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 -149:sc= -9.8! USER MOD Set 1.2: A 63 ASN : amide:sc= -9.83! C(o=-20!,f=-19!) USER MOD Set 2.1: A 20 TYR OH : rot -154:sc= 0.0357! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.513 K(o=-0.48,f=-14!) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 94 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 HIS : no HE2:sc= -1.1! C(o=-3.4!,f=-12!) USER MOD Set 4.2: A 36 MET CE :methyl 150:sc= 0 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot 15:sc= -2.29 USER MOD Set 5.1: A 19 ASN : amide:sc= -0.81 K(o=-0.97,f=-6.5!) USER MOD Set 5.2: A 44 LYS NZ :NH3+ -134:sc= -0.164 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.131 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.37!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.75 USER MOD Single : A 16 MET CE :methyl 164:sc= 0 (180deg=-0.447) USER MOD Single : A 17 THR OG1 : rot -75:sc= -0.911 USER MOD Single : A 26 GLN : amide:sc=-0.00666 K(o=-0.0067,f=-1.6!) USER MOD Single : A 27 ASN : amide:sc= -1.92! C(o=-1.9!,f=-7.2!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 31 SER OG : rot 114:sc= -1.11! USER MOD Single : A 33 SER OG : rot -96:sc= 1.21 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -108:sc= 0.308 (180deg=-0.0687) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.591 USER MOD Single : A 69 SER OG : rot 180:sc= -0.667 USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.916 USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= -0.1 (180deg=-0.728) USER MOD Single : A 77 CYS SG : rot -170:sc= 0.561 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 MET CE :methyl -165:sc= -0.584 (180deg=-0.758) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.531 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 99:sc= 0.766 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.47! K(o=-1.5!,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.28 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 111 LYS NZ :NH3+ -160:sc= -0.0571 (180deg=-0.594) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 10:sc= 0.767! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -176:sc= -1.98 (180deg=-2.16) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.836 23.502 10.588 1.00 0.00 N ATOM 2 CA GLY A 1 10.519 23.043 9.207 1.00 0.00 C ATOM 3 C GLY A 1 9.167 22.340 9.202 1.00 0.00 C ATOM 4 O GLY A 1 8.423 22.399 10.181 1.00 0.00 O ATOM 0 H1 GLY A 1 11.066 24.516 10.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.013 23.343 11.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.650 22.968 10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.501 23.893 8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.295 22.365 8.851 1.00 0.00 H new ATOM 10 N PRO A 2 8.844 21.669 8.126 1.00 0.00 N ATOM 11 CA PRO A 2 7.560 20.937 8.005 1.00 0.00 C ATOM 12 C PRO A 2 7.566 19.706 8.901 1.00 0.00 C ATOM 13 O PRO A 2 8.593 19.034 9.048 1.00 0.00 O ATOM 14 CB PRO A 2 7.448 20.550 6.511 1.00 0.00 C ATOM 15 CG PRO A 2 8.671 21.117 5.827 1.00 0.00 C ATOM 16 CD PRO A 2 9.662 21.544 6.923 1.00 0.00 C ATOM 0 HA PRO A 2 6.709 21.540 8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.405 19.467 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.536 20.955 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.123 20.372 5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.400 21.969 5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.451 20.804 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.148 22.487 6.673 1.00 0.00 H new ATOM 24 N LEU A 3 6.421 19.421 9.493 1.00 0.00 N ATOM 25 CA LEU A 3 6.286 18.271 10.381 1.00 0.00 C ATOM 26 C LEU A 3 5.521 17.142 9.685 1.00 0.00 C ATOM 27 O LEU A 3 5.511 16.008 10.161 1.00 0.00 O ATOM 28 CB LEU A 3 5.547 18.701 11.656 1.00 0.00 C ATOM 29 CG LEU A 3 6.253 19.925 12.268 1.00 0.00 C ATOM 30 CD1 LEU A 3 5.522 20.381 13.547 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.712 19.565 12.601 1.00 0.00 C ATOM 0 H LEU A 3 5.568 19.968 9.378 1.00 0.00 H new ATOM 0 HA LEU A 3 7.278 17.902 10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.510 18.944 11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.530 17.881 12.374 1.00 0.00 H new ATOM 0 HG LEU A 3 6.236 20.741 11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.032 21.247 13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.494 20.649 13.303 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.522 19.570 14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.211 20.432 13.034 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.730 18.742 13.315 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.230 19.266 11.690 1.00 0.00 H new ATOM 43 N GLY A 4 4.890 17.467 8.557 1.00 0.00 N ATOM 44 CA GLY A 4 4.127 16.478 7.795 1.00 0.00 C ATOM 45 C GLY A 4 5.028 15.340 7.331 1.00 0.00 C ATOM 46 O GLY A 4 5.304 15.198 6.144 1.00 0.00 O ATOM 0 H GLY A 4 4.892 18.403 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.320 16.081 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.663 16.956 6.932 1.00 0.00 H new ATOM 50 N SER A 5 5.493 14.543 8.286 1.00 0.00 N ATOM 51 CA SER A 5 6.375 13.425 7.975 1.00 0.00 C ATOM 52 C SER A 5 5.664 12.422 7.074 1.00 0.00 C ATOM 53 O SER A 5 6.156 12.080 5.999 1.00 0.00 O ATOM 54 CB SER A 5 6.800 12.728 9.267 1.00 0.00 C ATOM 55 OG SER A 5 7.324 11.445 8.958 1.00 0.00 O ATOM 0 H SER A 5 5.275 14.649 9.277 1.00 0.00 H new ATOM 0 HA SER A 5 7.254 13.809 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.550 13.325 9.786 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.948 12.633 9.940 1.00 0.00 H new ATOM 0 HG SER A 5 7.599 10.996 9.785 1.00 0.00 H new ATOM 61 N LYS A 6 4.500 11.965 7.518 1.00 0.00 N ATOM 62 CA LYS A 6 3.719 11.004 6.747 1.00 0.00 C ATOM 63 C LYS A 6 3.241 11.625 5.442 1.00 0.00 C ATOM 64 O LYS A 6 2.689 10.940 4.582 1.00 0.00 O ATOM 65 CB LYS A 6 2.517 10.539 7.568 1.00 0.00 C ATOM 66 CG LYS A 6 1.671 11.755 7.961 1.00 0.00 C ATOM 67 CD LYS A 6 0.528 11.320 8.887 1.00 0.00 C ATOM 68 CE LYS A 6 -0.568 10.614 8.081 1.00 0.00 C ATOM 69 NZ LYS A 6 -1.785 10.465 8.927 1.00 0.00 N ATOM 0 H LYS A 6 4.077 12.242 8.404 1.00 0.00 H new ATOM 0 HA LYS A 6 4.353 10.149 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.917 9.836 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.854 10.012 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.294 12.496 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.266 12.231 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.910 10.651 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.112 12.189 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.803 11.188 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.219 9.636 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.530 9.986 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.555 9.900 9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.121 11.404 9.221 1.00 0.00 H new ATOM 83 N ASN A 7 3.466 12.924 5.297 1.00 0.00 N ATOM 84 CA ASN A 7 3.066 13.625 4.088 1.00 0.00 C ATOM 85 C ASN A 7 3.823 13.068 2.889 1.00 0.00 C ATOM 86 O ASN A 7 3.279 12.951 1.792 1.00 0.00 O ATOM 87 CB ASN A 7 3.352 15.123 4.233 1.00 0.00 C ATOM 88 CG ASN A 7 2.482 15.919 3.266 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.349 15.546 2.101 1.00 0.00 O ATOM 90 ND2 ASN A 7 1.872 16.994 3.685 1.00 0.00 N ATOM 0 H ASN A 7 3.921 13.509 5.998 1.00 0.00 H new ATOM 0 HA ASN A 7 1.997 13.480 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.156 15.441 5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.405 15.321 4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.283 17.528 3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.984 17.300 4.651 1.00 0.00 H new ATOM 97 N MET A 8 5.085 12.722 3.116 1.00 0.00 N ATOM 98 CA MET A 8 5.923 12.172 2.061 1.00 0.00 C ATOM 99 C MET A 8 5.323 10.874 1.532 1.00 0.00 C ATOM 100 O MET A 8 5.229 10.668 0.323 1.00 0.00 O ATOM 101 CB MET A 8 7.326 11.906 2.622 1.00 0.00 C ATOM 102 CG MET A 8 8.226 11.275 1.552 1.00 0.00 C ATOM 103 SD MET A 8 8.378 12.397 0.140 1.00 0.00 S ATOM 104 CE MET A 8 9.285 11.266 -0.942 1.00 0.00 C ATOM 0 H MET A 8 5.548 12.813 4.020 1.00 0.00 H new ATOM 0 HA MET A 8 5.984 12.886 1.240 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.767 12.840 2.971 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.259 11.243 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.211 11.065 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.808 10.322 1.228 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.491 11.759 -1.892 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.225 10.984 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.686 10.373 -1.119 1.00 0.00 H new ATOM 114 N LEU A 9 4.919 10.006 2.452 1.00 0.00 N ATOM 115 CA LEU A 9 4.331 8.729 2.092 1.00 0.00 C ATOM 116 C LEU A 9 3.045 8.940 1.321 1.00 0.00 C ATOM 117 O LEU A 9 2.788 8.272 0.319 1.00 0.00 O ATOM 118 