4 4.935 16.662 6.857 1.00 0.00 C ATOM 45 C GLY A 4 5.576 15.295 7.049 1.00 0.00 C ATOM 46 O GLY A 4 6.341 14.827 6.202 1.00 0.00 O ATOM 0 H GLY A 4 4.040 17.349 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.917 16.543 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.486 17.225 6.103 1.00 0.00 H new ATOM 50 N SER A 5 5.265 14.662 8.173 1.00 0.00 N ATOM 51 CA SER A 5 5.818 13.350 8.480 1.00 0.00 C ATOM 52 C SER A 5 5.262 12.292 7.537 1.00 0.00 C ATOM 53 O SER A 5 6.003 11.461 7.011 1.00 0.00 O ATOM 54 CB SER A 5 5.477 12.970 9.921 1.00 0.00 C ATOM 55 OG SER A 5 6.074 11.717 10.232 1.00 0.00 O ATOM 0 H SER A 5 4.636 15.034 8.884 1.00 0.00 H new ATOM 0 HA SER A 5 6.900 13.398 8.354 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.837 13.737 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.396 12.912 10.048 1.00 0.00 H new ATOM 0 HG SER A 5 5.858 11.472 11.156 1.00 0.00 H new ATOM 61 N LYS A 6 3.949 12.321 7.339 1.00 0.00 N ATOM 62 CA LYS A 6 3.287 11.350 6.470 1.00 0.00 C ATOM 63 C LYS A 6 3.022 11.953 5.098 1.00 0.00 C ATOM 64 O LYS A 6 2.484 11.290 4.213 1.00 0.00 O ATOM 65 CB LYS A 6 1.968 10.909 7.108 1.00 0.00 C ATOM 66 CG LYS A 6 2.256 10.262 8.466 1.00 0.00 C ATOM 67 CD LYS A 6 0.942 9.806 9.112 1.00 0.00 C ATOM 68 CE LYS A 6 1.215 9.250 10.515 1.00 0.00 C ATOM 69 NZ LYS A 6 2.083 8.045 10.413 1.00 0.00 N ATOM 0 H LYS A 6 3.322 13.003 7.766 1.00 0.00 H new ATOM 0 HA LYS A 6 3.940 10.486 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.307 11.766 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.454 10.202 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.924 9.410 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.765 10.973 9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.247 10.643 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.469 9.042 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.699 10.009 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.276 8.994 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.655 7.263 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.179 7.769 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.022 8.260 10.804 1.00 0.00 H new ATOM 83 N ASN A 7 3.410 13.211 4.926 1.00 0.00 N ATOM 84 CA ASN A 7 3.219 13.886 3.654 1.00 0.00 C ATOM 85 C ASN A 7 4.067 13.222 2.579 1.00 0.00 C ATOM 86 O ASN A 7 3.626 13.040 1.447 1.00 0.00 O ATOM 87 CB ASN A 7 3.604 15.360 3.781 1.00 0.00 C ATOM 88 CG ASN A 7 3.424 16.069 2.442 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.305 15.421 1.403 1.00 0.00 O ATOM 90 ND2 ASN A 7 3.390 17.373 2.404 1.00 0.00 N ATOM 0 H ASN A 7 3.855 13.778 5.647 1.00 0.00 H new ATOM 0 HA ASN A 7 2.168 13.815 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.987 15.840 4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.640 15.446 4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.265 17.854 1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.489 17.911 3.265 1.00 0.00 H new ATOM 97 N MET A 8 5.291 12.869 2.946 1.00 0.00 N ATOM 98 CA MET A 8 6.211 12.233 2.013 1.00 0.00 C ATOM 99 C MET A 8 5.631 10.918 1.502 1.00 0.00 C ATOM 100 O MET A 8 5.496 10.711 0.297 1.00 0.00 O ATOM 101 CB MET A 8 7.542 11.965 2.726 1.00 0.00 C ATOM 102 CG MET A 8 8.582 11.433 1.734 1.00 0.00 C ATOM 103 SD MET A 8 8.302 9.670 1.436 1.00 0.00 S ATOM 104 CE MET A 8 8.935 9.631 -0.258 1.00 0.00 C ATOM 0 H MET A 8 5.670 13.012 3.882 1.00 0.00 H new ATOM 0 HA MET A 8 6.370 12.896 1.162 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.906 12.883 3.187 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.393 11.243 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.518 11.984 0.796 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.586 11.589 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.858 8.618 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.350 10.308 -0.881 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.979 9.944 -0.264 1.00 0.00 H new ATOM 114 N LEU A 9 5.285 10.038 2.432 1.00 0.00 N ATOM 115 CA LEU A 9 4.718 8.751 2.091 1.00 0.00 C ATOM 116 C LEU A 9 3.364 8.917 1.436 1.00 0.00 C ATOM 117 O LEU A 9 3.034 8.220 0.476 1.00 0.00 O ATOM 118 CB LEU A 9 4.557 7.926 3.366 1.00 0.00 C ATOM 119 CG LEU A 9 5.903 7.350 3.794 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.801 6.840 5.241 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.323 6.190 2.861 1.00 0.00 C ATOM 0 H LEU A 9 5.390 10.199 3.434 1.00 0.00 H new ATOM 0 HA LEU A 9 5.385 8.248 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.150 8.549 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.844 7.118 3.198 1.00 0.00 H new ATOM 0 HG LEU A 9 6.657 8.134 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.761 6.428 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.532 7.666 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.037 6.065 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.286 5.794 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.573 5.400 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.407 6.558 1.838 1.00 0.00 H new ATOM 133 N LEU A 10 2.578 9.831 1.979 1.00 0.00 N ATOM 134 CA LEU A 10 1.238 10.074 1.452 1.00 0.00 C ATOM 135 C LEU A 10 1.333 10.557 0.010 1.00 0.00 C ATOM 136 O LEU A 10 0.647 10.048 -0.877 1.00 0.00 O ATOM 137 CB LEU A 10 0.509 11.114 2.328 1.00 0.00 C ATOM 138 CG LEU A 10 -0.875 11.448 1.745 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.702 10.163 1.599 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.607 12.431 2.679 1.00 0.00 C ATOM 0 H LEU A 10 2.837 10.413 2.776 1.00 0.00 H new ATOM 0 HA LEU A 10 0.667 9.146 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.398 10.728 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.108 12.022 2.397 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.749 11.907 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.681 10.405 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.187 9.473 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.826 9.697 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.587 12.666 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.729 11.976 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.024 13.347 2.773 1.00 0.00 H new ATOM 152 N GLU A 11 2.198 11.532 -0.209 1.00 0.00 N ATOM 153 CA GLU A 11 2.402 12.092 -1.540 1.00 0.00 C ATOM 154 C GLU A 11 2.835 11.006 -2.502 1.00 0.00 C ATOM 155 O GLU A 11 2.280 10.820 -3.587 1.00 0.00 O ATOM 156 CB GLU A 11 3.514 13.123 -1.447 1.00 0.00 C ATOM 157 CG GLU A 11 3.706 13.808 -2.794 1.00 0.00 C ATOM 158 CD GLU A 11 4.744 14.918 -2.668 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.061 15.284 -1.548 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.206 15.384 -3.696 1.00 0.00 O ATOM 0 H GLU A 11 2.774 11.956 0.519 1.00 0.00 H new ATOM 0 HA GLU A 11 1.474 12.539 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.271 13.864 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.442 12.642 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.027 13.080 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.759 14.222 -3.140 1.00 0.00 H new ATOM 167 N TRP A 12 3.845 10.313 -2.050 1.00 0.00 N ATOM 168 CA TRP A 12 4.471 9.216 -2.758 1.00 0.00 C ATOM 169 C TRP A 12 3.456 8.133 -3.130 1.00 0.00 C ATOM 170 O TRP A 12 3.228 7.877 -4.308 1.00 0.00 O ATOM 171 CB TRP A 12 5.510 8.701 -1.774 1.00 0.00 C ATOM 172 CG TRP A 12 6.254 7.510 -2.250 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.358 7.522 -3.027 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.005 6.132 -1.902 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.798 6.218 -3.185 1.00 0.00 N ATOM 176 CE2 TRP A 12 6.988 5.322 -2.510 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.016 5.516 -1.127 1.00 0.00 C ATOM 178 CZ2 TRP A 12 6.992 3.938 -2.346 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.010 4.126 -0.957 1.00 0.00 C ATOM 180 CH2 TRP A 12 5.999 3.337 -1.565 1.00 0.00 C ATOM 0 H TRP A 12 4.275 10.500 -1.144 1.00 0.00 H new ATOM 0 HA TRP A 12 4.910 9.523 -3.707 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.221 9.499 -1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.015 8.456 -0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.820 8.400 -3.453 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.617 5.951 -3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.252 6.117 -0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.754 3.335 -2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.243 3.660 -0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.993 2.266 -1.430 1.00 0.00 H new ATOM 191 N CYS A 13 2.842 7.520 -2.126 1.00 0.00 N ATOM 192 CA CYS A 13 1.849 6.474 -2.357 1.00 0.00 C ATOM 193 C CYS A 13 0.781 6.928 -3.360 1.00 0.00 C ATOM 194 O CYS A 13 0.417 6.191 -4.275 1.00 0.00 O ATOM 195 CB CYS A 13 1.190 6.121 -1.019 1.00 0.00 C ATOM 196 SG CYS A 13 0.035 7.432 -0.544 1.00 0.00 S ATOM 0 H CYS A 13 3.013 7.728 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 13 2.348 5.601 -2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.663 5.171 -1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.951 5.997 -0.249 1.00 0.00 H new ATOM 0 HG CYS A 13 0.580 8.591 -0.764 1.00 0.00 H new ATOM 202 N ARG A 14 0.299 8.147 -3.168 1.00 0.00 N ATOM 203 CA ARG A 14 -0.729 8.716 -4.043 1.00 0.00 C ATOM 204 C ARG A 14 -0.210 8.809 -5.471 1.00 0.00 C ATOM 205 O ARG A 14 -0.896 8.467 -6.428 1.00 0.00 O ATOM 206 CB ARG A 14 -1.083 10.121 -3.569 1.00 0.00 C ATOM 207 CG ARG A 14 -2.249 10.670 -4.400 1.00 0.00 C ATOM 208 CD ARG A 14 -2.633 12.060 -3.890 1.00 0.00 C ATOM 209 NE ARG A 14 -3.831 12.541 -4.581 1.00 0.00 N ATOM 210 CZ ARG A 14 -5.037 12.458 -4.022 1.00 0.00 C ATOM 211 NH1 ARG A 14 -5.672 11.318 -4.008 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.580 13.514 -3.483 1.00 0.00 N ATOM 0 H ARG A 14 0.600 8.766 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.608 8.072 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.354 10.101 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.217 10.776 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.966 10.723 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.105 9.998 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.814 12.024 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.808 12.755 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.740 12.949 -5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.245 10.491 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.596 11.254 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.081 14.404 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.504 13.450 -3.055 1.00 0.00 H new ATOM 226 N ALA A 15 1.006 9.291 -5.590 1.00 0.00 N ATOM 227 CA ALA A 15 1.634 9.457 -6.899 1.00 0.00 C ATOM 228 C ALA A 15 1.549 8.175 -7.724 1.00 0.00 C ATOM 229 O ALA A 15 1.658 8.208 -8.950 1.00 0.00 O ATOM 230 CB ALA A 15 3.101 9.845 -6.719 1.00 0.00 C ATOM 0 H ALA A 15 1.587 9.577 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 15 1.100 10.244 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.567 9.968 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.164 10.782 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.619 9.062 -6.166 1.00 0.00 H new ATOM 236 N MET A 16 1.369 7.046 -7.046 1.00 0.00 N ATOM 237 CA MET A 16 1.283 5.756 -7.718 1.00 0.00 C ATOM 238 C MET A 16 -0.174 5.362 -7.939 1.00 0.00 C ATOM 239 O MET A 16 -0.452 4.337 -8.538 1.00 0.00 O ATOM 240 CB MET A 16 1.996 4.700 -6.867 1.00 0.00 C ATOM 241 CG MET A 16 3.303 5.292 -6.321 1.00 0.00 C ATOM 242 SD MET A 16 4.211 6.137 -7.642 1.00 0.00 S ATOM 243 CE MET A 16 5.627 6.681 -6.649 1.00 0.00 C ATOM 0 H MET A 16 1.280 6.999 -6.031 1.00 0.00 H new ATOM 0 HA MET A 16 1.765 5.826 -8.693 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.354 4.384 -6.045 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.206 3.814 -7.466 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.084 5.993 -5.515 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.919 4.500 -5.896 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.324 7.232 -7.280 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.279 7.326 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.131 5.812 -6.226 1.00 0.00 H new ATOM 253 N THR A 17 -1.099 6.179 -7.435 1.00 0.00 N ATOM 254 CA THR A 17 -2.531 5.901 -7.579 1.00 0.00 C ATOM 255 C THR A 17 -3.101 6.558 -8.836 1.00 0.00 C ATOM 256 O THR A 17 -4.209 6.231 -9.265 1.00 0.00 O ATOM 257 CB THR A 17 -3.288 6.432 -6.356 1.00 0.00 C ATOM 258 OG1 THR A 17 -3.090 7.833 -6.252 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.775 5.746 -5.094 1.00 0.00 C ATOM 0 H THR A 17 -0.885 7.036 -6.925 1.00 0.00 H new ATOM 0 HA THR A 17 -2.654 4.821 -7.661 1.00 0.00 H new ATOM 0 HB THR A 17 -4.352 6.222 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.324 8.097 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.316 6.127 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.931 4.670 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.711 5.950 -4.976 1.00 0.00 H new ATOM 267 N ARG A 18 -2.334 7.469 -9.432 1.00 0.00 N ATOM 268 CA ARG A 18 -2.764 8.143 -10.643 1.00 0.00 C ATOM 269 C ARG A 18 -2.877 7.133 -11.783 1.00 0.00 C ATOM 270 O ARG A 18 -3.851 7.116 -12.535 1.00 0.00 O ATOM 271 CB ARG A 18 -1.731 9.206 -10.994 1.00 0.00 C ATOM 272 CG ARG A 18 -2.208 9.976 -12.213 1.00 0.00 C ATOM 273 CD ARG A 18 -1.243 11.116 -12.510 1.00 0.00 C ATOM 274 NE ARG A 18 -1.268 12.083 -11.421 1.00 0.00 N ATOM 275 CZ ARG A 18 -2.226 12.998 -11.342 1.00 0.00 C ATOM 276 NH1 ARG A 18 -3.357 12.707 -10.757 1.00 0.00 N ATOM 277 NH2 ARG A 18 -2.039 14.182 -11.850 1.00 0.00 N ATOM 0 H ARG A 18 -1.415 7.753 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.739 8.606 -10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.588 9.884 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.766 8.741 -11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.274 9.310 -13.073 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.209 10.370 -12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.233 10.725 -12.638 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.518 11.602 -13.446 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.538 12.057 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.503 11.778 -10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.095 13.409 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.156 14.406 -12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.775 14.885 -11.789 1.00 0.00 H new ATOM 291 N ASN A 19 -1.854 6.296 -11.877 1.00 0.00 N ATOM 292 CA ASN A 19 -1.793 5.255 -12.899 1.00 0.00 C ATOM 293 C ASN A 19 -2.896 4.231 -12.669 1.00 0.00 C ATOM 294 O ASN A 19 -3.468 3.684 -13.613 1.00 0.00 O ATOM 295 CB ASN A 19 -0.433 4.555 -12.861 1.00 0.00 C ATOM 296 CG ASN A 19 -0.415 3.391 -13.848 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.233 3.342 -14.765 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.473 2.444 -13.710 1.00 0.00 N ATOM 0 H ASN A 19 -1.047 6.316 -11.253 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.930 5.720 -13.875 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.357 5.264 -13.109 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.230 4.191 -11.854 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.489 1.661 -14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.150 2.487 -12.949 1.00 0.00 H new ATOM 305 N TYR A 20 -3.173 3.977 -11.399 1.00 0.00 N ATOM 306 CA TYR A 20 -4.193 3.015 -11.006 1.00 0.00 C ATOM 307 C TYR A 20 -5.548 3.695 -10.854 1.00 0.00 C ATOM 308 O TYR A 20 -5.628 4.881 -10.538 1.00 0.00 O ATOM 309 CB TYR A 20 -3.790 2.389 -9.673 1.00 0.00 C ATOM 310 CG TYR A 20 -2.602 1.483 -9.883 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.349 2.034 -10.123 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.761 0.099 -9.838 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.236 1.202 -10.320 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.659 -0.738 -10.031 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.392 -0.186 -10.272 1.00 0.00 C ATOM 316 OH TYR A 20 0.698 -1.010 -10.462 1.00 0.00 O ATOM 0 H TYR A 20 -2.701 4.428 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.275 2.250 -11.778 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.544 3.169 -8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.624 1.823 -9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.231 3.107 -10.158 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.736 -0.327 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.737 1.632 -10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.783 -1.810 -9.995 1.00 0.00 H new ATOM 0 HH TYR A 20 0.409 -1.840 -10.895 1.00 0.00 H new ATOM 326 N GLU A 21 -6.619 2.942 -11.103 1.00 0.00 N ATOM 327 CA GLU A 21 -7.978 3.482 -11.001 1.00 0.00 C ATOM 328 C GLU A 21 -8.744 2.795 -9.883 1.00 0.00 C ATOM 329 O GLU A 21 -8.263 1.827 -9.295 1.00 0.00 O ATOM 330 CB GLU A 21 -8.721 3.270 -12.318 1.00 0.00 C ATOM 331 CG GLU A 21 -8.799 1.774 -12.625 1.00 0.00 C ATOM 332 CD GLU A 21 -9.433 1.563 -13.993 1.00 0.00 C ATOM 333 OE1 GLU A 21 -8.935 2.134 -14.948 1.00 0.00 O ATOM 334 OE2 GLU A 21 -10.413 0.840 -14.063 1.00 0.00 O ATOM 0 H GLU A 21 -6.575 1.960 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.907 4.548 -10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.724 3.692 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.207 3.791 -13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.801 1.336 -12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.385 1.266 -11.859 1.00 0.00 H new ATOM 341 N HIS A 22 -9.937 3.312 -9.590 1.00 0.00 N ATOM 342 CA HIS A 22 -10.765 2.747 -8.530 1.00 0.00 C ATOM 343 C HIS A 22 -10.021 2.884 -7.203 1.00 0.00 C ATOM 344 O HIS A 22 -10.463 2.410 -6.160 1.00 0.00 O ATOM 345 CB HIS A 22 -11.079 1.268 -8.852 1.00 0.00 C ATOM 346 CG HIS A 22 -12.152 0.732 -7.939 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.018 0.735 -6.565 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.363 0.135 -8.193 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.114 0.159 -6.045 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.970 -0.226 -6.994 1.00 0.00 N ATOM 0 H HIS A 22 -10.347 4.114 -10.068 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.712 3.281 -8.456 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.401 1.179 -9.889 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.174 0.669 -8.747 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.228 1.108 -6.039 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.781 -0.029 -9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.282 0.024 -4.987 1.00 0.00 H new ATOM 358 N VAL A 23 -8.873 3.558 -7.263 1.00 0.00 N ATOM 359 CA VAL A 23 -8.039 3.779 -6.083 1.00 0.00 C ATOM 360 C VAL A 23 -7.772 5.272 -5.905 1.00 0.00 C ATOM 361 O VAL A 23 -7.339 5.953 -6.836 1.00 0.00 O ATOM 362 CB VAL A 23 -6.715 3.038 -6.276 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.755 3.343 -5.129 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.977 1.532 -6.348 1.00 0.00 C ATOM 0 H VAL A 23 -8.498 3.962 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.550 3.407 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.258 3.374 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.819 2.806 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.557 4.414 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.202 3.026 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.033 1.005 -6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.447 1.200 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.638 1.317 -7.188 1.00 0.00 H new ATOM 374 N ASP A 24 -8.028 5.769 -4.701 1.00 0.00 N ATOM 375 CA ASP A 24 -7.808 7.184 -4.387 1.00 0.00 C ATOM 376 C ASP A 24 -7.398 7.322 -2.927 1.00 0.00 C ATOM 377 O ASP A 24 -8.217 7.151 -2.025 1.00 0.00 O ATOM 378 CB ASP A 24 -9.079 7.992 -4.646 1.00 0.00 C ATOM 379 CG ASP A 24 -8.758 9.483 -4.623 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.618 9.829 -4.884 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.656 10.258 -4.339 1.00 0.00 O ATOM 0 H ASP A 24 -8.388 5.217 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.015 7.569 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.505 7.717 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.828 7.760 -3.889 1.00 0.00 H new ATOM 386 N ILE A 25 -6.120 7.602 -2.697 1.00 0.00 N ATOM 387 CA ILE A 25 -5.605 7.718 -1.334 1.00 0.00 C ATOM 388 C ILE A 25 -5.798 9.113 -0.735 1.00 0.00 C ATOM 389 O ILE A 25 -4.946 9.993 -0.867 1.00 0.00 O ATOM 390 CB ILE A 25 -4.130 7.310 -1.324 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.044 5.817 -1.677 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.526 7.542 0.062 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.581 5.378 -1.841 1.00 0.00 C ATOM 0 H ILE A 25 -5.425 7.752 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.182 7.046 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.576 7.908 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.520 5.226 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.592 5.625 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.476 7.248 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.605 8.598 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.065 6.946 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.545 4.318 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.115 5.955 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.043 5.550 -0.909 1.00 0.00 H new ATOM 405 N GLN A 26 -6.929 9.272 -0.040 1.00 0.00 N ATOM 406 CA GLN A 26 -7.266 10.525 0.643 1.00 0.00 C ATOM 407 C GLN A 26 -6.895 10.393 2.114 1.00 0.00 C ATOM 408 O GLN A 26 -6.701 11.381 2.822 1.00 0.00 O ATOM 409 CB GLN A 26 -8.764 10.815 0.512 1.00 0.00 C ATOM 410 CG GLN A 26 -9.076 12.178 1.136 1.00 0.00 C ATOM 411 CD GLN A 26 -10.546 12.515 0.925 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.219 11.879 0.115 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.090 13.490 1.603 1.00 0.00 N ATOM 0 H GLN A 26 -7.632 8.541 0.065 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.714 11.348 0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.056 10.808 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.341 10.035 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.846 12.162 2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.448 12.947 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.532 14.017 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.073 13.724 1.461 1.00 0.00 H new ATOM 422 N ASN A 27 -6.784 9.148 2.549 1.00 0.00 N ATOM 423 CA ASN A 27 -6.416 8.829 3.918 1.00 0.00 C ATOM 424 C ASN A 27 -5.731 7.479 3.927 1.00 0.00 C ATOM 425 O ASN A 27 -5.533 6.872 2.874 1.00 0.00 O ATOM 426 CB ASN A 27 -7.646 8.805 4.833 1.00 0.00 C ATOM 427 CG ASN A 27 -8.804 8.094 4.144 1.00 0.00 C ATOM 428 OD1 ASN A 27 -8.710 6.905 3.844 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.896 8.756 3.875 1.00 0.00 N ATOM 0 H ASN A 27 -6.947 8.330 1.962 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.742 9.597 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.403 8.298 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.937 9.824 5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.676 8.287 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.969 9.742 4.126 1.00 0.00 H new ATOM 436 N PHE A 28 -5.352 7.011 5.104 1.00 0.00 N ATOM 437 CA PHE A 28 -4.673 5.723 5.211 1.00 0.00 C ATOM 438 C PHE A 28 -5.638 4.653 5.699 1.00 0.00 C ATOM 439 O PHE A 28 -5.323 3.463 5.685 1.00 0.00 O ATOM 440 CB PHE A 28 -3.504 5.852 6.188 1.00 0.00 C ATOM 441 CG PHE A 28 -2.365 6.579 5.512 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.568 5.905 4.580 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.107 7.922 5.810 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.515 6.572 3.945 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.053 8.589 5.177 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.258 7.913 4.243 1.00 0.00 C ATOM 0 H PHE A 28 -5.499 7.493 5.991 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.302 5.431 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.819 6.395 7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.177 4.865 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.766 4.868 4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.722 8.443 6.529 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.099 6.051 3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.852 9.625 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.554 8.429 3.753 1.00 0.00 H new ATOM 456 N SER A 29 -6.800 5.094 6.157 1.00 0.00 N ATOM 457 CA SER A 29 -7.811 4.188 6.700 1.00 0.00 C ATOM 458 C SER A 29 -8.941 3.888 5.719 1.00 0.00 C ATOM 459 O SER A 29 -9.031 2.795 5.160 1.00 0.00 O ATOM 460 CB SER A 29 -8.412 4.825 7.952 1.00 0.00 C ATOM 461 OG SER A 29 -9.029 6.056 7.600 1.00 0.00 O ATOM 0 H SER A 29 -7.071 6.077 6.165 1.00 0.00 H new ATOM 0 HA SER A 29 -7.314 3.243 6.919 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.144 4.153 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.635 4.994 8.697 1.00 0.00 H new ATOM 0 HG SER A 29 -9.418 6.468 8.400 1.00 0.00 H new ATOM 467 N SER A 30 -9.827 4.856 5.552 1.00 0.00 N ATOM 468 CA SER A 30 -10.990 4.691 4.683 1.00 0.00 C ATOM 469 C SER A 30 -10.610 4.321 3.259 1.00 0.00 C ATOM 470 O SER A 30 -11.253 3.475 2.640 1.00 0.00 O ATOM 471 CB SER A 30 -11.799 5.987 4.651 1.00 0.00 C ATOM 472 OG SER A 30 -12.192 6.333 5.971 1.00 0.00 O ATOM 0 H SER A 30 -9.766 5.767 6.006 1.00 0.00 H new ATOM 0 HA SER A 30 -11.579 3.873 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.203 6.789 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.678 5.864 4.019 1.00 0.00 H new ATOM 0 HG SER A 30 -12.709 7.165 5.951 1.00 0.00 H new ATOM 478 N SER A 31 -9.590 4.968 2.733 1.00 0.00 N ATOM 479 CA SER A 31 -9.173 4.704 1.370 1.00 0.00 C ATOM 480 C SER A 31 -8.474 3.353 1.254 1.00 0.00 C ATOM 481 O SER A 31 -8.018 2.974 0.175 1.00 0.00 O ATOM 482 CB SER A 31 -8.244 5.812 0.891 1.00 0.00 C ATOM 483 OG SER A 31 -7.801 5.495 -0.418 1.00 0.00 O ATOM 0 H SER A 31 -9.039 5.673 3.222 1.00 0.00 H new ATOM 0 HA SER A 31 -10.064 4.677 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.765 6.770 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.393 5.910 1.565 1.00 0.00 H new ATOM 0 HG SER A 31 -8.320 6.008 -1.072 1.00 0.00 H new ATOM 489 N TRP A 32 -8.384 2.636 2.370 1.00 0.00 N ATOM 490 CA TRP A 32 -7.727 1.330 2.396 1.00 0.00 C ATOM 491 C TRP A 32 -8.721 0.205 2.697 1.00 0.00 C ATOM 492 O TRP A 32 -8.381 -0.972 2.590 1.00 0.00 O ATOM 493 CB TRP A 32 -6.661 1.360 3.480 1.00 0.00 C ATOM 494 CG TRP A 32 -5.539 2.220 3.035 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.611 3.558 2.884 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.187 1.832 2.690 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.381 4.017 2.452 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.467 2.988 2.327 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.526 0.599 2.654 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.131 2.922 1.946 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.180 0.526 2.267 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.483 1.687 1.916 1.00 0.00 C ATOM 0 H TRP A 32 -8.758 2.936 3.270 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.290 1.134 1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.082 1.742 4.410 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.303 0.351 3.683 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.483 4.168 3.069 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.173 4.995 2.250 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.056 -0.302 2.