CB LEU A 9 4.027 7.947 3.362 1.00 0.00 C ATOM 119 CG LEU A 9 5.323 7.500 4.026 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.002 6.906 5.399 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.046 6.447 3.157 1.00 0.00 C ATOM 0 H LEU A 9 4.990 10.168 3.457 1.00 0.00 H new ATOM 0 HA LEU A 9 5.033 8.178 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.452 8.566 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.413 7.078 3.125 1.00 0.00 H new ATOM 0 HG LEU A 9 5.981 8.362 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.925 6.584 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.515 7.660 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.337 6.050 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.969 6.141 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.400 5.579 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.279 6.877 2.183 1.00 0.00 H new ATOM 133 N LEU A 10 2.236 9.873 1.801 1.00 0.00 N ATOM 134 CA LEU A 10 0.964 10.161 1.154 1.00 0.00 C ATOM 135 C LEU A 10 1.207 10.649 -0.268 1.00 0.00 C ATOM 136 O LEU A 10 0.594 10.166 -1.221 1.00 0.00 O ATOM 137 CB LEU A 10 0.185 11.223 1.968 1.00 0.00 C ATOM 138 CG LEU A 10 -1.133 11.597 1.266 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.982 10.337 1.046 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.914 12.607 2.137 1.00 0.00 C ATOM 0 H LEU A 10 2.434 10.438 2.627 1.00 0.00 H new ATOM 0 HA LEU A 10 0.367 9.250 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.026 10.839 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.800 12.114 2.093 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.910 12.049 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.913 10.608 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.431 9.631 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.205 9.876 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.847 12.871 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.134 12.158 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.313 13.505 2.281 1.00 0.00 H new ATOM 152 N GLU A 11 2.122 11.589 -0.396 1.00 0.00 N ATOM 153 CA GLU A 11 2.474 12.149 -1.697 1.00 0.00 C ATOM 154 C GLU A 11 2.964 11.055 -2.623 1.00 0.00 C ATOM 155 O GLU A 11 2.504 10.885 -3.753 1.00 0.00 O ATOM 156 CB GLU A 11 3.603 13.151 -1.484 1.00 0.00 C ATOM 157 CG GLU A 11 3.701 14.087 -2.684 1.00 0.00 C ATOM 158 CD GLU A 11 4.286 13.345 -3.877 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.096 12.460 -3.664 1.00 0.00 O ATOM 160 OE2 GLU A 11 3.907 13.670 -4.992 1.00 0.00 O ATOM 0 H GLU A 11 2.641 11.987 0.387 1.00 0.00 H new ATOM 0 HA GLU A 11 1.601 12.625 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.423 13.727 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.547 12.624 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.714 14.474 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.326 14.945 -2.436 1.00 0.00 H new ATOM 167 N TRP A 12 3.921 10.342 -2.084 1.00 0.00 N ATOM 168 CA TRP A 12 4.586 9.238 -2.737 1.00 0.00 C ATOM 169 C TRP A 12 3.593 8.151 -3.146 1.00 0.00 C ATOM 170 O TRP A 12 3.407 7.891 -4.331 1.00 0.00 O ATOM 171 CB TRP A 12 5.572 8.746 -1.688 1.00 0.00 C ATOM 172 CG TRP A 12 6.352 7.556 -2.103 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.472 7.563 -2.857 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.125 6.188 -1.707 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.942 6.265 -2.957 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.138 5.379 -2.264 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.133 5.581 -0.929 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.169 4.002 -2.047 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.156 4.197 -0.706 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.174 3.408 -1.263 1.00 0.00 C ATOM 0 H TRP A 12 4.273 10.520 -1.143 1.00 0.00 H new ATOM 0 HA TRP A 12 5.077 9.526 -3.666 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.263 9.554 -1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.026 8.509 -0.775 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.925 8.434 -3.306 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.777 5.996 -3.477 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.346 6.182 -0.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.954 3.400 -2.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.387 3.736 -0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.189 2.343 -1.087 1.00 0.00 H new ATOM 191 N CYS A 13 2.948 7.537 -2.161 1.00 0.00 N ATOM 192 CA CYS A 13 1.968 6.482 -2.425 1.00 0.00 C ATOM 193 C CYS A 13 0.923 6.944 -3.445 1.00 0.00 C ATOM 194 O CYS A 13 0.644 6.256 -4.425 1.00 0.00 O ATOM 195 CB CYS A 13 1.282 6.112 -1.107 1.00 0.00 C ATOM 196 SG CYS A 13 0.591 4.445 -1.225 1.00 0.00 S ATOM 0 H CYS A 13 3.083 7.749 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 13 2.480 5.615 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.998 6.162 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.492 6.829 -0.884 1.00 0.00 H new ATOM 0 HG CYS A 13 0.012 4.135 -0.103 1.00 0.00 H new ATOM 202 N ARG A 14 0.358 8.115 -3.191 1.00 0.00 N ATOM 203 CA ARG A 14 -0.659 8.689 -4.074 1.00 0.00 C ATOM 204 C ARG A 14 -0.140 8.781 -5.495 1.00 0.00 C ATOM 205 O ARG A 14 -0.837 8.456 -6.459 1.00 0.00 O ATOM 206 CB ARG A 14 -1.016 10.096 -3.601 1.00 0.00 C ATOM 207 CG ARG A 14 -2.153 10.661 -4.461 1.00 0.00 C ATOM 208 CD ARG A 14 -2.563 12.042 -3.943 1.00 0.00 C ATOM 209 NE ARG A 14 -3.266 11.920 -2.670 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.797 12.982 -2.070 1.00 0.00 C ATOM 211 NH1 ARG A 14 -3.036 13.810 -1.410 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.084 13.197 -2.143 1.00 0.00 N ATOM 0 H ARG A 14 0.584 8.691 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.537 8.044 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.317 10.072 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.142 10.744 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.833 10.733 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.008 9.986 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.679 12.668 -3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.204 12.536 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.352 11.003 -2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.031 13.644 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.446 14.624 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.681 12.551 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.492 14.011 -1.683 1.00 0.00 H new ATOM 226 N ALA A 15 1.082 9.244 -5.610 1.00 0.00 N ATOM 227 CA ALA A 15 1.713 9.413 -6.914 1.00 0.00 C ATOM 228 C ALA A 15 1.709 8.116 -7.717 1.00 0.00 C ATOM 229 O ALA A 15 1.673 8.138 -8.946 1.00 0.00 O ATOM 230 CB ALA A 15 3.152 9.897 -6.732 1.00 0.00 C ATOM 0 H ALA A 15 1.667 9.513 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 15 1.137 10.153 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.620 10.022 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.151 10.851 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.712 9.163 -6.152 1.00 0.00 H new ATOM 236 N MET A 16 1.778 6.995 -7.020 1.00 0.00 N ATOM 237 CA MET A 16 1.817 5.686 -7.668 1.00 0.00 C ATOM 238 C MET A 16 0.423 5.076 -7.761 1.00 0.00 C ATOM 239 O MET A 16 0.140 4.307 -8.674 1.00 0.00 O ATOM 240 CB MET A 16 2.758 4.762 -6.861 1.00 0.00 C ATOM 241 CG MET A 16 3.798 5.615 -6.104 1.00 0.00 C ATOM 242 SD MET A 16 5.406 4.787 -6.088 1.00 0.00 S ATOM 243 CE MET A 16 6.434 6.282 -6.038 1.00 0.00 C ATOM 0 H MET A 16 1.808 6.960 -6.001 1.00 0.00 H new ATOM 0 HA MET A 16 2.191 5.801 -8.685 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.180 4.164 -6.156 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.262 4.065 -7.531 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.890 6.592 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.461 5.787 -5.082 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.448 6.016 -5.740 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.455 6.742 -7.026 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.017 6.987 -5.318 1.00 0.00 H new ATOM 253 N THR A 17 -0.432 5.434 -6.804 1.00 0.00 N ATOM 254 CA THR A 17 -1.804 4.922 -6.777 1.00 0.00 C ATOM 255 C THR A 17 -2.708 5.717 -7.719 1.00 0.00 C ATOM 256 O THR A 17 -3.834 5.303 -7.997 1.00 0.00 O ATOM 257 CB THR A 17 -2.362 4.983 -5.349 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.630 5.936 -4.613 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.236 3.616 -4.677 1.00 0.00 C ATOM 0 H THR A 17 -0.203 6.072 -6.042 1.00 0.00 H new ATOM 0 HA THR A 17 -1.783 3.886 -7.114 1.00 0.00 H new ATOM 0 HB THR A 17 -3.415 5.264 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.754 5.565 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.635 3.670 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.797 2.876 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.186 3.325 -4.638 1.00 0.00 H new ATOM 267 N ARG A 18 -2.218 6.851 -8.193 1.00 0.00 N ATOM 268 CA ARG A 18 -2.986 7.685 -9.106 1.00 0.00 C ATOM 269 C ARG A 18 -3.262 6.899 -10.388 1.00 0.00 C ATOM 270 O ARG A 18 -4.412 6.639 -10.755 1.00 0.00 O ATOM 271 CB ARG A 18 -2.167 8.927 -9.429 1.00 0.00 C ATOM 272 CG ARG A 18 -3.069 9.955 -10.096 1.00 0.00 C ATOM 273 CD ARG A 18 -2.276 11.220 -10.389 1.00 0.00 C ATOM 274 NE ARG A 18 -1.221 10.935 -11.351 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.469 10.920 -12.654 1.00 0.00 C ATOM 276 NH1 ARG A 18 -1.418 12.029 -13.336 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.767 9.798 -13.247 1.00 0.00 N ATOM 0 H ARG A 18 -1.294 7.215 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.934 7.975 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.734 9.340 -8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.337 8.670 -10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.478 9.548 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.914 10.186 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.938 11.992 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.844 11.610 -9.467 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.276 10.744 -11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.188 12.905 -12.868 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.608 12.021 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.809 8.932 -12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.958 9.786 -14.249 1.00 0.00 H new ATOM 291 N ASN A 19 -2.173 6.525 -11.057 1.00 0.00 N ATOM 292 CA ASN A 19 -2.246 5.752 -12.292 1.00 0.00 C ATOM 293 C ASN A 19 -3.204 4.583 -12.115 1.00 0.00 C ATOM 294 O ASN A 19 -3.751 4.054 -13.082 1.00 0.00 O ATOM 295 CB ASN A 19 -0.860 5.219 -12.657 1.00 0.00 C ATOM 296 CG ASN A 19 0.136 6.369 -12.759 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.188 6.340 -12.120 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.136 7.385 -13.533 1.00 0.00 N ATOM 0 H ASN A 19 -1.223 6.748 -10.760 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.607 6.400 -13.091 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.527 4.505 -11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.906 4.683 -13.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.524 8.159 -13.610 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.009 7.405 -14.061 1.00 0.00 H new ATOM 305 N TYR A 20 -3.390 4.189 -10.861 1.00 0.00 N ATOM 306 CA TYR A 20 -4.276 3.084 -10.524 1.00 0.00 C ATOM 307 C TYR A 20 -5.692 3.592 -10.250 1.00 0.00 C ATOM 308 O TYR A 20 -5.964 4.154 -9.198 1.00 0.00 O ATOM 309 CB TYR A 20 -3.729 2.379 -9.281 1.00 0.00 C ATOM 310 CG TYR A 20 -2.605 1.454 -9.680 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.373 1.983 -10.072 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.800 0.072 -9.657 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.331 1.128 -10.443 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.760 -0.786 -10.024 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.523 -0.261 -10.417 1.00 0.00 C ATOM 316 OH TYR A 20 0.507 -1.109 -10.772 1.00 0.00 O ATOM 0 H TYR A 20 -2.936 4.622 -10.057 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.320 2.389 -11.362 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.370 3.115 -8.561 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.522 1.814 -8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.225 3.053 -10.088 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.754 -0.334 -9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.621 1.537 -10.749 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.911 -1.855 -10.004 1.00 0.00 H new ATOM 0 HH TYR A 20 0.136 -1.952 -11.106 1.00 0.00 H new ATOM 326 N GLU A 21 -6.581 3.399 -11.214 1.00 0.00 N ATOM 327 CA GLU A 21 -7.967 3.843 -11.078 1.00 0.00 C ATOM 328 C GLU A 21 -8.688 3.030 -10.012 1.00 0.00 C ATOM 329 O GLU A 21 -8.136 2.071 -9.476 1.00 0.00 O ATOM 330 CB GLU A 21 -8.697 3.683 -12.408 1.00 0.00 C ATOM 331 CG GLU A 21 -8.567 2.233 -12.891 1.00 0.00 C ATOM 332 CD GLU A 21 -9.560 1.346 -12.151 1.00 0.00 C ATOM 333 OE1 GLU A 21 -10.739 1.435 -12.453 1.00 0.00 O ATOM 334 OE2 GLU A 21 -9.131 0.599 -11.288 1.00 0.00 O ATOM 0 H GLU A 21 -6.371 2.939 -12.099 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.963 4.892 -10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.748 3.946 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.278 4.364 -13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.750 2.181 -13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.551 1.875 -12.723 1.00 0.00 H new ATOM 341 N HIS A 22 -9.927 3.423 -9.718 1.00 0.00 N ATOM 342 CA HIS A 22 -10.722 2.730 -8.709 1.00 0.00 C ATOM 343 C HIS A 22 -10.033 2.880 -7.354 1.00 0.00 C ATOM 344 O HIS A 22 -10.520 2.423 -6.324 1.00 0.00 O ATOM 345 CB HIS A 22 -10.872 1.241 -9.102 1.00 0.00 C ATOM 346 CG HIS A 22 -11.896 0.554 -8.237 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.833 0.578 -6.860 1.00 0.00 N ATOM 348 CD2 HIS A 22 -12.995 -0.214 -8.545 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.859 -0.150 -6.387 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.601 -0.659 -7.374 1.00 0.00 N ATOM 0 H HIS A 22 -10.398 4.212 -10.161 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.720 3.162 -8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.166 1.166 -10.149 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.911 0.737 -9.004 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.132 1.062 -6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.336 -0.438 -9.545 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.059 -0.305 -5.337 1.00 0.00 H new ATOM 358 N VAL A 23 -8.882 3.552 -7.373 1.00 0.00 N ATOM 359 CA VAL A 23 -8.095 3.790 -6.169 1.00 0.00 C ATOM 360 C VAL A 23 -7.755 5.274 -6.046 1.00 0.00 C ATOM 361 O VAL A 23 -7.255 5.884 -6.990 1.00 0.00 O ATOM 362 CB VAL A 23 -6.803 2.969 -6.262 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.935 3.190 -5.028 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.149 1.484 -6.386 1.00 0.00 C ATOM 0 H VAL A 23 -8.473 3.944 -8.221 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.668 3.492 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.246 3.293 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.023 2.599 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.677 4.246 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.484 2.884 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.231 0.901 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.717 1.168 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.746 1.323 -7.284 1.00 0.00 H new ATOM 374 N ASP A 24 -8.026 5.837 -4.876 1.00 0.00 N ATOM 375 CA ASP A 24 -7.740 7.252 -4.613 1.00 0.00 C ATOM 376 C ASP A 24 -7.491 7.454 -3.123 1.00 0.00 C ATOM 377 O ASP A 24 -8.398 7.310 -2.307 1.00 0.00 O ATOM 378 CB ASP A 24 -8.909 8.123 -5.068 1.00 0.00 C ATOM 379 CG ASP A 24 -8.560 9.595 -4.876 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.504 9.865 -4.326 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.349 10.427 -5.285 1.00 0.00 O ATOM 0 H ASP A 24 -8.444 5.340 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.851 7.544 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.135 7.927 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.804 7.874 -4.497 1.00 0.00 H new ATOM 386 N ILE A 25 -6.248 7.757 -2.771 1.00 0.00 N ATOM 387 CA ILE A 25 -5.883 7.927 -1.370 1.00 0.00 C ATOM 388 C ILE A 25 -6.402 9.239 -0.772 1.00 0.00 C ATOM 389 O ILE A 25 -5.870 10.320 -1.027 1.00 0.00 O ATOM 390 CB ILE A 25 -4.358 7.832 -1.235 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.910 6.508 -1.872 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.958 7.845 0.247 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.400 6.301 -1.690 1.00 0.00 C ATOM 0 H ILE A 25 -5.481 7.889 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.360 7.129 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.885 8.680 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.453 5.679 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.157 6.508 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.873 7.777 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.301 8.771 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.415 6.996 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.104 5.357 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.861 7.120 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.161 6.278 -0.627 1.00 0.00 H new ATOM 405 N GLN A 26 -7.448 9.101 0.052 1.00 0.00 N ATOM 406 CA GLN A 26 -8.066 10.238 0.745 1.00 0.00 C ATOM 407 C GLN A 26 -7.660 10.188 2.213 1.00 0.00 C ATOM 408 O GLN A 26 -7.862 11.136 2.975 1.00 0.00 O ATOM 409 CB GLN A 26 -9.591 10.175 0.626 1.00 0.00 C ATOM 410 CG GLN A 26 -10.202 11.446 1.222 1.00 0.00 C ATOM 411 CD GLN A 26 -11.691 11.495 0.905 