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.598 3.822 1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.679 -0.431 2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.445 1.627 1.622 1.00 0.00 H new ATOM 513 N SER A 33 -9.936 0.567 3.094 1.00 0.00 N ATOM 514 CA SER A 33 -10.944 -0.429 3.425 1.00 0.00 C ATOM 515 C SER A 33 -11.290 -1.294 2.218 1.00 0.00 C ATOM 516 O SER A 33 -12.030 -2.271 2.343 1.00 0.00 O ATOM 517 CB SER A 33 -12.209 0.268 3.919 1.00 0.00 C ATOM 518 OG SER A 33 -11.855 1.288 4.843 1.00 0.00 O ATOM 0 H SER A 33 -10.244 1.534 3.193 1.00 0.00 H new ATOM 0 HA SER A 33 -10.537 -1.072 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.753 0.697 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.873 -0.454 4.394 1.00 0.00 H new ATOM 0 HG SER A 33 -12.171 1.043 5.738 1.00 0.00 H new ATOM 524 N SER A 34 -10.761 -0.940 1.047 1.00 0.00 N ATOM 525 CA SER A 34 -11.041 -1.703 -0.169 1.00 0.00 C ATOM 526 C SER A 34 -9.998 -2.793 -0.403 1.00 0.00 C ATOM 527 O SER A 34 -10.251 -3.756 -1.125 1.00 0.00 O ATOM 528 CB SER A 34 -11.046 -0.762 -1.374 1.00 0.00 C ATOM 529 OG SER A 34 -11.714 -1.396 -2.456 1.00 0.00 O ATOM 0 H SER A 34 -10.143 -0.139 0.915 1.00 0.00 H new ATOM 0 HA SER A 34 -12.015 -2.176 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.546 0.173 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.024 -0.510 -1.659 1.00 0.00 H new ATOM 0 HG SER A 34 -12.143 -0.718 -3.018 1.00 0.00 H new ATOM 535 N GLY A 35 -8.816 -2.622 0.179 1.00 0.00 N ATOM 536 CA GLY A 35 -7.745 -3.590 -0.022 1.00 0.00 C ATOM 537 C GLY A 35 -7.106 -3.341 -1.377 1.00 0.00 C ATOM 538 O GLY A 35 -6.023 -3.841 -1.680 1.00 0.00 O ATOM 0 H GLY A 35 -8.578 -1.836 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.000 -3.498 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.140 -4.605 0.028 1.00 0.00 H new ATOM 542 N MET A 36 -7.799 -2.536 -2.175 1.00 0.00 N ATOM 543 CA MET A 36 -7.339 -2.175 -3.501 1.00 0.00 C ATOM 544 C MET A 36 -6.015 -1.422 -3.411 1.00 0.00 C ATOM 545 O MET A 36 -5.179 -1.511 -4.304 1.00 0.00 O ATOM 546 CB MET A 36 -8.393 -1.288 -4.172 1.00 0.00 C ATOM 547 CG MET A 36 -9.708 -2.062 -4.325 1.00 0.00 C ATOM 548 SD MET A 36 -9.582 -3.208 -5.722 1.00 0.00 S ATOM 549 CE MET A 36 -10.284 -2.107 -6.979 1.00 0.00 C ATOM 0 H MET A 36 -8.693 -2.119 -1.917 1.00 0.00 H new ATOM 0 HA MET A 36 -7.188 -3.080 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.557 -0.390 -3.577 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.037 -0.962 -5.149 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.926 -2.612 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.533 -1.368 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.049 -2.491 -7.972 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.366 -2.057 -6.856 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.860 -1.109 -6.867 1.00 0.00 H new ATOM 559 N ALA A 37 -5.840 -0.667 -2.329 1.00 0.00 N ATOM 560 CA ALA A 37 -4.616 0.109 -2.147 1.00 0.00 C ATOM 561 C ALA A 37 -3.398 -0.796 -1.932 1.00 0.00 C ATOM 562 O ALA A 37 -2.376 -0.629 -2.596 1.00 0.00 O ATOM 563 CB ALA A 37 -4.776 1.062 -0.955 1.00 0.00 C ATOM 0 H ALA A 37 -6.520 -0.576 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.447 0.684 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.860 1.638 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.608 1.741 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.974 0.485 -0.052 1.00 0.00 H new ATOM 569 N PHE A 38 -3.498 -1.737 -0.994 1.00 0.00 N ATOM 570 CA PHE A 38 -2.372 -2.632 -0.708 1.00 0.00 C ATOM 571 C PHE A 38 -1.959 -3.416 -1.954 1.00 0.00 C ATOM 572 O PHE A 38 -0.772 -3.542 -2.250 1.00 0.00 O ATOM 573 CB PHE A 38 -2.738 -3.614 0.438 1.00 0.00 C ATOM 574 CG PHE A 38 -2.251 -3.073 1.769 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.876 -2.929 1.987 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.160 -2.726 2.777 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.409 -2.436 3.209 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.687 -2.232 4.003 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.314 -2.089 4.216 1.00 0.00 C ATOM 0 H PHE A 38 -4.330 -1.900 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.528 -2.017 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.818 -3.760 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.290 -4.589 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.175 -3.199 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.221 -2.838 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.652 -2.323 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.385 -1.962 4.782 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.951 -1.710 5.160 1.00 0.00 H new ATOM 589 N CYS A 39 -2.936 -3.954 -2.666 1.00 0.00 N ATOM 590 CA CYS A 39 -2.642 -4.733 -3.862 1.00 0.00 C ATOM 591 C CYS A 39 -2.132 -3.842 -4.993 1.00 0.00 C ATOM 592 O CYS A 39 -1.157 -4.171 -5.669 1.00 0.00 O ATOM 593 CB CYS A 39 -3.900 -5.474 -4.319 1.00 0.00 C ATOM 594 SG CYS A 39 -5.042 -4.305 -5.091 1.00 0.00 S ATOM 0 H CYS A 39 -3.928 -3.869 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.860 -5.451 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.635 -6.260 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.379 -5.958 -3.468 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.239 -4.493 -4.620 1.00 0.00 H new ATOM 600 N ALA A 40 -2.821 -2.727 -5.200 1.00 0.00 N ATOM 601 CA ALA A 40 -2.476 -1.789 -6.264 1.00 0.00 C ATOM 602 C ALA A 40 -1.108 -1.141 -6.052 1.00 0.00 C ATOM 603 O ALA A 40 -0.340 -0.973 -6.997 1.00 0.00 O ATOM 604 CB ALA A 40 -3.540 -0.695 -6.322 1.00 0.00 C ATOM 0 H ALA A 40 -3.628 -2.448 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.433 -2.349 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.292 0.012 -7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.512 -1.143 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.576 -0.172 -5.367 1.00 0.00 H new ATOM 610 N LEU A 41 -0.824 -0.756 -4.817 1.00 0.00 N ATOM 611 CA LEU A 41 0.440 -0.100 -4.494 1.00 0.00 C ATOM 612 C LEU A 41 1.626 -1.030 -4.775 1.00 0.00 C ATOM 613 O LEU A 41 2.628 -0.617 -5.362 1.00 0.00 O ATOM 614 CB LEU A 41 0.410 0.317 -3.019 1.00 0.00 C ATOM 615 CG LEU A 41 1.690 1.064 -2.624 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.809 2.381 -3.414 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.627 1.373 -1.124 1.00 0.00 C ATOM 0 H LEU A 41 -1.449 -0.885 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 41 0.566 0.782 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.456 0.953 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.294 -0.567 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 41 2.558 0.445 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.722 2.899 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.841 2.163 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.948 3.014 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.530 1.905 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.755 1.993 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.551 0.441 -0.563 1.00 0.00 H new ATOM 629 N ILE A 42 1.492 -2.286 -4.368 1.00 0.00 N ATOM 630 CA ILE A 42 2.539 -3.286 -4.582 1.00 0.00 C ATOM 631 C ILE A 42 2.773 -3.534 -6.078 1.00 0.00 C ATOM 632 O ILE A 42 3.896 -3.809 -6.499 1.00 0.00 O ATOM 633 CB ILE A 42 2.137 -4.595 -3.862 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.603 -4.553 -2.390 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.728 -5.827 -4.564 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.097 -4.918 -2.266 1.00 0.00 C ATOM 0 H ILE A 42 0.666 -2.641 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 42 3.477 -2.916 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 42 1.051 -4.677 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.434 -3.557 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.006 -5.246 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.426 -6.729 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.363 -5.871 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.816 -5.756 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.395 -4.880 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.259 -5.924 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.694 -4.208 -2.839 1.00 0.00 H new ATOM 648 N HIS A 43 1.703 -3.475 -6.855 1.00 0.00 N ATOM 649 CA HIS A 43 1.786 -3.720 -8.294 1.00 0.00 C ATOM 650 C HIS A 43 2.731 -2.720 -8.963 1.00 0.00 C ATOM 651 O HIS A 43 3.452 -3.056 -9.903 1.00 0.00 O ATOM 652 CB HIS A 43 0.388 -3.605 -8.901 1.00 0.00 C ATOM 653 CG HIS A 43 0.410 -4.054 -10.337 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.260 -3.171 -11.392 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.548 -5.294 -10.906 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.306 -3.885 -12.531 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.481 -5.187 -12.291 1.00 0.00 N ATOM 0 H HIS A 43 0.765 -3.260 -6.517 1.00 0.00 H new ATOM 0 HA HIS A 43 2.181 -4.722 -8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.315 -4.213 -8.332 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.040 -2.574 -8.839 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.688 -6.216 -10.360 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.213 -3.458 -13.519 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.550 -5.940 -12.975 1.00 0.00 H new ATOM 665 N LYS A 44 2.702 -1.484 -8.476 1.00 0.00 N ATOM 666 CA LYS A 44 3.539 -0.421 -9.029 1.00 0.00 C ATOM 667 C LYS A 44 5.011 -0.820 -9.032 1.00 0.00 C ATOM 668 O LYS A 44 5.757 -0.472 -9.947 1.00 0.00 O ATOM 669 CB LYS A 44 3.366 0.856 -8.191 1.00 0.00 C ATOM 670 CG LYS A 44 4.307 1.973 -8.682 1.00 0.00 C ATOM 671 CD LYS A 44 3.952 2.369 -10.118 1.00 0.00 C ATOM 672 CE LYS A 44 4.620 3.698 -10.463 1.00 0.00 C ATOM 673 NZ LYS A 44 6.094 3.503 -10.527 1.00 0.00 N ATOM 0 H LYS A 44 2.109 -1.192 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 44 3.226 -0.244 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.332 1.196 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.571 0.638 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.226 2.841 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.342 1.634 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.280 1.595 -10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.871 2.455 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.248 4.068 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.373 4.449 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.543 4.367 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.459 3.299 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.312 2.706 -11.159 1.00 0.00 H new ATOM 687 N PHE A 45 5.428 -1.520 -7.987 1.00 0.00 N ATOM 688 CA PHE A 45 6.823 -1.932 -7.848 1.00 0.00 C ATOM 689 C PHE A 45 7.074 -3.308 -8.468 1.00 0.00 C ATOM 690 O PHE A 45 8.153 -3.568 -8.999 1.00 0.00 O ATOM 691 CB PHE A 45 7.187 -1.961 -6.358 1.00 0.00 C ATOM 692 CG PHE A 45 6.449 -0.862 -5.620 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.349 0.424 -6.173 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.863 -1.134 -4.378 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.664 1.434 -5.477 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.183 -0.129 -3.686 1.00 0.00 C ATOM 697 CZ PHE A 45 5.083 1.157 -4.235 1.00 0.00 C ATOM 0 H PHE A 45 4.823 -1.816 -7.221 1.00 0.00 H new ATOM 0 HA PHE A 45 7.448 -1.214 -8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.931 -2.931 -5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.263 -1.833 -6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.798 0.637 -7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.937 -2.124 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.586 2.424 -5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.734 -0.343 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.558 1.934 -3.699 1.00 0.00 H new ATOM 707 N PHE A 46 6.092 -4.196 -8.361 1.00 0.00 N ATOM 708 CA PHE A 46 6.230 -5.559 -8.878 1.00 0.00 C ATOM 709 C PHE A 46 5.222 -5.836 -10.004 1.00 0.00 C ATOM 710 O PHE A 46 4.047 -6.055 -9.728 1.00 0.00 O ATOM 711 CB PHE A 46 6.000 -6.513 -7.711 1.00 0.00 C ATOM 712 CG PHE A 46 7.092 -6.291 -6.695 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.342 -6.884 -6.879 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.858 -5.478 -5.580 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.360 -6.671 -5.947 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.877 -5.263 -4.647 1.00 0.00 C ATOM 717 CZ PHE A 46 9.126 -5.860 -4.830 1.00 0.00 C ATOM 0 H PHE A 46 5.192 -4.000 -7.922 1.00 0.00 H new ATOM 0 HA PHE A 46 7.224 -5.697 -9.303 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.022 -6.335 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.009 -7.546 -8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.522 -7.508 -7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.891 -5.017 -5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.327 -7.131 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.698 -4.636 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.913 -5.696 -4.109 1.00 0.00 H new ATOM 727 N PRO A 47 5.632 -5.835 -11.266 1.00 0.00 N ATOM 728 CA PRO A 47 4.695 -6.101 -12.403 1.00 0.00 C ATOM 729 C PRO A 47 4.337 -7.585 -12.508 1.00 0.00 C ATOM 730 O PRO A 47 3.188 -7.943 -12.765 1.00 0.00 O ATOM 731 CB PRO A 47 5.461 -5.630 -13.666 1.00 0.00 C ATOM 732 CG PRO A 47 6.797 -5.117 -13.196 1.00 0.00 C ATOM 733 CD PRO A 47 6.997 -5.591 -11.755 1.00 0.00 C ATOM 0 HA PRO A 47 3.747 -5.579 -12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.588 -6.452 -14.370 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.907 -4.848 -14.185 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.597 -5.490 -13.836 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.829 -4.029 -13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.603 -6.496 -11.713 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.507 -4.838 -11.155 1.00 0.00 H new ATOM 741 N GLU A 48 5.337 -8.432 -12.305 1.00 0.00 N ATOM 742 CA GLU A 48 5.130 -9.871 -12.372 1.00 0.00 C ATOM 743 C GLU A 48 4.244 -10.294 -11.209 1.00 0.00 C ATOM 744 O GLU A 48 3.918 -11.470 -11.040 1.00 0.00 O ATOM 745 CB GLU A 48 6.481 -10.597 -12.313 1.00 0.00 C ATOM 746 CG GLU A 48 7.274 -10.309 -13.595 1.00 0.00 C ATOM 747 CD GLU A 48 8.670 -10.918 -13.502 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.986 -11.472 -12.461 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.405 -10.817 -14.470 1.00 0.00 O ATOM 0 H GLU A 48 6.294 -8.149 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 48 4.643 -10.134 -13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.046 -10.266 -11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.325 -11.670 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.747 -10.720 -14.456 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.349 -9.233 -13.750 1.00 0.00 H new ATOM 756 N ALA A 49 3.875 -9.300 -10.408 1.00 0.00 N ATOM 757 CA ALA A 49 3.035 -9.516 -9.232 1.00 0.00 C ATOM 758 C ALA A 49 1.728 -10.194 -9.583 1.00 0.00 C ATOM 759 O ALA A 49 1.544 -11.391 -9.365 1.00 0.00 O ATOM 760 CB ALA A 49 2.705 -8.170 -8.588 1.00 0.00 C ATOM 0 H ALA A 49 4.147 -8.328 -10.553 1.00 0.00 H new ATOM 0 HA ALA A 49 3.593 -10.159 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.078 -8.330 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.628 -7.674 -8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.173 -7.545 -9.305 1.00 0.00 H new ATOM 766 N PHE A 50 0.822 -9.407 -10.142 1.00 0.00 N ATOM 767 CA PHE A 50 -0.477 -9.898 -10.542 1.00 0.00 C ATOM 768 C PHE A 50 -1.173 -8.856 -11.407 1.00 0.00 C ATOM 769 O PHE A 50 -0.815 -7.678 -11.391 1.00 0.00 O ATOM 770 CB PHE A 50 -1.332 -10.204 -9.305 1.00 0.00 C ATOM 771 CG PHE A 50 -1.100 -9.146 -8.246 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.651 -7.866 -8.395 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.336 -9.448 -7.109 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.437 -6.891 -7.410 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.123 -8.472 -6.126 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.673 -7.194 -6.277 1.00 0.00 C ATOM 0 H PHE A 50 0.970 -8.415 -10.328 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.349 -10.816 -11.