1.00 0.00 C ATOM 412 OE1 GLN A 26 -12.220 10.586 0.265 1.00 0.00 O ATOM 413 NE2 GLN A 26 -12.405 12.509 1.313 1.00 0.00 N ATOM 0 H GLN A 26 -7.888 8.204 0.256 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.727 11.169 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.881 10.075 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.971 9.297 1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.049 11.464 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.704 12.326 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.966 13.262 1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.402 12.549 1.102 1.00 0.00 H new ATOM 422 N ASN A 27 -7.068 9.064 2.591 1.00 0.00 N ATOM 423 CA ASN A 27 -6.602 8.852 3.949 1.00 0.00 C ATOM 424 C ASN A 27 -5.823 7.552 3.988 1.00 0.00 C ATOM 425 O ASN A 27 -5.568 6.943 2.946 1.00 0.00 O ATOM 426 CB ASN A 27 -7.784 8.781 4.928 1.00 0.00 C ATOM 427 CG ASN A 27 -7.282 8.863 6.369 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.355 7.880 7.110 1.00 0.00 O ATOM 429 ND2 ASN A 27 -6.776 9.979 6.815 1.00 0.00 N ATOM 0 H ASN A 27 -6.899 8.277 1.965 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.967 9.686 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.479 9.597 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.334 7.852 4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.441 10.039 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.715 10.792 6.202 1.00 0.00 H new ATOM 436 N PHE A 28 -5.437 7.126 5.176 1.00 0.00 N ATOM 437 CA PHE A 28 -4.678 5.888 5.312 1.00 0.00 C ATOM 438 C PHE A 28 -5.574 4.771 5.825 1.00 0.00 C ATOM 439 O PHE A 28 -5.198 3.599 5.813 1.00 0.00 O ATOM 440 CB PHE A 28 -3.513 6.115 6.272 1.00 0.00 C ATOM 441 CG PHE A 28 -2.394 6.833 5.554 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.370 8.229 5.508 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.387 6.093 4.925 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.337 8.888 4.834 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.356 6.750 4.247 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.329 8.147 4.203 1.00 0.00 C ATOM 0 H PHE A 28 -5.631 7.609 6.053 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.291 5.594 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.844 6.702 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.156 5.160 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.149 8.799 5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.406 5.014 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.316 9.967 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.419 6.179 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.469 8.655 3.682 1.00 0.00 H new ATOM 456 N SER A 29 -6.747 5.156 6.304 1.00 0.00 N ATOM 457 CA SER A 29 -7.704 4.199 6.870 1.00 0.00 C ATOM 458 C SER A 29 -8.893 3.934 5.947 1.00 0.00 C ATOM 459 O SER A 29 -9.031 2.853 5.376 1.00 0.00 O ATOM 460 CB SER A 29 -8.230 4.759 8.189 1.00 0.00 C ATOM 461 OG SER A 29 -7.133 5.142 9.006 1.00 0.00 O ATOM 0 H SER A 29 -7.066 6.125 6.315 1.00 0.00 H new ATOM 0 HA SER A 29 -7.179 3.254 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.876 5.617 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.835 4.010 8.700 1.00 0.00 H new ATOM 0 HG SER A 29 -7.467 5.504 9.853 1.00 0.00 H new ATOM 467 N SER A 30 -9.756 4.925 5.823 1.00 0.00 N ATOM 468 CA SER A 30 -10.959 4.801 5.000 1.00 0.00 C ATOM 469 C SER A 30 -10.639 4.509 3.543 1.00 0.00 C ATOM 470 O SER A 30 -11.288 3.676 2.913 1.00 0.00 O ATOM 471 CB SER A 30 -11.773 6.090 5.078 1.00 0.00 C ATOM 472 OG SER A 30 -10.974 7.174 4.623 1.00 0.00 O ATOM 0 H SER A 30 -9.651 5.830 6.281 1.00 0.00 H new ATOM 0 HA SER A 30 -11.529 3.960 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.672 6.004 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.099 6.267 6.103 1.00 0.00 H new ATOM 0 HG SER A 30 -11.492 8.004 4.669 1.00 0.00 H new ATOM 478 N SER A 31 -9.660 5.207 3.003 1.00 0.00 N ATOM 479 CA SER A 31 -9.300 5.017 1.610 1.00 0.00 C ATOM 480 C SER A 31 -8.598 3.680 1.402 1.00 0.00 C ATOM 481 O SER A 31 -8.205 3.341 0.285 1.00 0.00 O ATOM 482 CB SER A 31 -8.398 6.155 1.151 1.00 0.00 C ATOM 483 OG SER A 31 -8.374 6.173 -0.267 1.00 0.00 O ATOM 0 H SER A 31 -9.104 5.903 3.500 1.00 0.00 H new ATOM 0 HA SER A 31 -10.214 5.016 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.766 7.107 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.390 6.021 1.544 1.00 0.00 H new ATOM 0 HG SER A 31 -8.804 6.992 -0.591 1.00 0.00 H new ATOM 489 N TRP A 32 -8.432 2.924 2.486 1.00 0.00 N ATOM 490 CA TRP A 32 -7.763 1.625 2.429 1.00 0.00 C ATOM 491 C TRP A 32 -8.731 0.475 2.705 1.00 0.00 C ATOM 492 O TRP A 32 -8.353 -0.692 2.604 1.00 0.00 O ATOM 493 CB TRP A 32 -6.659 1.622 3.475 1.00 0.00 C ATOM 494 CG TRP A 32 -5.551 2.497 3.022 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.642 3.833 2.876 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.199 2.127 2.659 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.424 4.310 2.436 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.498 3.294 2.294 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.521 0.901 2.612 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.165 3.247 1.898 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.178 0.850 2.209 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.502 2.021 1.856 1.00 0.00 C ATOM 0 H TRP A 32 -8.753 3.190 3.417 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.360 1.477 1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.047 1.973 4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.295 0.607 3.633 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.520 4.430 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.231 5.292 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.035 -0.008 2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.647 4.154 1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.664 -0.099 2.171 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.467 1.976 1.551 1.00 0.00 H new ATOM 513 N SER A 33 -9.964 0.801 3.073 1.00 0.00 N ATOM 514 CA SER A 33 -10.953 -0.223 3.376 1.00 0.00 C ATOM 515 C SER A 33 -11.271 -1.066 2.148 1.00 0.00 C ATOM 516 O SER A 33 -12.098 -1.975 2.212 1.00 0.00 O ATOM 517 CB SER A 33 -12.233 0.435 3.882 1.00 0.00 C ATOM 518 OG SER A 33 -11.980 1.063 5.130 1.00 0.00 O ATOM 0 H SER A 33 -10.300 1.759 3.168 1.00 0.00 H new ATOM 0 HA SER A 33 -10.539 -0.877 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.588 1.169 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.020 -0.311 3.991 1.00 0.00 H new ATOM 0 HG SER A 33 -12.240 0.461 5.858 1.00 0.00 H new ATOM 524 N SER A 34 -10.628 -0.762 1.019 1.00 0.00 N ATOM 525 CA SER A 34 -10.876 -1.509 -0.215 1.00 0.00 C ATOM 526 C SER A 34 -9.840 -2.610 -0.423 1.00 0.00 C ATOM 527 O SER A 34 -10.102 -3.590 -1.120 1.00 0.00 O ATOM 528 CB SER A 34 -10.824 -0.553 -1.407 1.00 0.00 C ATOM 529 OG SER A 34 -11.454 0.667 -1.056 1.00 0.00 O ATOM 0 H SER A 34 -9.940 -0.014 0.933 1.00 0.00 H new ATOM 0 HA SER A 34 -11.860 -1.971 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.789 -0.371 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.323 -0.999 -2.268 1.00 0.00 H new ATOM 0 HG SER A 34 -11.421 1.283 -1.817 1.00 0.00 H new ATOM 535 N GLY A 35 -8.654 -2.430 0.144 1.00 0.00 N ATOM 536 CA GLY A 35 -7.587 -3.409 -0.037 1.00 0.00 C ATOM 537 C GLY A 35 -6.947 -3.194 -1.397 1.00 0.00 C ATOM 538 O GLY A 35 -5.855 -3.684 -1.680 1.00 0.00 O ATOM 0 H GLY A 35 -8.407 -1.629 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.841 -3.304 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.987 -4.420 0.036 1.00 0.00 H new ATOM 542 N MET A 36 -7.649 -2.429 -2.221 1.00 0.00 N ATOM 543 CA MET A 36 -7.190 -2.102 -3.558 1.00 0.00 C ATOM 544 C MET A 36 -5.880 -1.323 -3.486 1.00 0.00 C ATOM 545 O MET A 36 -5.066 -1.376 -4.407 1.00 0.00 O ATOM 546 CB MET A 36 -8.256 -1.262 -4.267 1.00 0.00 C ATOM 547 CG MET A 36 -9.598 -2.009 -4.263 1.00 0.00 C ATOM 548 SD MET A 36 -9.546 -3.375 -5.448 1.00 0.00 S ATOM 549 CE MET A 36 -10.064 -2.431 -6.904 1.00 0.00 C ATOM 0 H MET A 36 -8.551 -2.019 -1.979 1.00 0.00 H new ATOM 0 HA MET A 36 -7.020 -3.023 -4.116 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.364 -0.299 -3.768 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.947 -1.057 -5.292 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.809 -2.391 -3.264 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.406 -1.324 -4.520 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.619 -2.868 -7.798 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.150 -2.459 -6.988 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.735 -1.397 -6.803 1.00 0.00 H new ATOM 559 N ALA A 37 -5.696 -0.583 -2.397 1.00 0.00 N ATOM 560 CA ALA A 37 -4.486 0.216 -2.230 1.00 0.00 C ATOM 561 C ALA A 37 -3.247 -0.664 -2.058 1.00 0.00 C ATOM 562 O ALA A 37 -2.236 -0.458 -2.733 