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.387 -10.232 -9.579 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.078 -11.188 -8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.241 -7.630 -9.269 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.089 -10.434 -6.991 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.862 -5.905 -7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.466 -8.706 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.508 -6.442 -5.520 1.00 0.00 H new ATOM 786 N ASP A 51 -2.189 -9.289 -12.138 1.00 0.00 N ATOM 787 CA ASP A 51 -2.949 -8.381 -12.982 1.00 0.00 C ATOM 788 C ASP A 51 -3.980 -7.643 -12.134 1.00 0.00 C ATOM 789 O ASP A 51 -5.056 -8.168 -11.850 1.00 0.00 O ATOM 790 CB ASP A 51 -3.654 -9.165 -14.091 1.00 0.00 C ATOM 791 CG ASP A 51 -4.422 -8.212 -15.005 1.00 0.00 C ATOM 792 OD1 ASP A 51 -4.486 -7.036 -14.686 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.934 -8.673 -16.012 1.00 0.00 O ATOM 0 H ASP A 51 -2.505 -10.259 -12.164 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.270 -7.659 -13.437 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.922 -9.726 -14.672 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.339 -9.892 -13.654 1.00 0.00 H new ATOM 798 N TYR A 52 -3.633 -6.431 -11.711 1.00 0.00 N ATOM 799 CA TYR A 52 -4.520 -5.630 -10.876 1.00 0.00 C ATOM 800 C TYR A 52 -5.808 -5.312 -11.605 1.00 0.00 C ATOM 801 O TYR A 52 -6.810 -4.952 -10.988 1.00 0.00 O ATOM 802 CB TYR A 52 -3.828 -4.321 -10.500 1.00 0.00 C ATOM 803 CG TYR A 52 -4.810 -3.387 -9.817 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.254 -3.660 -8.518 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.285 -2.252 -10.492 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.169 -2.801 -7.895 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.198 -1.395 -9.868 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.640 -1.669 -8.570 1.00 0.00 C ATOM 809 OH TYR A 52 -7.540 -0.824 -7.952 1.00 0.00 O ATOM 0 H TYR A 52 -2.744 -5.983 -11.933 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.754 -6.204 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.986 -4.523 -9.838 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.423 -3.845 -11.393 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.891 -4.533 -7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.945 -2.040 -11.495 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.511 -3.013 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.561 -0.522 -10.389 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.886 -0.181 -8.605 1.00 0.00 H new ATOM 819 N ALA A 53 -5.775 -5.435 -12.915 1.00 0.00 N ATOM 820 CA ALA A 53 -6.950 -5.149 -13.724 1.00 0.00 C ATOM 821 C ALA A 53 -7.886 -6.349 -13.753 1.00 0.00 C ATOM 822 O ALA A 53 -9.077 -6.210 -14.024 1.00 0.00 O ATOM 823 CB ALA A 53 -6.516 -4.800 -15.147 1.00 0.00 C ATOM 0 H ALA A 53 -4.954 -5.729 -13.444 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.482 -4.305 -13.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.396 -4.586 -15.754 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.868 -3.924 -15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.974 -5.641 -15.579 1.00 0.00 H new ATOM 829 N GLU A 54 -7.338 -7.530 -13.487 1.00 0.00 N ATOM 830 CA GLU A 54 -8.124 -8.754 -13.492 1.00 0.00 C ATOM 831 C GLU A 54 -8.872 -8.925 -12.182 1.00 0.00 C ATOM 832 O GLU A 54 -9.851 -9.669 -12.105 1.00 0.00 O ATOM 833 CB GLU A 54 -7.180 -9.940 -13.675 1.00 0.00 C ATOM 834 CG GLU A 54 -7.966 -11.201 -14.062 1.00 0.00 C ATOM 835 CD GLU A 54 -8.597 -11.826 -12.822 1.00 0.00 C ATOM 836 OE1 GLU A 54 -7.898 -11.962 -11.829 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.772 -12.148 -12.878 1.00 0.00 O ATOM 0 H GLU A 54 -6.351 -7.663 -13.265 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.849 -8.702 -14.304 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.445 -9.711 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.628 -10.118 -12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.741 -10.948 -14.786 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.302 -11.919 -14.543 1.00 0.00 H new ATOM 844 N LEU A 55 -8.407 -8.238 -11.150 1.00 0.00 N ATOM 845 CA LEU A 55 -9.035 -8.333 -9.838 1.00 0.00 C ATOM 846 C LEU A 55 -10.383 -7.623 -9.812 1.00 0.00 C ATOM 847 O LEU A 55 -10.903 -7.211 -10.852 1.00 0.00 O ATOM 848 CB LEU A 55 -8.097 -7.713 -8.807 1.00 0.00 C ATOM 849 CG LEU A 55 -6.788 -8.528 -8.747 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.715 -7.755 -7.952 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.041 -9.900 -8.081 1.00 0.00 C ATOM 0 H LEU A 55 -7.603 -7.612 -11.193 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.215 -9.383 -9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.882 -6.678 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.574 -7.699 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.433 -8.687 -9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.796 -8.340 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.518 -6.800 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.071 -7.578 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.109 -10.464 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.413 -9.749 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.779 -10.455 -8.660 1.00 0.00 H new ATOM 863 N ASP A 56 -10.951 -7.498 -8.612 1.00 0.00 N ATOM 864 CA ASP A 56 -12.239 -6.853 -8.441 1.00 0.00 C ATOM 865 C ASP A 56 -12.413 -6.390 -6.984 1.00 0.00 C ATOM 866 O ASP A 56 -11.686 -6.849 -6.101 1.00 0.00 O ATOM 867 CB ASP A 56 -13.349 -7.855 -8.816 1.00 0.00 C ATOM 868 CG ASP A 56 -13.716 -7.727 -10.294 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.075 -6.634 -10.700 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.636 -8.724 -10.992 1.00 0.00 O ATOM 0 H ASP A 56 -10.532 -7.838 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.299 -5.977 -9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.015 -8.871 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.231 -7.676 -8.200 1.00 0.00 H new ATOM 875 N PRO A 57 -13.365 -5.522 -6.704 1.00 0.00 N ATOM 876 CA PRO A 57 -13.620 -5.042 -5.315 1.00 0.00 C ATOM 877 C PRO A 57 -14.323 -6.125 -4.503 1.00 0.00 C ATOM 878 O PRO A 57 -14.318 -6.109 -3.271 1.00 0.00 O ATOM 879 CB PRO A 57 -14.517 -3.791 -5.481 1.00 0.00 C ATOM 880 CG PRO A 57 -14.749 -3.620 -6.962 1.00 0.00 C ATOM 881 CD PRO A 57 -14.310 -4.915 -7.652 1.00 0.00 C ATOM 0 HA PRO A 57 -12.701 -4.805 -4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.462 -3.919 -4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.034 -2.909 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.801 -3.416 -7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.181 -2.771 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.158 -5.572 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.837 -4.714 -8.613 1.00 0.00 H new ATOM 889 N ALA A 58 -14.937 -7.055 -5.224 1.00 0.00 N ATOM 890 CA ALA A 58 -15.659 -8.151 -4.600 1.00 0.00 C ATOM 891 C ALA A 58 -14.686 -9.118 -3.935 1.00 0.00 C ATOM 892 O ALA A 58 -14.921 -9.595 -2.825 1.00 0.00 O ATOM 893 CB ALA A 58 -16.465 -8.899 -5.665 1.00 0.00 C ATOM 0 H ALA A 58 -14.948 -7.070 -6.244 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.329 -7.745 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.008 -9.722 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.174 -8.215 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.788 -9.294 -6.423 1.00 0.00 H new ATOM 899 N LYS A 59 -13.601 -9.405 -4.646 1.00 0.00 N ATOM 900 CA LYS A 59 -12.579 -10.331 -4.164 1.00 0.00 C ATOM 901 C LYS A 59 -11.541 -9.610 -3.296 1.00 0.00 C ATOM 902 O LYS A 59 -10.342 -9.681 -3.565 1.00 0.00 O ATOM 903 CB LYS A 59 -11.877 -10.972 -5.369 1.00 0.00 C ATOM 904 CG LYS A 59 -12.857 -11.885 -6.122 1.00 0.00 C ATOM 905 CD LYS A 59 -12.170 -12.490 -7.355 1.00 0.00 C ATOM 906 CE LYS A 59 -13.175 -13.346 -8.134 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.668 -14.444 -7.257 1.00 0.00 N ATOM 0 H LYS A 59 -13.405 -9.007 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.062 -11.094 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.503 -10.197 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.014 -11.548 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.206 -12.680 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.735 -11.316 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.781 -11.697 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.319 -13.098 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.010 -12.731 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.704 -13.760 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.066 -15.205 -7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.879 -14.819 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.404 -14.076 -6.621 1.00 0.00 H new ATOM 921 N ARG A 60 -12.007 -8.918 -2.259 1.00 0.00 N ATOM 922 CA ARG A 60 -11.107 -8.187 -1.370 1.00 0.00 C ATOM 923 C ARG A 60 -10.255 -9.129 -0.513 1.00 0.00 C ATOM 924 O ARG A 60 -9.067 -8.886 -0.316 1.00 0.00 O ATOM 925 CB ARG A 60 -11.924 -7.258 -0.466 1.00 0.00 C ATOM 926 CG ARG A 60 -12.799 -8.096 0.468 1.00 0.00 C ATOM 927 CD ARG A 60 -13.774 -7.190 1.214 1.00 0.00 C ATOM 928 NE ARG A 60 -14.725 -6.600 0.278 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.822 -7.253 -0.094 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.640 -7.718 0.808 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.078 -7.427 -1.361 1.00 0.00 N ATOM 0 H ARG A 60 -12.995 -8.848 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.427 -7.603 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.258 -6.621 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.547 -6.599 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.348 -8.842 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.174 -8.637 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.307 -7.763 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.227 -6.403 1.733 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.545 -5.669 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.438 -7.581 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.482 -8.219 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.437 -7.062 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.919 -7.928 -1.647 1.00 0.00 H new ATOM 945 N ARG A 61 -10.862 -10.189 0.010 1.00 0.00 N ATOM 946 CA ARG A 61 -10.125 -11.125 0.861 1.00 0.00 C ATOM 947 C ARG A 61 -8.834 -11.554 0.183 1.00 0.00 C ATOM 948 O ARG A 61 -7.740 -11.419 0.739 1.00 0.00 O ATOM 949 CB ARG A 61 -10.977 -12.366 1.109 1.00 0.00 C ATOM 950 CG ARG A 61 -12.149 -12.016 2.021 1.00 0.00 C ATOM 951 CD ARG A 61 -13.079 -13.224 2.130 1.00 0.00 C ATOM 952 NE ARG A 61 -14.206 -12.920 3.011 1.00 0.00 N ATOM 953 CZ ARG A 61 -14.188 -13.252 4.300 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.295 -12.729 5.096 1.00 0.00 N ATOM 955 NH2 ARG A 61 -15.055 -14.108 4.763 1.00 0.00 N ATOM 0 H ARG A 61 -11.844 -10.422 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.893 -10.628 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.346 -12.760 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.371 -13.149 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.785 -11.732 3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.692 -11.159 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.446 -13.499 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.528 -14.082 2.516 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.023 -12.443 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.611 -12.066 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.281 -12.983 6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.746 -14.523 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.042 -14.363 5.750 1.00 0.00 H new ATOM 969 N HIS A 62 -8.980 -12.062 -1.028 1.00 0.00 N ATOM 970 CA HIS A 62 -7.844 -12.515 -1.803 1.00 0.00 C ATOM 971 C HIS A 62 -6.896 -11.358 -2.102 1.00 0.00 C ATOM 972 O HIS A 62 -5.690 -11.547 -2.197 1.00 0.00 O ATOM 973 CB HIS A 62 -8.346 -13.117 -3.115 1.00 0.00 C ATOM 974 CG HIS A 62 -8.982 -14.458 -2.851 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.232 -15.605 -2.642 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.296 -14.850 -2.762 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.090 -16.623 -2.441 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.362 -16.217 -2.504 1.00 0.00 N ATOM 0 H HIS A 62 -9.880 -12.170 -1.496 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.300 -13.265 -1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.069 -12.447 -3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.518 -13.228 -3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.149 -14.197 -2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.788 -17.642 -2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.201 -16.786 -2.388 1.00 0.00 H new ATOM 986 N ASN A 63 -7.457 -10.164 -2.243 1.00 0.00 N ATOM 987 CA ASN A 63 -6.659 -8.971 -2.534 1.00 0.00 C ATOM 988 C ASN A 63 -5.676 -8.700 -1.407 1.00 0.00 C ATOM 989 O ASN A 63 -4.512 -8.376 -1.646 1.00 0.00 O ATOM 990 CB ASN A 63 -7.589 -7.763 -2.695 1.00 0.00 C ATOM 991 CG ASN A 63 -6.913 -6.661 -3.509 1.00 0.00 C ATOM 992 OD1 ASN A 63 -7.059 -5.416 -3.146 1.00 0.00 O flip ATOM 993 ND2 ASN A 63 -6.242 -6.940 -4.503 1.00 0.00 N flip ATOM 0 H ASN A 63 -8.459 -9.992 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.102 -9.138 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.511 -8.072 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.866 -7.378 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.129 -7.914 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.799 -6.197 -5.044 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.146 -8.841 -0.176 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.276 -8.613 0.963 1.00 0.00 C ATOM 1002 C PHE A 64 -4.211 -9.705 1.014 1.00 0.00 C ATOM 1003 O PHE A 64 -3.015 -9.416 1.011 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.093 -8.594 2.263 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.825 -7.270 2.399 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.126 -6.123 2.806 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.194 -7.187 2.120 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.798 -4.901 2.929 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.866 -5.963 2.246 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.167 -4.821 2.650 1.00 0.00 C ATOM 0 H PHE A 64 -7.103 -9.106 0.055 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.788 -7.644 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.809 -9.416 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.434 -8.744 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.070 -6.183 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.734 -8.068 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.259 -4.018 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.923 -5.902 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.684 -3.878 2.747 1.00 0.00 H new ATOM 1020 N THR A 65 -4.649 -10.961 1.043 1.00 0.00 N ATOM 1021 CA THR A 65 -3.705 -12.072 1.081 1.00 0.00 C ATOM 1022 C THR A 65 -2.712 -11.935 -0.062 1.00 0.00 C ATOM 1023 O THR A 65 -1.515 -12.154 0.106 1.00 0.00 O ATOM 1024 CB THR A 65 -4.431 -13.414 0.947 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.521 -13.461 1.854 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.452 -14.551 1.252 1.00 0.00 C ATOM 0 H THR A 65 -5.633 -11.231 1.041 1.00 0.00 H new ATOM 0 HA THR A 65 -3.187 -12.045 2.039 1.00 0.00 H new ATOM 0 HB THR A 65 -4.810 -13.524 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.984 -14.320 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.965 -15.508 1.158 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.621 -14.514 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.072 -14.441 2.268 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.231 -11.580 -1.229 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.408 -11.419 -2.417 1.00 0.00 C ATOM 1036 C LEU A 66 -1.370 -10.327 -2.217 1.00 0.00 C ATOM 1037 O LEU A 66 -0.201 -10.509 -2.542 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.314 -11.048 -3.588 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.515 -10.862 -4.882 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.900 -12.199 -5.323 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.474 -10.356 -5.962 1.00 0.00 C ATOM 0 H LEU A 66 -4.223 -11.397 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.884 -12.354 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.063 -11.827 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.851 -10.128 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.707 -10.148 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.335 -12.053 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.234 -12.568 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.694 -12.925 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.929 -10.215 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.270 -11.086 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.907 -9.406 -5.648 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.797 -9.187 -1.698 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.871 -8.093 -1.491 1.00 0.00 C ATOM 1055 C ALA A 67 0.226 -8.514 -0.537 1.00 0.00 C ATOM 1056 O ALA A 67 1.394 -8.164 -0.718 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.605 -6.885 -0.921 1.00 0.00 C ATOM 0 H ALA A 67 -2.760 -9.000 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.430 -7.824 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.899 -6.069 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.381 -6.569 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.060 -7.153 0.032 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.154 -9.274 0.480 1.00 0.00 N ATOM 1064 CA PHE A 68 0.810 -9.737 1.464 1.00 0.00 C ATOM 1065 C PHE A 68 1.571 -10.959 0.948 1.00 0.00 C ATOM 1066 O PHE A 68 2.799 -10.997 1.003 1.00 0.00 O ATOM 1067 CB PHE A 68 0.095 -10.063 2.782 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.530 -8.801 3.366 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.280 -7.717 3.732 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.922 -8.721 3.550 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.296 -6.559 4.276 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.495 -7.560 4.096 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.681 -6.481 4.457 1.00 0.00 C ATOM 0 H PHE A 68 -1.113 -9.580 0.644 1.00 0.00 H new ATOM 0 HA PHE A 68 1.534 -8.942 1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.676 -10.814 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.803 -10.490 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.350 -7.773 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.551 -9.553 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.332 -5.726 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.564 -7.501 4.237 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.122 -5.588 4.875 1.00 0.00 H new ATOM 1083 N SER A 69 0.848 -11.957 0.449 1.00 0.00 N ATOM 1084 CA SER A 69 1.493 -13.163 -0.061 1.00 0.00 C ATOM 1085 C SER A 69 2.409 -12.833 -1.236 1.00 0.00 C ATOM 1086 O SER A 69 3.422 -13.503 -1.452 1.00 0.00 O ATOM 1087 CB SER A 69 0.448 -14.186 -0.506 1.00 0.00 C ATOM 1088 OG SER A 69 1.107 -15.374 -0.926 1.00 0.00 O ATOM 0 H SER A 69 -0.170 -11.957 0.387 1.00 0.00 H new ATOM 0 HA SER A 69 2.089 -13.587 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.236 -14.406 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.151 -13.781 -1.321 1.00 0.00 H new ATOM 0 HG SER A 69 0.441 -16.034 -1.211 1.00 0.00 H new ATOM 1094 N THR A 70 2.075 -11.776 -1.975 1.00 0.00 N ATOM 1095 CA THR A 70 2.913 -11.360 -3.094 1.00 0.00 C ATOM 1096 C THR A 70 4.137 -10.607 -2.587 1.00 0.00 C ATOM 1097 O THR A 70 5.263 -10.876 -3.008 1.00 0.00 O ATOM 1098 CB THR A 70 2.131 -10.485 -4.071 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.942 -11.151 -4.462 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.993 -10.213 -5.301 1.00 0.00 C ATOM 0 H THR A 70 1.245 -11.202 -1.822 1.00 0.00 H new ATOM 0 HA THR A 70 3.238 -12.257 -3.622 1.00 0.00 H new ATOM 0 HB THR A 70 1.871 -9.542 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.394 -11.334 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.440 -9.588 -6.002 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.906 -9.699 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.250 -11.157 -5.781 1.00 0.00 H new ATOM 1108 N ALA A 71 3.908 -9.663 -1.679 1.00 0.00 N ATOM 1109 CA ALA A 71 5.002 -8.878 -1.122 1.00 0.00 C ATOM 1110 C ALA A 71 5.961 -9.763 -0.334 1.00 0.00 C ATOM 1111 O ALA A 71 7.165 -9.512 -0.307 1.00 0.00 O ATOM 1112 CB ALA A 71 4.459 -7.777 -0.209 1.00 0.00 C ATOM 0 H ALA A 71 2.984 -9.425 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 71 5.543 -8.424 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.289 -7.200 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.806 -7.118 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.894 -8.227 0.608 1.00 0.00 H new ATOM 1118 N GLU A 72 5.426 -10.795 0.309 1.00 0.00 N ATOM 1119 CA GLU A 72 6.265 -11.694 1.089 1.00 0.00 C ATOM 1120 C GLU A 72 7.115 -12.569 0.176 1.00 0.00 C ATOM 1121 O GLU A 72 8.322 -12.692 0.360 1.00 0.00 O ATOM 1122 CB GLU A 72 5.396 -12.581 1.992 1.00 0.00 C ATOM 1123 CG GLU A 72 6.260 -13.231 3.081 1.00 0.00 C ATOM 1124 CD GLU A 72 7.174 -14.287 2.464 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.795 -14.852 1.451 1.00 0.00 O ATOM 1126 OE2 GLU A 72 8.238 -14.517 3.016 1.00 0.00 O ATOM 0 H GLU A 72 4.433 -11.027 0.306 1.00 0.00 H new ATOM 0 HA GLU A 72 6.927 -11.088 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.607 -11.985 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.907 -13.352 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.857 -12.471 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.622 -13.688 3.838 1.00 0.00 H new ATOM 1133 N LYS A 73 6.491 -13.200 -0.803 1.00 0.00 N ATOM 1134 CA LYS A 73 7.241 -14.071 -1.692 1.00 0.00 C ATOM 1135 C LYS A 73 8.334 -13.290 -2.426 1.00 0.00 C ATOM 1136 O LYS A 73 9.444 -13.792 -2.616 1.00 0.00 O ATOM 1137 CB LYS A 73 6.297 -14.716 -2.717 1.00 0.00 C ATOM 1138 CG LYS A 73 5.409 -15.791 -2.047 1.00 0.00 C ATOM 1139 CD LYS A 73 6.107 -17.165 -2.076 1.00 0.00 C ATOM 1140 CE LYS A 73 5.852 -17.853 -3.423 1.00 0.00 C ATOM 1141 NZ LYS A 73 6.485 -19.198 -3.417 1.00 0.00 N ATOM 0 H LYS A 73 5.493 -13.130 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 73 7.711 -14.848 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.668 -13.950 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.879 -15.168 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.198 -15.506 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.451 -15.853 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.178 -17.042 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.735 -17.789 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.780 -17.944 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.260 -17.250 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.313 -19.667 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.509 -19.099 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.076 -19.771 -2.651 1.00 0.00 H new ATOM 1155 N LEU A 74 8.007 -12.072 -2.851 1.00 0.00 N ATOM 1156 CA LEU A 74 8.953 -11.242 -3.583 1.00 0.00 C ATOM 1157 C LEU A 74 9.987 -10.566 -2.678 1.00 0.00 C ATOM 1158 O LEU A 74 11.170 -10.535 -3.019 1.00 0.00 O ATOM 1159 CB LEU A 74 8.190 -10.168 -4.365 1.00 0.00 C ATOM 1160 CG LEU A 74 7.311 -10.816 -5.453 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.478 -9.732 -6.142 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.192 -11.532 -6.499 1.00 0.00 C ATOM 0 H LEU A 74 7.095 -11.641 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 74 9.499 -11.903 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.568 -9.587 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.894 -9.474 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 74 6.652 -11.549 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.855 -10.187 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.843 -9.238 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.142 -8.998 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.557 -11.985 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.861 -10.810 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.780 -12.308 -6.009 1.00 0.00 H new ATOM 1174 N ALA A 75 9.553 -9.988 -1.550 1.00 0.00 N ATOM 1175 CA ALA A 75 10.491 -9.279 -0.660 1.00 0.00 C ATOM 1176 C ALA A 75 10.440 -9.780 0.779 1.00 0.00 C ATOM 1177 O ALA A 75 11.062 -9.183 1.657 1.00 0.00 O ATOM 1178 CB ALA A 75 10.167 -7.781 -0.684 1.00 0.00 C ATOM 0 H ALA A 75 8.583 -9.994 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 75 11.498 -9.471 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.856 -7.249 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.269 -7.403 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.145 -7.624 -0.340 1.00 0.00 H new ATOM 1184 N ASP A 76 9.729 -10.870 1.039 1.00 0.00 N ATOM 1185 CA ASP A 76 9.668 -11.391 2.401 1.00 0.00 C ATOM 1186 C ASP A 76 9.398 -10.252 3.383 1.00 0.00 C ATOM 1187 O ASP A 76 9.942 -10.222 4.486 1.00 0.00 O ATOM 1188 CB ASP A 76 10.988 -12.075 2.739 1.00 0.00 C ATOM 1189 CG ASP A 76 11.164 -13.322 1.873 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.245 -14.121 1.827 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.218 -13.460 1.274 1.00 0.00 O ATOM 0 H ASP A 76 9.199 -11.399 0.347 1.00 0.00 H new ATOM 0 HA ASP A 76 8.858 -12.116 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.817 -11.387 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.006 -12.349 3.794 1.00 0.00 H new ATOM 1196 N CYS A 77 8.570 -9.309 2.943 1.00 0.00 N ATOM 1197 CA CYS A 77 8.223 -8.134 3.740 1.00 0.00 C ATOM 1198 C CYS A 77 7.779 -8.498 5.161 1.00 0.00 C ATOM 1199 O CYS A 77 7.996 -9.611 5.638 1.00 0.00 O ATOM 1200 CB CYS A 77 7.099 -7.370 3.031 1.00 0.00 C ATOM 1201 SG CYS A 77 7.708 -6.723 1.456 1.00 0.00 S ATOM 0 H CYS A 77 8.121 -9.336 2.027 1.00 0.00 H new ATOM 0 HA CYS A 77 9.116 -7.516 3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.248 -8.030 2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.748 -6.552 3.660 1.00 0.00 H new ATOM 0 HG CYS A 77 8.705 -5.918 1.674 1.00 0.00 H new ATOM 1207 N ALA A 78 7.140 -7.529 5.817 1.00 0.00 N ATOM 1208 CA ALA A 78 6.643 -7.707 7.177 1.00 0.00 C ATOM 1209 C ALA A 78 5.254 -8.343 7.157 1.00 0.00 C ATOM 1210 O ALA A 78 4.624 -8.443 6.105 1.00 0.00 O ATOM 1211 CB ALA A 78 6.578 -6.347 7.884 1.00 0.00 C ATOM 0 H ALA A 78 6.955 -6.607 5.423 1.00 0.00 H new ATOM 0 HA ALA A 78 7.323 -8.366 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.206 -6.482 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.574 -5.906 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.907 -5.685 7.337 1.00 0.00 H new ATOM 1217 N GLN A 79 4.783 -8.776 8.327 1.00 0.00 N ATOM 1218 CA GLN A 79 3.464 -9.405 8.446 1.00 0.00 C ATOM 1219 C GLN A 79 2.694 -8.783 9.604 1.00 0.00 C ATOM 1220 O GLN A 79 2.048 -9.483 10.382 1.00 0.00 O ATOM 1221 CB GLN A 79 3.638 -10.902 8.704 1.00 0.00 C ATOM 1222 CG GLN A 79 4.274 -11.554 7.478 1.00 0.00 C ATOM 1223 CD GLN A 79 4.512 -13.039 7.735 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.810 -13.434 8.862 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.402 -13.888 6.750 1.00 0.00 N ATOM 0 H GLN A 79 5.294 -8.703 9.207 1.00 0.00 H new ATOM 0 HA GLN A 79 2.909 -9.250 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.265 -11.061 9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.672 -11.361 8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.625 -11.427 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.218 -11.062 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.155 -13.558 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.563 -14.882 6.913 1.00 0.00 H new ATOM 1234 N LEU A 80 2.793 -7.466 9.725 1.00 0.00 N ATOM 1235 CA LEU A 80 2.130 -6.751 10.814 1.00 0.00 C ATOM 1236 C LEU A 80 0.607 -6.744 10.638 1.00 0.00 C ATOM 1237 O LEU A 80 -0.129 -6.526 11.600 1.00 0.00 O ATOM 1238 CB LEU A 80 2.610 -5.293 10.873 1.00 0.00 C ATOM 1239 CG LEU A 80 4.124 -5.200 10.661 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.527 -3.731 10.678 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.870 -5.934 11.767 1.00 0.00 C ATOM 0 H LEU A 80 3.322 -6.871 9.088 1.00 0.00 H new ATOM 0 HA LEU A 80 2.385 -7.273 11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.097 -4.707 10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.348 -4.860 11.838 1.00 0.00 H new ATOM 0 HG LEU A 80 4.379 -5.660 9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.603 -3.647 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.007 -3.202 9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.259 -3.291 11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.944 -5.855 11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.622 -5.489 12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.579 -6.984 11.767 1.00 0.00 H new ATOM 1253 N LEU A 81 0.132 -6.961 9.405 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.325 -6.949 9.123 1.00 0.00 C ATOM 1255 C LEU A 81 -1.835 -8.310 8.651 1.00 0.00 C ATOM 1256 O LEU A 81 -1.200 -8.981 7.840 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.658 -5.910 8.031 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.744 -4.691 8.158 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.001 -3.730 6.997 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.037 -3.974 9.470 1.00 0.00 C ATOM 0 H LEU A 81 0.719 -7.145 8.591 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.816 -6.693 10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.541 -6.359 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.700 -5.602 8.119 1.00 0.00 H new ATOM 0 HG LEU A 81 0.295 -5.018 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.348 -2.863 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.798 -4.237 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.041 -3.405 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.386 -3.104 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.078 -3.651 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.857 -4.653 10.304 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.013 -8.688 9.158 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.653 -9.947 8.788 1.00 0.00 C ATOM 1274 C GLU A 82 -4.867 -9.683 7.908 1.00 0.00 C ATOM 1275 O GLU A 82 -5.574 -8.692 8.086 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.080 -10.691 10.047 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.845 -10.933 10.925 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.540 -9.689 11.757 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -3.202 -8.684 11.555 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -1.646 -9.759 12.582 1.00 0.00 O ATOM 0 H GLU A 82 -3.543 -8.133 9.830 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.942 -10.556 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.823 -10.111 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.547 -11.640 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.018 -11.786 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.987 -11.181 10.299 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.090 -10.574 6.951 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.199 -10.437 6.016 1.00 0.00 C ATOM 1289 C VAL A 83 -7.540 -10.379 6.745 1.00 0.00 C ATOM 1290 O VAL A 83 -8.353 -9.487 6.503 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.173 -11.659 5.090 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.435 -11.693 4.214 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.900 -11.622 4.223 1.00 0.00 C ATOM 0 H VAL A 83 -4.515 -11.403 6.802 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.090 -9.509 5.455 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.159 -12.568 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.402 -12.566 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.318 -11.748 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.481 -10.789 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.882 -12.491 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.895 -10.712 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.021 -11.637 4.867 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.770 -11.346 7.613 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.023 -11.416 8.352 1.00 0.00 C ATOM 1305 C ASP A 84 -9.288 -10.119 9.109 1.00 0.00 C ATOM 1306 O ASP A 84 -10.396 -9.582 9.070 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.966 -12.584 9.335 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.646 -12.550 10.095 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -7.455 -11.630 10.875 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -6.841 -13.444 9.887 1.00 0.00 O ATOM 0 H ASP A 84 -7.109 -12.094 7.826 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.836 -11.567 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.801 -12.525 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.064 -13.528 8.799 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.272 -9.623 9.802 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.419 -8.393 10.566 1.00 0.00 C ATOM 1317 C ASP A 85 -8.721 -7.233 9.631 1.00 0.00 C ATOM 1318 O ASP A 85 -9.596 -6.415 9.899 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.126 -8.109 11.335 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.376 -7.077 12.426 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.509 -6.965 12.861 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -6.428 -6.416 12.818 1.00 0.00 O ATOM 0 H ASP A 85 -7.346 -10.049 9.851 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.243 -8.507 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.748 -9.031 11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.360 -7.746 10.650 1.00 0.00 H new ATOM 1327 N MET A 86 -7.998 -7.175 8.522 1.00 0.00 N ATOM 1328 CA MET A 86 -8.210 -6.114 7.552 1.00 0.00 C ATOM 1329 C MET A 86 -9.619 -6.202 6.990 1.00 0.00 C ATOM 1330 O MET A 86 -10.324 -5.200 6.869 1.00 0.00 O ATOM 1331 CB MET A 86 -7.204 -6.274 6.403 1.00 0.00 C ATOM 1332 CG MET A 86 -5.795 -5.794 6.830 1.00 0.00 C ATOM 1333 SD MET A 86 -5.018 -4.908 5.462 1.00 0.00 S ATOM 1334 CE MET A 86 -5.656 -3.267 5.882 1.00 0.00 C ATOM 0 H MET A 86 -7.268 -7.843 8.274 1.00 0.00 H new ATOM 0 HA MET A 86 -8.073 -5.149 8.039 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.159 -7.319 6.097 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.540 -5.703 5.538 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.870 -5.144 7.702 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.181 -6.647 7.120 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.709 -2.656 4.981 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.652 -3.364 6.314 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.992 -2.792 6.604 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.011 -7.418 6.665 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.330 -7.684 6.125 1.00 0.00 C ATOM 1346 C VAL A 87 -12.402 -7.504 7.195 1.00 0.00 C ATOM 1347 O VAL A 87 -13.475 -6.959 6.927 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.375 -9.105 5.567 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.809 -9.463 5.158 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.452 -9.191 4.347 1.00 0.00 C ATOM 0 H VAL A 87 -9.426 -8.247 6.767 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.531 -6.973 5.324 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.043 -9.807 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.832 -10.478 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.462 -9.399 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.154 -8.767 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.478 -10.203 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.788 -8.487 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.432 -8.945 4.644 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.116 -7.975 8.407 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.060 -7.875 9.505 1.00 0.00 C ATOM 1362 C ARG A 88 -13.215 -6.439 9.989 1.00 0.00 C ATOM 1363 O ARG A 88 -14.330 -5.971 10.218 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.557 -8.762 10.652 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.430 -8.559 11.883 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.082 -9.594 12.953 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.714 -9.392 13.420 1.00 0.00 N ATOM 1368 CZ ARG A 88 -11.438 -8.523 14.389 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -12.187 -8.476 15.457 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -10.419 -7.718 14.270 1.00 0.00 N ATOM 0 H ARG A 88 -11.235 -8.429 8.648 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.040 -8.206 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.577 -9.809 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.521 -8.517 10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.286 -7.554 12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.482 -8.646 11.610 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.776 -9.511 13.789 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.191 -10.599 12.547 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.956 -9.927 12.996 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.984 -9.106 15.549 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.975 -7.810 16.200 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.835 -7.755 13.435 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.206 -7.051 15.012 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.095 -5.756 10.162 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.130 -4.384 10.637 1.00 0.00 C ATOM 1386 C LEU A 89 -12.827 -3.490 9.620 1.00 0.00 C ATOM 1387 O LEU A 89 -13.719 -2.714 9.962 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.699 -3.880 10.861 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.064 -4.580 12.077 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.552 -4.313 12.085 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.675 -4.049 13.388 1.00 0.00 C ATOM 0 H LEU A 89 -11.161 -6.124 9.983 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.683 -4.352 11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.098 -4.067 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.708 -2.801 11.018 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.257 -5.650 12.004 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.100 -4.807 12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.109 -4.702 11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.372 -3.240 12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.214 -4.556 14.236 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.496 -2.977 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.748 -4.239 13.392 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.370 -3.576 8.377 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.909 -2.735 7.319 1.00 0.00 C ATOM 1405 C ALA A 90 -12.583 -1.290 7.675 1.00 0.00 C ATOM 1406 O ALA A 90 -13.208 -0.347 7.193 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.427 -2.927 7.195 1.00 0.00 C ATOM 0 H ALA A 90 -11.633 -4.215 8.079 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.468 -3.003 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.811 -2.289 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.644 -3.969 6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.906 -2.659 8.137 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.570 -1.164 8.534 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.082 0.128 9.014 1.00 0.00 C ATOM 1415 C VAL A 91 -9.676 -0.045 9.610 1.00 0.00 C ATOM 1416 O VAL A 91 -9.542 -0.289 10.808 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.023 0.675 10.106 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.400 1.925 10.754 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.382 1.045 9.494 1.00 0.00 C ATOM 0 H VAL A 91 -11.063 -1.961 8.918 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.050 0.827 8.178 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.167 -0.096 10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.069 2.307 11.525 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.442 1.663 11.203 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.247 2.691 9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.039 1.430 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.241 1.808 8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.832 0.160 9.045 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.631 0.072 8.822 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.239 -0.079 9.330 1.00 0.00 C ATOM 1431 C PRO A 92 -6.822 1.120 10.175 1.00 0.00 C ATOM 1432 O PRO A 92 -7.632 2.000 10.464 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.363 -0.221 8.063 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.299 -0.164 6.883 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.650 0.359 7.384 1.00 0.00 C ATOM 0 HA PRO A 92 -7.136 -0.942 9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.625 0.579 8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.813 -1.162 8.076 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.899 0.491 6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.413 -1.152 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.761 1.426 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.481 -0.143 6.888 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.548 1.149 10.555 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.013 2.245 11.355 1.00 0.00 C ATOM 1445 C ASP A 93 -3.853 2.913 10.626 1.00 0.00 C ATOM 1446 O ASP A 93 -2.946 2.245 10.126 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.562 1.716 12.715 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.674 0.875 13.336 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.828 1.154 13.053 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.357 -0.036 14.082 1.00 0.00 O ATOM 0 H ASP A 93 -4.867 0.426 10.322 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.793 2.991 11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.660 1.115 12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.311 2.547 13.374 1.00 0.00 H new ATOM 1455 N SER A 94 -3.911 4.238 10.550 1.00 0.00 N ATOM 1456 CA SER A 94 -2.884 5.009 9.858 1.00 0.00 C ATOM 1457 C SER A 94 -1.492 4.583 10.296 1.00 0.00 C ATOM 1458 O SER A 94 -0.544 4.617 9.512 1.00 0.00 O ATOM 1459 CB SER A 94 -3.069 6.496 10.150 1.00 0.00 C ATOM 1460 OG SER A 94 -2.963 6.716 11.551 1.00 0.00 O ATOM 0 H SER A 94 -4.657 4.800 10.959 1.00 0.00 H new ATOM 0 HA SER A 94 -2.985 4.824 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.315 7.079 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.042 6.831 9.790 1.00 0.00 H new ATOM 0 HG SER A 94 -3.080 7.670 11.742 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.380 4.163 11.546 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.101 3.717 12.072 1.00 0.00 C ATOM 1468 C LYS A 95 0.230 2.328 11.557 1.00 0.00 C ATOM 1469 O LYS A 95 1.392 2.008 11.327 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.141 3.696 13.597 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.096 2.598 14.075 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.347 2.753 15.577 1.00 0.00 C ATOM 1473 CE LYS A 95 -0.067 2.446 16.360 1.00 0.00 C ATOM 1474 NZ LYS A 95 -0.402 2.253 17.799 1.00 0.00 N ATOM 0 H LYS A 95 -2.153 4.122 12.210 1.00 0.00 H new ATOM 0 HA LYS A 95 0.669 4.413 11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.859 3.520 13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.468 4.665 13.975 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.038 2.659 13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.671 1.616 13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.681 3.767 15.795 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.145 2.080 15.891 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.409 1.550 15.963 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.646 3.263 16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.466 2.044 18.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.839 3.120 18.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.068 1.460 17.897 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.800 1.506 11.377 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.607 0.147 10.885 1.00 0.00 C ATOM 1490 C CYS A 96 -0.163 0.163 9.427 1.00 0.00 C ATOM 1491 O CYS A 96 0.701 -0.611 9.009 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.905 -0.651 11.023 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.180 -1.078 12.759 1.00 0.00 S ATOM 0 H CYS A 96 -1.771 1.756 11.563 1.00 0.00 H new ATOM 0 HA CYS A 96 0.171 -0.328 11.482 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.744 -0.066 10.645 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.851 -1.557 10.420 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.285 -1.754 12.870 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.772 1.045 8.652 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.434 1.175 7.247 1.00 0.00 C ATOM 1501 C VAL A 97 0.902 1.874 7.118 1.00 0.00 C ATOM 1502 O VAL A 97 1.746 1.496 6.307 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.498 1.999 6.524 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.130 2.138 5.046 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.858 1.314 6.654 1.00 0.00 C ATOM 0 H VAL A 97 -1.502 1.681 8.973 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.383 0.182 6.801 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.550 2.990 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.892 2.726 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.165 2.638 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.070 1.149 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.614 1.905 6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.809 0.320 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.123 1.228 7.708 1.00 0.00 H new ATOM 1515 N TYR A 98 1.071 2.919 7.910 1.00 0.00 N ATOM 1516 CA TYR A 98 2.292 3.696 7.871 1.00 0.00 C ATOM 1517 C TYR A 98 3.487 2.843 8.252 1.00 0.00 C ATOM 1518 O TYR A 98 4.475 2.778 7.522 1.00 0.00 O ATOM 1519 CB TYR A 98 2.178 4.866 8.852 1.00 0.00 C ATOM 1520 CG TYR A 98 3.480 5.626 8.898 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.554 5.127 9.645 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.616 6.825 8.191 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.765 5.825 9.681 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.827 7.527 8.233 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.902 7.026 8.977 1.00 0.00 C ATOM 1526 OH TYR A 98 7.099 7.710 9.009 1.00 0.00 O ATOM 0 H TYR A 98 0.379 3.246 8.585 1.00 0.00 H new ATOM 0 HA TYR A 98 2.436 4.066 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.370 5.530 8.547 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.928 4.495 9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.447 4.203 10.193 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.788 7.209 7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.595 5.437 10.253 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.932 8.455 7.691 1.00 0.00 H new ATOM 0 HH TYR A 98 7.026 8.523 8.467 1.00 0.00 H new ATOM 1536 N THR A 99 3.385 2.193 9.400 1.00 0.00 N ATOM 1537 CA THR A 99 4.470 1.355 9.876 1.00 0.00 C ATOM 1538 C THR A 99 4.777 0.263 8.864 1.00 0.00 C ATOM 1539 O THR A 99 5.942 -0.026 8.582 1.00 0.00 O ATOM 1540 CB THR A 99 4.108 0.731 11.226 1.00 0.00 C ATOM 1541 OG1 THR A 99 5.255 0.105 11.779 1.00 0.00 O ATOM 1542 CG2 THR A 99 3.005 -0.304 11.034 1.00 0.00 C ATOM 0 H THR A 99 2.571 2.229 10.013 1.00 0.00 H new ATOM 0 HA THR A 99 5.356 1.977 10.003 1.00 0.00 H new ATOM 0 HB THR A 99 3.756 1.510 11.902 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.025 -0.294 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.750 -0.746 11.997 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.124 0.178 10.611 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.352 -1.084 10.357 1.00 0.00 H new ATOM 1550 N TYR A 100 3.729 -0.338 8.308 1.00 0.00 N ATOM 1551 CA TYR A 100 3.899 -1.386 7.317 1.00 0.00 C ATOM 1552 C TYR A 100 4.630 -0.839 6.099 1.00 0.00 C ATOM 1553 O TYR A 100 5.612 -1.416 5.627 1.00 0.00 O ATOM 1554 CB TYR A 100 2.519 -1.862 6.879 1.00 0.00 C ATOM 1555 CG TYR A 100 2.675 -3.013 5.923 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.885 -2.767 4.563 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.602 -4.326 6.396 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.021 -3.837 3.673 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.738 -5.396 5.508 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.948 -5.154 4.145 1.00 0.00 C ATOM 1561 OH TYR A 100 3.082 -6.211 3.269 1.00 0.00 O ATOM 0 H TYR A 100 2.758 -0.116 8.528 1.00 0.00 H new ATOM 0 HA TYR A 100 4.476 -2.204 7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.935 -2.170 7.746 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.975 -1.048 6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.942 -1.751 4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.441 -4.513 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.182 -3.648 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.681 -6.411 5.873 1.00 0.00 H new ATOM 0 HH TYR A 100 3.246 -7.035 3.773 1.00 0.00 H new ATOM 1571 N ILE A 101 4.133 0.289 5.605 1.00 0.00 N ATOM 1572 CA ILE A 101 4.718 0.950 4.445 1.00 0.00 C ATOM 1573 C ILE A 101 6.162 1.318 4.762 1.00 0.00 C ATOM 1574 O ILE A 101 7.040 1.250 3.901 1.00 0.00 O ATOM 1575 CB ILE A 101 3.906 2.213 4.099 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.502 1.821 3.571 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.647 3.051 3.048 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.533 1.480 2.070 1.00 0.00 C ATOM 0 H ILE A 101 3.320 0.768 5.993 1.00 0.00 H new ATOM 0 HA ILE A 101 4.696 0.280 3.586 1.00 0.00 H new ATOM 0 HB ILE A 101 3.788 2.808 5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.129 0.964 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.806 2.642 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.062 3.940 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.619 3.350 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.787 2.459 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.531 1.210 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.881 2.346 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.209 0.642 1.901 1.00 0.00 H new ATOM 1590 N GLN A 102 6.391 1.714 6.010 1.00 0.00 N ATOM 1591 CA GLN A 102 7.723 2.099 6.459 1.00 0.00 C ATOM 1592 C GLN A 102 8.725 0.989 6.183 1.00 0.00 C ATOM 1593 O GLN A 102 9.737 1.196 5.514 1.00 0.00 O ATOM 1594 CB GLN A 102 7.696 2.370 7.968 1.00 0.00 C ATOM 1595 CG GLN A 102 8.888 3.245 8.350 1.00 0.00 C ATOM 1596 CD GLN A 102 8.862 3.550 9.842 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.907 3.059 10.584 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 9.733 4.257 10.344 1.00 0.00 N flip ATOM 0 H GLN A 102 5.670 1.777 6.729 1.00 0.00 H new ATOM 0 HA GLN A 102 8.022 2.996 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.765 2.866 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.731 1.429 8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.818 2.738 8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.863 4.174 7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.478 4.639 9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.711 4.461 11.343 1.00 0.00 H new ATOM 1607 N GLU A 103 8.437 -0.190 6.717 1.00 0.00 N ATOM 1608 CA GLU A 103 9.325 -1.324 6.528 1.00 0.00 C ATOM 1609 C GLU A 103 9.450 -1.624 5.040 1.00 0.00 C ATOM 1610 O GLU A 103 10.549 -1.839 4.522 1.00 0.00 O ATOM 1611 CB GLU A 103 8.773 -2.539 7.273 1.00 0.00 C ATOM 1612 CG GLU A 103 8.843 -2.293 8.783 1.00 0.00 C ATOM 1613 CD GLU A 103 10.297 -2.213 9.236 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.049 -3.115 8.905 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.637 -1.252 9.905 1.00 0.00 O ATOM 0 H GLU A 103 7.607 -0.383 7.277 1.00 0.00 H new ATOM 0 HA GLU A 103 10.312 -1.090 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.742 -2.725 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.346 -3.429 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.325 -1.367 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.333 -3.097 9.314 1.00 0.00 H new ATOM 1622 N LEU A 104 8.313 -1.638 4.360 1.00 0.00 N ATOM 1623 CA LEU A 104 8.280 -1.910 2.933 1.00 0.00 C ATOM 1624 C LEU A 104 9.091 -0.874 2.169 1.00 0.00 C ATOM 1625 O LEU A 104 9.854 -1.207 1.263 1.00 0.00 O ATOM 1626 CB LEU A 104 6.829 -1.831 2.473 1.00 0.00 C ATOM 1627 CG LEU A 104 6.688 -2.210 0.992 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.014 -3.697 0.785 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.247 -1.934 0.547 1.00 0.00 C ATOM 0 H LEU A 104 7.398 -1.463 4.777 1.00 0.00 H new ATOM 0 HA LEU A 104 8.704 -2.896 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.217 -2.498 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.451 -0.821 2.629 1.00 0.00 H new ATOM 0 HG LEU A 104 7.385 -1.617 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.909 -3.949 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.037 -3.893 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.327 -4.305 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.134 -2.199 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.560 -2.530 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.021 -0.876 0.681 1.00 0.00 H new ATOM 1641 N TYR A 105 8.915 0.384 2.546 1.00 0.00 N ATOM 1642 CA TYR A 105 9.621 1.477 1.896 1.00 0.00 C ATOM 1643 C TYR A 105 11.108 1.201 1.921 1.00 0.00 C ATOM 1644 O TYR A 105 11.809 1.358 0.920 1.00 0.00 O ATOM 1645 CB TYR A 105 9.342 2.767 2.664 1.00 0.00 C ATOM 1646 CG TYR A 105 9.986 3.936 1.965 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.315 4.574 0.918 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.250 4.385 2.367 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.905 5.664 0.271 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.841 5.476 1.718 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.168 6.114 0.670 1.00 0.00 C ATOM 1652 OH TYR A 105 11.750 7.188 0.031 1.00 0.00 O ATOM 0 H TYR A 105 8.290 0.673 3.298 1.00 0.00 H new ATOM 0 HA TYR A 105 9.285 1.572 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.267 2.928 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.727 2.684 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.341 4.225 0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.768 3.891 3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.386 6.158 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.816 5.825 2.026 1.00 0.00 H new ATOM 0 HH TYR A 105 12.625 7.372 0.431 1.00 0.00 H new ATOM 1662 N ARG A 106 11.577 0.819 3.087 1.00 0.00 N ATOM 1663 CA ARG A 106 12.987 0.546 3.281 1.00 0.00 C ATOM 1664 C ARG A 106 13.452 -0.579 2.368 1.00 0.00 C ATOM 1665 O ARG A 106 14.533 -0.498 1.791 1.00 0.00 O ATOM 1666 CB ARG A 106 13.214 0.200 4.747 1.00 0.00 C ATOM 1667 CG ARG A 106 13.048 1.479 5.572 1.00 0.00 C ATOM 1668 CD ARG A 106 13.130 1.152 7.058 1.00 0.00 C ATOM 1669 NE ARG A 106 14.438 0.601 7.381 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.678 0.066 8.569 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.771 0.831 9.622 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.815 -1.226 8.686 1.00 0.00 N ATOM 0 H ARG A 106 11.002 0.689 3.920 1.00 0.00 H new ATOM 0 HA ARG A 106 13.574 1.427 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.502 -0.558 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.211 -0.217 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.823 2.197 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.089 1.946 5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.951 2.052 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.351 0.438 7.324 1.00 0.00 H new ATOM 0 HE ARG A 106 15.181 0.627 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.659 1.841 9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.956 0.419 10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.737 -1.824 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.000 -1.639 9.600 1.00 0.00 H new ATOM 1686 N SER A 107 12.633 -1.611 2.213 1.00 0.00 N ATOM 1687 CA SER A 107 12.997 -2.713 1.329 1.00 0.00 C ATOM 1688 C SER A 107 13.168 -2.193 -0.102 1.00 0.00 C ATOM 1689 O SER A 107 14.062 -2.622 -0.831 1.00 0.00 O ATOM 1690 CB SER A 107 11.929 -3.804 1.364 1.00 0.00 C ATOM 1691 OG SER A 107 12.335 -4.885 0.535 1.00 0.00 O ATOM 0 H SER A 107 11.730 -1.709 2.677 1.00 0.00 H new ATOM 0 HA SER A 107 13.939 -3.141 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.780 -4.151 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.974 -3.406 1.020 1.00 0.00 H new ATOM 0 HG SER A 107 12.108 -5.734 0.969 1.00 0.00 H new ATOM 1697 N LEU A 108 12.295 -1.270 -0.503 1.00 0.00 N ATOM 1698 CA LEU A 108 12.355 -0.690 -1.841 1.00 0.00 C ATOM 1699 C LEU A 108 13.611 0.160 -2.008 1.00 0.00 C ATOM 1700 O LEU A 108 14.201 0.211 -3.087 1.00 0.00 O ATOM 1701 CB LEU A 108 11.144 0.209 -2.096 1.00 0.00 C ATOM 1702 CG LEU A 108 9.838 -0.591 -2.016 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.654 0.376 -2.114 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.760 -1.607 -3.165 1.00 0.00 C ATOM 0 H LEU A 108 11.539 -0.909 0.080 1.00 0.00 H new ATOM 0 HA LEU A 108 12.366 -1.518 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.125 1.016 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.231 0.672 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 108 9.807 -1.129 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.721 -0.185 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.698 1.090 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.699 0.912 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.827 -2.166 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.795 -1.081 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.602 -2.296 -3.099 1.00 0.00 H new ATOM 1716 N VAL A 109 13.986 0.871 -0.947 1.00 0.00 N ATOM 1717 CA VAL A 109 15.142 1.750 -1.008 1.00 0.00 C ATOM 1718 C VAL A 109 16.413 0.956 -1.260 1.00 0.00 C ATOM 1719 O VAL A 109 17.192 1.288 -2.155 1.00 0.00 O ATOM 1720 CB VAL A 109 15.251 2.537 0.302 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.588 3.279 0.354 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.107 3.552 0.378 1.00 0.00 C ATOM 0 H VAL A 109 13.509 0.854 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 109 15.015 2.446 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 109 15.190 1.846 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.659 3.836 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.405 2.560 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.654 3.970 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.181 4.114 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.173 4.238 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.152 3.027 0.346 1.00 0.00 H new ATOM 1732 N GLN A 110 16.613 -0.103 -0.486 1.00 0.00 N ATOM 1733 CA GLN A 110 17.791 -0.935 -0.663 1.00 0.00 C ATOM 1734 C GLN A 110 17.727 -1.611 -2.022 1.00 0.00 C ATOM 1735 O GLN A 110 18.688 -1.578 -2.792 1.00 0.00 O ATOM 1736 CB GLN A 110 17.880 -1.995 0.442 1.00 0.00 C ATOM 1737 CG GLN A 110 16.547 -2.746 0.581 1.00 0.00 C ATOM 1738 CD GLN A 110 16.513 -3.561 1.871 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.587 -4.790 1.831 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.386 -2.950 3.017 1.00 0.00 N ATOM 0 H GLN A 110 15.984 -0.401 0.259 1.00 0.00 H new ATOM 0 HA GLN A 110 18.679 -0.306 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.679 -2.701 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.136 -1.520 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.722 -2.034 0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.406 -3.406 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.325 -1.932 3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.348 -3.490 3.881 1.00 0.00 H new ATOM 1749 N LYS A 111 16.581 -2.214 -2.311 1.00 0.00 N ATOM 1750 CA LYS A 111 16.383 -2.892 -3.580 1.00 0.00 C ATOM 1751 C LYS A 111 16.739 -1.963 -4.737 1.00 0.00 C ATOM 1752 O LYS A 111 17.166 -2.417 -5.797 1.00 0.00 O ATOM 1753 CB LYS A 111 14.921 -3.356 -3.713 1.00 0.00 C ATOM 1754 CG LYS A 111 14.651 -4.578 -2.809 1.00 0.00 C ATOM 1755 CD LYS A 111 15.063 -5.871 -3.530 1.00 0.00 C ATOM 1756 CE LYS A 111 14.694 -7.085 -2.674 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.562 -7.129 -1.463 1.00 0.00 N ATOM 0 H LYS A 111 15.778 -2.246 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 111 17.036 -3.764 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.250 -2.541 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.709 -3.612 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.207 -4.480 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.594 -4.620 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.565 -5.933 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.136 -5.864 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.646 -7.030 -2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.815 -8.001 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.442 -8.044 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.557 -7.014 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.294 -6.360 -0.816 1.00 0.00 H new ATOM 1771 N GLY A 112 16.542 -0.661 -4.534 1.00 0.00 N ATOM 1772 CA GLY A 112 16.827 0.325 -5.577 1.00 0.00 C ATOM 1773 C GLY A 112 15.600 0.502 -6.456 1.00 0.00 C ATOM 1774 O GLY A 112 15.671 1.037 -7.564 1.00 0.00 O ATOM 0 H GLY A 112 16.188 -0.266 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.105 1.278 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.675 -0.002 -6.179 1.00 0.00 H new ATOM 1778 N LEU A 113 14.473 0.049 -5.925 1.00 0.00 N ATOM 1779 CA LEU A 113 13.191 0.144 -6.610 1.00 0.00 C ATOM 1780 C LEU A 113 12.660 1.578 -6.586 1.00 0.00 C ATOM 1781 O LEU A 113 12.221 2.107 -7.605 1.00 0.00 O ATOM 1782 CB LEU A 113 12.199 -0.791 -5.906 1.00 0.00 C ATOM 1783 CG LEU A 113 12.425 -2.249 -6.349 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.747 -3.190 -5.345 1.00 0.00 C ATOM 1785 CD2 LEU A 113 11.829 -2.483 -7.753 1.00 0.00 C ATOM 0 H LEU A 113 14.421 -0.394 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 113 13.316 -0.146 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.318 -0.710 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.178 -0.488 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 113 13.496 -2.448 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.903 -4.224 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.177 -3.037 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.678 -2.979 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.997 -3.518 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.758 -2.281 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.310 -1.816 -8.468 1.00 0.00 H new ATOM 1797 N VAL A 114 12.702 2.197 -5.410 1.00 0.00 N ATOM 1798 CA VAL A 114 12.220 3.568 -5.253 1.00 0.00 C ATOM 1799 C VAL A 114 13.129 4.568 -5.974 1.00 0.00 C ATOM 1800 O VAL A 114 12.649 5.521 -6.589 1.00 0.00 O ATOM 1801 CB VAL A 114 12.070 3.900 -3.744 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.277 5.401 -3.484 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.658 3.498 -3.259 1.00 0.00 C ATOM 0 H VAL A 114 13.063 1.775 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 114 11.239 3.653 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 114 12.830 3.340 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.166 5.604 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.277 5.692 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.535 5.973 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.557 3.733 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.908 4.049 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.513 2.428 -3.409 1.00 0.00 H new ATOM 1813 N LYS A 115 14.430 4.346 -5.891 1.00 0.00 N ATOM 1814 CA LYS A 115 15.398 5.239 -6.535 1.00 0.00 C ATOM 1815 C LYS A 115 15.586 4.841 -7.997 1.00 0.00 C ATOM 1816 O LYS A 115 16.635 4.320 -8.379 1.00 0.00 O ATOM 1817 CB LYS A 115 16.744 5.173 -5.799 1.00 0.00 C ATOM 1818 CG LYS A 115 17.657 6.308 -6.285 1.00 0.00 C ATOM 1819 CD LYS A 115 18.972 6.298 -5.487 1.00 0.00 C ATOM 1820 CE LYS A 115 19.900 7.417 -5.983 1.00 0.00 C ATOM 1821 NZ LYS A 115 19.482 8.718 -5.389 1.00 0.00 N ATOM 0 H LYS A 115 14.846 3.562 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 115 15.018 6.260 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.586 5.256 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.220 4.209 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.865 6.189 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.155 7.268 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.763 6.432 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.465 5.332 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.931 7.196 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.866 7.475 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.113 9.473 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.504 8.931 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.537 8.660 -4.352 1.00 0.00 H new ATOM 1835 N THR A 116 14.555 5.084 -8.810 1.00 0.00 N ATOM 1836 CA THR A 116 14.601 4.739 -10.238 1.00 0.00 C ATOM 1837 C THR A 116 14.538 5.989 -11.106 1.00 0.00 C ATOM 1838 O THR A 116 14.572 5.904 -12.332 1.00 0.00 O ATOM 1839 CB THR A 116 13.429 3.820 -10.588 1.00 0.00 C ATOM 1840 OG1 THR A 116 13.405 3.614 -11.993 1.00 0.00 O ATOM 1841 CG2 THR A 116 12.112 4.460 -10.143 1.00 0.00 C ATOM 0 H THR A 116 13.681 5.516 -8.509 1.00 0.00 H new ATOM 0 HA THR A 116 15.544 4.228 -10.432 1.00 0.00 H new ATOM 0 HB THR A 116 13.551 2.866 -10.075 1.00 0.00 H new ATOM 0 HG1 THR A 116 14.026 4.237 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.283 3.799 -10.396 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.132 4.621 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.982 5.416 -10.651 1.00 0.00 H new ATOM 1849 N LYS A 117 14.452 7.147 -10.462 1.00 0.00 N ATOM 1850 CA LYS A 117 14.390 8.420 -11.183 1.00 0.00 C ATOM 1851 C LYS A 117 15.197 9.497 -10.468 1.00 0.00 C ATOM 1852 O LYS A 117 15.256 9.529 -9.238 1.00 0.00 O ATOM 1853 CB LYS A 117 12.933 8.865 -11.300 1.00 0.00 C ATOM 1854 CG LYS A 117 12.349 9.093 -9.904 1.00 0.00 C ATOM 1855 CD LYS A 117 10.868 9.453 -10.026 1.00 0.00 C ATOM 1856 CE LYS A 117 10.279 9.667 -8.630 1.00 0.00 C ATOM 1857 NZ LYS A 117 8.841 10.036 -8.749 1.00 0.00 N ATOM 0 H LYS A 117 14.423 7.235 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 117 14.818 8.276 -12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 117 12.869 9.782 -11.886 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.353 8.108 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.468 8.195 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.889 9.894 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.750 10.356 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.330 8.657 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.385 8.759 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.825 10.454 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.440 10.182 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.752 10.913 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.325 9.271 -9.229 1.00 0.00 H new ATOM 1871 N LYS A 118 15.805 10.390 -11.243 1.00 0.00 N ATOM 1872 CA LYS A 118 16.595 11.479 -10.672 1.00 0.00 C ATOM 1873 C LYS A 118 16.557 12.700 -11.589 1.00 0.00 C ATOM 1874 O LYS A 118 16.415 12.569 -12.804 1.00 0.00 O ATOM 1875 CB LYS A 118 18.037 11.012 -10.451 1.00 0.00 C ATOM 1876 CG LYS A 118 18.691 10.640 -11.790 1.00 0.00 C ATOM 1877 CD LYS A 118 20.152 10.227 -11.554 1.00 0.00 C ATOM 1878 CE LYS A 118 20.218 8.803 -10.984 1.00 0.00 C ATOM 1879 NZ LYS A 118 21.617 8.301 -11.068 1.00 0.00 N ATOM 0 H LYS A 118 15.767 10.383 -12.262 1.00 0.00 H new ATOM 0 HA LYS A 118 16.168 11.764 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 118 18.611 11.801 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 118 18.049 10.152 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.143 9.823 -12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.648 11.487 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.707 10.277 -12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.627 10.924 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 118 19.880 8.798 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 118 19.550 8.145 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 21.663 7.336 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 21.923 8.292 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.243 8.924 -10.519 1.00 0.00 H new ATOM 1893 N LYS A 119 16.684 13.887 -11.002 1.00 0.00 N ATOM 1894 CA LYS A 119 16.662 15.121 -11.785 1.00 0.00 C ATOM 1895 C LYS A 119 17.068 16.309 -10.920 1.00 0.00 C ATOM 1896 O LYS A 119 16.625 16.366 -9.784 1.00 0.00 O ATOM 1897 CB LYS A 119 15.259 15.356 -12.351 1.00 0.00 C ATOM 1898 CG LYS A 119 15.267 16.573 -13.281 1.00 0.00 C ATOM 1899 CD LYS A 119 13.862 16.784 -13.851 1.00 0.00 C ATOM 1900 CE LYS A 119 13.859 17.988 -14.795 1.00 0.00 C ATOM 1901 NZ LYS A 119 12.487 18.184 -15.343 1.00 0.00 N ATOM 1902 OXT LYS A 119 17.814 17.143 -11.404 1.00 0.00 O ATOM 0 H LYS A 119 16.802 14.021 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 119 17.373 15.022 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.925 14.473 -12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.551 15.514 -11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 119 15.587 17.460 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 119 15.981 16.422 -14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.539 15.891 -14.386 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.151 16.945 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.181 18.883 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.568 17.829 -15.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.483 19.002 -15.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.197 17.333 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.822 18.354 -14.562 1.00 0.00 H new TER 1916 LYS A 119