1.00 0.00 O ATOM 563 CB ALA A 37 -4.638 1.146 -1.027 1.00 0.00 C ATOM 0 H ALA A 37 -6.360 -0.520 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.350 0.808 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.731 1.739 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.488 1.810 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.804 0.553 -0.127 1.00 0.00 H new ATOM 569 N PHE A 38 -3.309 -1.633 -1.142 1.00 0.00 N ATOM 570 CA PHE A 38 -2.161 -2.506 -0.898 1.00 0.00 C ATOM 571 C PHE A 38 -1.721 -3.218 -2.182 1.00 0.00 C ATOM 572 O PHE A 38 -0.534 -3.252 -2.500 1.00 0.00 O ATOM 573 CB PHE A 38 -2.506 -3.557 0.189 1.00 0.00 C ATOM 574 CG PHE A 38 -2.233 -2.996 1.568 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.915 -2.722 1.950 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.284 -2.755 2.462 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.645 -2.205 3.223 1.00 0.00 C ATOM 578 CE2 PHE A 38 -3.012 -2.239 3.737 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.694 -1.964 4.114 1.00 0.00 C ATOM 0 H PHE A 38 -4.127 -1.830 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.337 -1.882 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.554 -3.844 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.915 -4.459 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.104 -2.910 1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.302 -2.966 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.373 -1.993 3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.821 -2.054 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.486 -1.565 5.096 1.00 0.00 H new ATOM 589 N CYS A 39 -2.674 -3.778 -2.903 1.00 0.00 N ATOM 590 CA CYS A 39 -2.353 -4.486 -4.138 1.00 0.00 C ATOM 591 C CYS A 39 -1.849 -3.528 -5.215 1.00 0.00 C ATOM 592 O CYS A 39 -0.874 -3.815 -5.910 1.00 0.00 O ATOM 593 CB CYS A 39 -3.589 -5.219 -4.652 1.00 0.00 C ATOM 594 SG CYS A 39 -4.023 -6.547 -3.504 1.00 0.00 S ATOM 0 H CYS A 39 -3.665 -3.760 -2.663 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.561 -5.201 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.422 -4.523 -4.752 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.396 -5.629 -5.643 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.572 -7.526 -4.160 1.00 0.00 H new ATOM 600 N ALA A 40 -2.541 -2.406 -5.352 1.00 0.00 N ATOM 601 CA ALA A 40 -2.203 -1.405 -6.360 1.00 0.00 C ATOM 602 C ALA A 40 -0.794 -0.844 -6.186 1.00 0.00 C ATOM 603 O ALA A 40 -0.071 -0.650 -7.163 1.00 0.00 O ATOM 604 CB ALA A 40 -3.207 -0.256 -6.273 1.00 0.00 C ATOM 0 H ALA A 40 -3.346 -2.163 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.242 -1.895 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.963 0.497 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.212 -0.637 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.162 0.192 -5.280 1.00 0.00 H new ATOM 610 N LEU A 41 -0.419 -0.565 -4.947 1.00 0.00 N ATOM 611 CA LEU A 41 0.895 -0.003 -4.655 1.00 0.00 C ATOM 612 C LEU A 41 2.003 -0.994 -5.012 1.00 0.00 C ATOM 613 O LEU A 41 3.030 -0.621 -5.582 1.00 0.00 O ATOM 614 CB LEU A 41 0.946 0.366 -3.168 1.00 0.00 C ATOM 615 CG LEU A 41 2.278 1.034 -2.803 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.435 2.366 -3.560 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.290 1.299 -1.293 1.00 0.00 C ATOM 0 H LEU A 41 -1.005 -0.718 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 41 1.056 0.890 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.122 1.039 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.809 -0.531 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 41 3.103 0.379 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.385 2.828 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.414 2.179 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.617 3.035 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.231 1.774 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.460 1.956 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.188 0.355 -0.757 1.00 0.00 H new ATOM 629 N ILE A 42 1.786 -2.259 -4.679 1.00 0.00 N ATOM 630 CA ILE A 42 2.759 -3.316 -4.966 1.00 0.00 C ATOM 631 C ILE A 42 2.905 -3.554 -6.473 1.00 0.00 C ATOM 632 O ILE A 42 4.016 -3.710 -6.978 1.00 0.00 O ATOM 633 CB ILE A 42 2.299 -4.615 -4.264 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.640 -4.544 -2.763 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.965 -5.861 -4.879 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.167 -4.519 -2.522 1.00 0.00 C ATOM 0 H ILE A 42 0.942 -2.584 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 42 3.735 -3.008 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 42 1.221 -4.703 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.189 -3.651 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.205 -5.402 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.617 -6.754 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.703 -5.930 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.047 -5.782 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.366 -4.469 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.615 -5.424 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.599 -3.646 -3.012 1.00 0.00 H new ATOM 648 N HIS A 43 1.779 -3.605 -7.172 1.00 0.00 N ATOM 649 CA HIS A 43 1.782 -3.854 -8.614 1.00 0.00 C ATOM 650 C HIS A 43 2.621 -2.811 -9.355 1.00 0.00 C ATOM 651 O HIS A 43 2.953 -2.982 -10.528 1.00 0.00 O ATOM 652 CB HIS A 43 0.342 -3.817 -9.128 1.00 0.00 C ATOM 653 CG HIS A 43 0.300 -4.211 -10.579 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.074 -3.323 -11.575 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.567 -5.397 -11.217 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.025 -3.982 -12.747 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.362 -5.250 -12.586 1.00 0.00 N ATOM 0 H HIS A 43 0.851 -3.478 -6.768 1.00 0.00 H new ATOM 0 HA HIS A 43 2.224 -4.833 -8.798 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.279 -4.494 -8.541 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.071 -2.816 -9.003 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.888 -6.306 -10.730 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.269 -3.540 -13.702 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.482 -5.958 -13.310 1.00 0.00 H new ATOM 665 N LYS A 44 2.941 -1.730 -8.657 1.00 0.00 N ATOM 666 CA LYS A 44 3.728 -0.643 -9.242 1.00 0.00 C ATOM 667 C LYS A 44 5.175 -1.062 -9.472 1.00 0.00 C ATOM 668 O LYS A 44 5.794 -0.684 -10.470 1.00 0.00 O ATOM 669 CB LYS A 44 3.697 0.575 -8.308 1.00 0.00 C ATOM 670 CG LYS A 44 4.377 1.788 -8.967 1.00 0.00 C ATOM 671 CD LYS A 44 3.385 2.514 -9.882 1.00 0.00 C ATOM 672 CE LYS A 44 4.041 3.769 -10.450 1.00 0.00 C ATOM 673 NZ LYS A 44 3.081 4.459 -11.353 1.00 0.00 N ATOM 0 H LYS A 44 2.670 -1.579 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 44 3.287 -0.391 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.665 0.822 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.201 0.334 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.743 2.471 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.243 1.461 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.073 1.856 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.487 2.781 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.340 4.435 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.946 3.505 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.565 4.728 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.291 3.820 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.715 5.312 -10.884 1.00 0.00 H new ATOM 687 N PHE A 45 5.728 -1.806 -8.519 1.00 0.00 N ATOM 688 CA PHE A 45 7.127 -2.229 -8.594 1.00 0.00 C ATOM 689 C PHE A 45 7.255 -3.691 -9.022 1.00 0.00 C ATOM 690 O PHE A 45 8.351 -4.160 -9.326 1.00 0.00 O ATOM 691 CB PHE A 45 7.776 -2.041 -7.215 1.00 0.00 C ATOM 692 CG PHE A 45 7.129 -0.871 -6.492 1.00 0.00 C ATOM 693 CD1 PHE A 45 7.207 0.427 -7.022 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.452 -1.090 -5.285 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.608 1.497 -6.340 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.857 -0.024 -4.608 1.00 0.00 C ATOM 697 CZ PHE A 45 5.935 1.271 -5.133 1.00 0.00 C ATOM 0 H PHE A 45 5.233 -2.129 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 45 7.631 -1.619 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.665 -2.950 -6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.845 -1.863 -7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.727 0.601 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.390 -2.088 -4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.666 2.496 -6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.336 -0.199 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.476 2.096 -4.608 1.00 0.00 H new ATOM 707 N PHE A 46 6.141 -4.415 -9.013 1.00 0.00 N ATOM 708 CA PHE A 46 6.149 -5.833 -9.376 1.00 0.00 C ATOM 709 C PHE A 46 5.080 -6.144 -10.442 1.00 0.00 C ATOM 710 O PHE A 46 3.925 -6.379 -10.099 1.00 0.00 O ATOM 711 CB PHE A 46 5.879 -6.630 -8.106 1.00 0.00 C ATOM 712 CG PHE A 46 6.981 -6.339 -7.125 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.187 -7.036 -7.212 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.802 -5.365 -6.135 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.218 -6.764 -6.309 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.834 -5.094 -5.230 1.00 0.00 C ATOM 717 CZ PHE A 46 9.041 -5.794 -5.318 1.00 0.00 C ATOM 0 H PHE A 46 5.223 -4.048 -8.760 1.00 0.00 H new ATOM 0 HA PHE A 46 7.114 -6.102 -9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.912 -6.356 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.839 -7.696 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.323 -7.786 -7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.869 -4.824 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.151 -7.303 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.698 -4.345 -4.464 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.838 -5.585 -4.619 1.00 0.00 H new ATOM 727 N PRO A 47 5.422 -6.150 -11.726 1.00 0.00 N ATOM 728 CA PRO A 47 4.425 -6.432 -12.807 1.00 0.00 C ATOM 729 C PRO A 47 4.075 -7.921 -12.874 1.00 0.00 C ATOM 730 O PRO A 47 2.929 -8.291 -13.128 1.00 0.00 O ATOM 731 CB PRO A 47 5.116 -5.972 -14.115 1.00 0.00 C ATOM 732 CG PRO A 47 6.474 -5.446 -13.725 1.00 0.00 C ATOM 733 CD PRO A 47 6.756 -5.898 -12.291 1.00 0.00 C ATOM 0 HA PRO A 47 3.483 -5.912 -12.630 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.209 -6.801 -14.816 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.529 -5.199 -14.612 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.239 -5.825 -14.402 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.497 -4.358 -13.794 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.374 -6.796 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.289 -5.131 -11.729 1.00 0.00 H new ATOM 741 N GLU A 48 5.076 -8.759 -12.636 1.00 0.00 N ATOM 742 CA GLU A 48 4.873 -10.199 -12.663 1.00 0.00 C ATOM 743 C GLU A 48 3.942 -10.581 -11.519 1.00 0.00 C ATOM 744 O GLU A 48 3.411 -11.691 -11.463 1.00 0.00 O ATOM 745 CB GLU A 48 6.222 -10.922 -12.525 1.00 0.00 C ATOM 746 CG GLU A 48 6.026 -12.424 -12.747 1.00 0.00 C ATOM 747 CD GLU A 48 7.371 -13.145 -12.717 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.336 -12.542 -12.276 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.417 -14.291 -13.137 1.00 0.00 O ATOM 0 H GLU A 48 6.030 -8.467 -12.424 1.00 0.00 H new ATOM 0 HA GLU A 48 4.425 -10.496 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.933 -10.527 -13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.643 -10.742 -11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.371 -12.830 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.535 -12.596 -13.705 1.00 0.00 H new ATOM 756 N ALA A 49 3.771 -9.629 -10.607 1.00 0.00 N ATOM 757 CA ALA A 49 2.924 -9.815 -9.430 1.00 0.00 C ATOM 758 C ALA A 49 1.580 -10.410 -9.783 1.00 0.00 C ATOM 759 O ALA A 49 1.325 -11.594 -9.567 1.00 0.00 O ATOM 760 CB ALA A 49 2.684 -8.466 -8.758 1.00 0.00 C ATOM 0 H ALA A 49 4.212 -8.711 -10.661 1.00 0.00 H new ATOM 0 HA ALA A 49 3.444 -10.503 -8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.053 -8.604 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.638 -8.036 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.189 -7.793 -9.459 1.00 0.00 H new ATOM 766 N PHE A 50 0.731 -9.568 -10.339 1.00 0.00 N ATOM 767 CA PHE A 50 -0.596 -9.975 -10.744 1.00 0.00 C ATOM 768 C PHE A 50 -1.227 -8.883 -11.600 1.00 0.00 C ATOM 769 O PHE A 50 -0.790 -7.734 -11.580 1.00 0.00 O ATOM 770 CB PHE A 50 -1.470 -10.234 -9.512 1.00 0.00 C ATOM 771 CG PHE A 50 -1.249 -9.143 -8.485 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.834 -7.883 -8.660 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.460 -9.395 -7.352 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.631 -6.876 -7.705 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.258 -8.389 -6.399 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.843 -7.128 -6.576 1.00 0.00 C ATOM 0 H PHE A 50 0.942 -8.587 -10.521 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.522 -10.895 -11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.521 -10.266 -9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.228 -11.206 -9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.442 -7.686 -9.531 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.008 -10.366 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.083 -5.905 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.349 -8.585 -5.527 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.686 -6.351 -5.842 1.00 0.00 H new ATOM 786 N ASP A 51 -2.273 -9.248 -12.325 1.00 0.00 N ATOM 787 CA ASP A 51 -2.984 -8.286 -13.162 1.00 0.00 C ATOM 788 C ASP A 51 -4.005 -7.540 -12.309 1.00 0.00 C ATOM 789 O ASP A 51 -5.104 -8.035 -12.063 1.00 0.00 O ATOM 790 CB ASP A 51 -3.694 -9.009 -14.309 1.00 0.00 C ATOM 791 CG ASP A 51 -4.440 -8.006 -15.183 1.00 0.00 C ATOM 792 OD1 ASP A 51 -4.459 -6.840 -14.830 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.981 -8.422 -16.195 1.00 0.00 O ATOM 0 H ASP A 51 -2.649 -10.196 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.271 -7.578 -13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.967 -9.555 -14.910 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.393 -9.743 -13.908 1.00 0.00 H new ATOM 798 N TYR A 52 -3.627 -6.356 -11.843 1.00 0.00 N ATOM 799 CA TYR A 52 -4.505 -5.552 -10.996 1.00 0.00 C ATOM 800 C TYR A 52 -5.791 -5.211 -11.715 1.00 0.00 C ATOM 801 O TYR A 52 -6.801 -4.894 -11.087 1.00 0.00 O ATOM 802 CB TYR A 52 -3.801 -4.252 -10.613 1.00 0.00 C ATOM 803 CG TYR A 52 -4.726 -3.379 -9.792 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.661 -2.553 -10.430 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.656 -3.400 -8.394 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.523 -1.748 -9.671 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.518 -2.598 -7.636 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.450 -1.772 -8.274 1.00 0.00 C ATOM 809 OH TYR A 52 -7.298 -0.986 -7.527 1.00 0.00 O ATOM 0 H TYR A 52 -2.720 -5.930 -12.036 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.739 -6.135 -10.105 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.898 -4.473 -10.044 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.490 -3.720 -11.512 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.718 -2.536 -11.508 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.936 -4.036 -7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.242 -1.111 -10.164 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.463 -2.617 -6.558 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.030 -0.664 -8.094 1.00 0.00 H new ATOM 819 N ALA A 53 -5.752 -5.277 -13.031 1.00 0.00 N ATOM 820 CA ALA A 53 -6.925 -4.970 -13.833 1.00 0.00 C ATOM 821 C ALA A 53 -7.866 -6.164 -13.886 1.00 0.00 C ATOM 822 O ALA A 53 -9.032 -6.028 -14.262 1.00 0.00 O ATOM 823 CB ALA A 53 -6.491 -4.587 -15.246 1.00 0.00 C ATOM 0 H ALA A 53 -4.926 -5.539 -13.568 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.455 -4.135 -13.375 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.371 -4.357 -15.847 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.842 -3.712 -15.203 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.950 -5.418 -15.698 1.00 0.00 H new ATOM 829 N GLU A 54 -7.353 -7.340 -13.529 1.00 0.00 N ATOM 830 CA GLU A 54 -8.146 -8.560 -13.554 1.00 0.00 C ATOM 831 C GLU A 54 -8.831 -8.780 -12.216 1.00 0.00 C ATOM 832 O GLU A 54 -9.778 -9.555 -12.116 1.00 0.00 O ATOM 833 CB GLU A 54 -7.215 -9.738 -13.830 1.00 0.00 C ATOM 834 CG GLU A 54 -8.028 -10.995 -14.156 1.00 0.00 C ATOM 835 CD GLU A 54 -7.089 -12.139 -14.534 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.931 -11.864 -14.804 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.541 -13.272 -14.552 1.00 0.00 O ATOM 0 H GLU A 54 -6.390 -7.470 -13.219 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.907 -8.476 -14.330 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.553 -9.499 -14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.582 -9.921 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.634 -11.280 -13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.715 -10.791 -14.977 1.00 0.00 H new ATOM 844 N LEU A 55 -8.345 -8.097 -11.185 1.00 0.00 N ATOM 845 CA LEU A 55 -8.914 -8.234 -9.853 1.00 0.00 C ATOM 846 C LEU A 55 -10.181 -7.404 -9.706 1.00 0.00 C ATOM 847 O LEU A 55 -10.355 -6.391 -10.382 1.00 0.00 O ATOM 848 CB LEU A 55 -7.868 -7.791 -8.831 1.00 0.00 C ATOM 849 CG LEU A 55 -6.710 -8.810 -8.802 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.504 -8.225 -8.042 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.170 -10.121 -8.124 1.00 0.00 C ATOM 0 H LEU A 55 -7.562 -7.446 -11.247 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.186 -9.276 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.489 -6.802 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.321 -7.712 -7.843 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.412 -9.026 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.694 -8.954 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.166 -7.316 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.798 -7.990 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.344 -10.832 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.486 -9.911 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.005 -10.546 -8.682 1.00 0.00 H new ATOM 863 N ASP A 56 -11.068 -7.861 -8.821 1.00 0.00 N ATOM 864 CA ASP A 56 -12.340 -7.185 -8.577 1.00 0.00 C ATOM 865 C ASP A 56 -12.468 -6.808 -7.094 1.00 0.00 C ATOM 866 O ASP A 56 -11.753 -7.354 -6.251 1.00 0.00 O ATOM 867 CB ASP A 56 -13.485 -8.126 -8.988 1.00 0.00 C ATOM 868 CG ASP A 56 -13.152 -9.567 -8.618 1.00 0.00 C ATOM 869 OD1 ASP A 56 -12.226 -9.765 -7.855 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.839 -10.454 -9.104 1.00 0.00 O ATOM 0 H ASP A 56 -10.926 -8.701 -8.260 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.387 -6.268 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.408 -7.822 -8.495 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.658 -8.051 -10.062 1.00 0.00 H new ATOM 875 N PRO A 57 -13.363 -5.904 -6.749 1.00 0.00 N ATOM 876 CA PRO A 57 -13.560 -5.482 -5.334 1.00 0.00 C ATOM 877 C PRO A 57 -14.313 -6.565 -4.566 1.00 0.00 C ATOM 878 O PRO A 57 -14.391 -6.542 -3.338 1.00 0.00 O ATOM 879 CB PRO A 57 -14.393 -4.179 -5.418 1.00 0.00 C ATOM 880 CG PRO A 57 -14.652 -3.923 -6.881 1.00 0.00 C ATOM 881 CD PRO A 57 -14.288 -5.197 -7.645 1.00 0.00 C ATOM 0 HA PRO A 57 -12.618 -5.323 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.330 -4.283 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.853 -3.345 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.698 -3.664 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.056 -3.081 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.171 -5.798 -7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.818 -4.967 -8.601 1.00 0.00 H new ATOM 889 N ALA A 58 -14.875 -7.498 -5.320 1.00 0.00 N ATOM 890 CA ALA A 58 -15.636 -8.596 -4.739 1.00 0.00 C ATOM 891 C ALA A 58 -14.712 -9.536 -3.979 1.00 0.00 C ATOM 892 O ALA A 58 -15.039 -10.005 -2.889 1.00 0.00 O ATOM 893 CB ALA A 58 -16.341 -9.368 -5.855 1.00 0.00 C ATOM 0 H ALA A 58 -14.819 -7.517 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.373 -8.190 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.912 -10.191 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.016 -8.699 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.599 -9.765 -6.548 1.00 0.00 H new ATOM 899 N LYS A 59 -13.563 -9.812 -4.583 1.00 0.00 N ATOM 900 CA LYS A 59 -12.569 -10.710 -4.000 1.00 0.00 C ATOM 901 C LYS A 59 -11.545 -9.939 -3.163 1.00 0.00 C ATOM 902 O LYS A 59 -10.345 -10.021 -3.409 1.00 0.00 O ATOM 903 CB LYS A 59 -11.845 -11.459 -5.129 1.00 0.00 C ATOM 904 CG LYS A 59 -12.812 -12.437 -5.815 1.00 0.00 C ATOM 905 CD LYS A 59 -12.100 -13.158 -6.972 1.00 0.00 C ATOM 906 CE LYS A 59 -13.050 -14.179 -7.601 1.00 0.00 C ATOM 907 NZ LYS A 59 -14.075 -13.466 -8.412 1.00 0.00 N ATOM 0 H LYS A 59 -13.293 -9.423 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.082 -11.414 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.456 -10.748 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.990 -12.002 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.178 -13.166 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.681 -11.898 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.778 -12.435 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.203 -13.658 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.492 -14.873 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.533 -14.771 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.994 -13.510 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.794 -12.472 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.154 -13.917 -9.346 1.00 0.00 H new ATOM 921 N ARG A 60 -12.026 -9.182 -2.179 1.00 0.00 N ATOM 922 CA ARG A 60 -11.137 -8.394 -1.322 1.00 0.00 C ATOM 923 C ARG A 60 -10.260 -9.279 -0.432 1.00 0.00 C ATOM 924 O ARG A 60 -9.072 -9.014 -0.266 1.00 0.00 O ATOM 925 CB ARG A 60 -11.973 -7.449 -0.456 1.00 0.00 C ATOM 926 CG ARG A 60 -12.771 -8.268 0.559 1.00 0.00 C ATOM 927 CD ARG A 60 -13.813 -7.376 1.236 1.00 0.00 C ATOM 928 NE ARG A 60 -14.855 -7.020 0.282 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.673 -5.996 0.503 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.184 -4.817 0.767 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.966 -6.174 0.455 1.00 0.00 N ATOM 0 H ARG A 60 -13.017 -9.096 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.471 -7.822 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.325 -6.741 0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.649 -6.866 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.262 -9.104 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.100 -8.692 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.250 -7.895 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.337 -6.474 1.622 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.959 -7.567 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.174 -4.680 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.811 -4.031 0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.346 -7.098 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.595 -5.389 0.624 1.00 0.00 H new ATOM 945 N ARG A 61 -10.844 -10.318 0.152 1.00 0.00 N ATOM 946 CA ARG A 61 -10.081 -11.197 1.038 1.00 0.00 C ATOM 947 C ARG A 61 -8.809 -11.664 0.349 1.00 0.00 C ATOM 948 O ARG A 61 -7.718 -11.625 0.924 1.00 0.00 O ATOM 949 CB ARG A 61 -10.916 -12.422 1.387 1.00 0.00 C ATOM 950 CG ARG A 61 -12.133 -12.005 2.207 1.00 0.00 C ATOM 951 CD ARG A 61 -13.002 -13.230 2.487 1.00 0.00 C ATOM 952 NE ARG A 61 -12.266 -14.192 3.302 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.799 -15.362 3.640 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.105 -16.233 2.718 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.019 -15.638 4.898 1.00 0.00 N ATOM 0 H ARG A 61 -11.825 -10.572 0.034 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.827 -10.641 1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.236 -12.926 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.314 -13.135 1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.814 -11.550 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.709 -11.253 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.914 -12.928 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.304 -13.693 1.548 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.324 -13.962 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.935 -16.017 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.514 -17.130 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.782 -14.956 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.428 -16.535 5.159 1.00 0.00 H new ATOM 969 N HIS A 62 -8.966 -12.094 -0.892 1.00 0.00 N ATOM 970 CA HIS A 62 -7.848 -12.560 -1.687 1.00 0.00 C ATOM 971 C HIS A 62 -6.905 -11.405 -2.017 1.00 0.00 C ATOM 972 O HIS A 62 -5.695 -11.591 -2.117 1.00 0.00 O ATOM 973 CB HIS A 62 -8.376 -13.179 -2.975 1.00 0.00 C ATOM 974 CG HIS A 62 -9.055 -14.487 -2.666 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.344 -15.638 -2.360 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.381 -14.846 -2.618 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.235 -16.624 -2.146 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.491 -16.194 -2.291 1.00 0.00 N ATOM 0 H HIS A 62 -9.866 -12.129 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.292 -13.305 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.078 -12.498 -3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.557 -13.340 -3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.212 -14.182 -2.806 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.967 -17.638 -1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.348 -16.737 -2.185 1.00 0.00 H new ATOM 986 N ASN A 63 -7.473 -10.216 -2.188 1.00 0.00 N ATOM 987 CA ASN A 63 -6.679 -9.026 -2.510 1.00 0.00 C ATOM 988 C ASN A 63 -5.688 -8.731 -1.401 1.00 0.00 C ATOM 989 O ASN A 63 -4.528 -8.417 -1.652 1.00 0.00 O ATOM 990 CB ASN A 63 -7.611 -7.822 -2.678 1.00 0.00 C ATOM 991 CG ASN A 63 -6.941 -6.715 -3.489 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.556 -6.928 -4.637 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.778 -5.536 -2.952 1.00 0.00 N ATOM 0 H ASN A 63 -8.476 -10.046 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.133 -9.212 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.529 -8.136 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.894 -7.438 -1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.331 -4.790 -3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.098 -5.361 -1.999 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.147 -8.847 -0.166 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.267 -8.598 0.963 1.00 0.00 C ATOM 1002 C PHE A 64 -4.213 -9.701 1.046 1.00 0.00 C ATOM 1003 O PHE A 64 -3.015 -9.424 1.082 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.075 -8.522 2.266 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.752 -7.167 2.383 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.026 -6.058 2.844 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.100 -7.019 2.032 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.646 -4.808 2.952 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.719 -5.768 2.142 1.00 0.00 C ATOM 1010 CZ PHE A 64 -7.993 -4.664 2.600 1.00 0.00 C ATOM 0 H PHE A 64 -7.103 -9.106 0.078 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.765 -7.641 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.824 -9.314 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.418 -8.684 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.987 -6.169 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.662 -7.870 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.086 -3.955 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.759 -5.655 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.472 -3.700 2.682 1.00 0.00 H new ATOM 1020 N THR A 65 -4.665 -10.951 1.052 1.00 0.00 N ATOM 1021 CA THR A 65 -3.735 -12.073 1.121 1.00 0.00 C ATOM 1022 C THR A 65 -2.726 -11.968 -0.011 1.00 0.00 C ATOM 1023 O THR A 65 -1.530 -12.184 0.182 1.00 0.00 O ATOM 1024 CB THR A 65 -4.476 -13.407 1.002 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.581 -13.426 1.895 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.518 -14.553 1.343 1.00 0.00 C ATOM 0 H THR A 65 -5.651 -11.210 1.011 1.00 0.00 H new ATOM 0 HA THR A 65 -3.228 -12.036 2.085 1.00 0.00 H new ATOM 0 HB THR A 65 -4.840 -13.528 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.338 -12.955 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.044 -15.504 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.676 -14.541 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.152 -14.430 2.362 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.228 -11.638 -1.190 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.387 -11.508 -2.371 1.00 0.00 C ATOM 1036 C LEU A 66 -1.331 -10.429 -2.170 1.00 0.00 C ATOM 1037 O LEU A 66 -0.160 -10.642 -2.478 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.274 -11.134 -3.558 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.455 -10.965 -4.842 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.917 -12.322 -5.311 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.370 -10.377 -5.917 1.00 0.00 C ATOM 0 H LEU A 66 -4.218 -11.454 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.878 -12.454 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.029 -11.906 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.804 -10.207 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.608 -10.304 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.337 -12.188 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.280 -12.748 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.751 -12.996 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.808 -10.247 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.207 -11.053 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.748 -9.411 -5.584 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.751 -9.276 -1.681 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.809 -8.193 -1.477 1.00 0.00 C ATOM 1055 C ALA A 67 0.280 -8.628 -0.516 1.00 0.00 C ATOM 1056 O ALA A 67 1.453 -8.295 -0.692 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.526 -6.971 -0.915 1.00 0.00 C ATOM 0 H ALA A 67 -2.716 -9.068 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.361 -7.934 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.808 -6.164 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.296 -6.647 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.987 -7.227 0.039 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.117 -9.378 0.500 1.00 0.00 N ATOM 1064 CA PHE A 68 0.833 -9.849 1.490 1.00 0.00 C ATOM 1065 C PHE A 68 1.586 -11.077 0.984 1.00 0.00 C ATOM 1066 O PHE A 68 2.814 -11.121 1.050 1.00 0.00 O ATOM 1067 CB PHE A 68 0.103 -10.163 2.804 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.554 -8.903 3.358 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.228 -7.780 3.675 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.945 -8.858 3.566 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.378 -6.623 4.191 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.545 -7.703 4.083 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.762 -6.586 4.395 1.00 0.00 C ATOM 0 H PHE A 68 -1.081 -9.670 0.658 1.00 0.00 H new ATOM 0 HA PHE A 68 1.565 -9.062 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.652 -10.931 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.807 -10.565 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.297 -7.806 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.553 -9.718 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.225 -5.760 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.613 -7.674 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.226 -5.696 4.793 1.00 0.00 H new ATOM 1083 N SER A 69 0.860 -12.067 0.481 1.00 0.00 N ATOM 1084 CA SER A 69 1.501 -13.275 -0.024 1.00 0.00 C ATOM 1085 C SER A 69 2.414 -12.956 -1.204 1.00 0.00 C ATOM 1086 O SER A 69 3.440 -13.613 -1.402 1.00 0.00 O ATOM 1087 CB SER A 69 0.448 -14.297 -0.464 1.00 0.00 C ATOM 1088 OG SER A 69 -0.256 -13.790 -1.589 1.00 0.00 O ATOM 0 H SER A 69 -0.158 -12.060 0.412 1.00 0.00 H new ATOM 0 HA SER A 69 2.100 -13.695 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.926 -15.244 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.245 -14.497 0.353 1.00 0.00 H new ATOM 0 HG SER A 69 -0.930 -14.442 -1.874 1.00 0.00 H new ATOM 1094 N THR A 70 2.058 -11.927 -1.974 1.00 0.00 N ATOM 1095 CA THR A 70 2.886 -11.528 -3.102 1.00 0.00 C ATOM 1096 C THR A 70 4.091 -10.731 -2.621 1.00 0.00 C ATOM 1097 O THR A 70 5.220 -10.983 -3.038 1.00 0.00 O ATOM 1098 CB THR A 70 2.082 -10.700 -4.106 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.898 -11.399 -4.460 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.933 -10.463 -5.353 1.00 0.00 C ATOM 0 H THR A 70 1.217 -11.366 -1.838 1.00 0.00 H new ATOM 0 HA THR A 70 3.233 -12.433 -3.600 1.00 0.00 H new ATOM 0 HB THR A 70 1.811 -9.743 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.259 -11.357 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.366 -9.873 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.840 -9.925 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.200 -11.421 -5.799 1.00 0.00 H new ATOM 1108 N ALA A 71 3.844 -9.768 -1.743 1.00 0.00 N ATOM 1109 CA ALA A 71 4.921 -8.939 -1.218 1.00 0.00 C ATOM 1110 C ALA A 71 5.915 -9.773 -0.418 1.00 0.00 C ATOM 1111 O ALA A 71 7.117 -9.506 -0.439 1.00 0.00 O ATOM 1112 CB ALA A 71 4.356 -7.834 -0.322 1.00 0.00 C ATOM 0 H ALA A 71 2.917 -9.543 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 71 5.438 -8.492 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.173 -7.224 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.677 -7.208 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.815 -8.282 0.511 1.00 0.00 H new ATOM 1118 N GLU A 72 5.416 -10.787 0.284 1.00 0.00 N ATOM 1119 CA GLU A 72 6.291 -11.637 1.077 1.00 0.00 C ATOM 1120 C GLU A 72 7.160 -12.511 0.174 1.00 0.00 C ATOM 1121 O GLU A 72 8.372 -12.592 0.346 1.00 0.00 O ATOM 1122 CB GLU A 72 5.458 -12.529 2.008 1.00 0.00 C ATOM 1123 CG GLU A 72 6.365 -13.157 3.075 1.00 0.00 C ATOM 1124 CD GLU A 72 6.815 -12.092 4.072 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.349 -10.969 3.962 1.00 0.00 O ATOM 1126 OE2 GLU A 72 7.621 -12.414 4.930 1.00 0.00 O ATOM 0 H GLU A 72 4.427 -11.035 0.319 1.00 0.00 H new ATOM 0 HA GLU A 72 6.939 -10.996 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.674 -11.941 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.964 -13.311 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.831 -13.952 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.234 -13.614 2.602 1.00 0.00 H new ATOM 1133 N LYS A 73 6.546 -13.181 -0.784 1.00 0.00 N ATOM 1134 CA LYS A 73 7.318 -14.046 -1.659 1.00 0.00 C ATOM 1135 C LYS A 73 8.375 -13.245 -2.425 1.00 0.00 C ATOM 1136 O LYS A 73 9.493 -13.719 -2.637 1.00 0.00 O ATOM 1137 CB LYS A 73 6.385 -14.758 -2.647 1.00 0.00 C ATOM 1138 CG LYS A 73 5.429 -15.729 -1.913 1.00 0.00 C ATOM 1139 CD LYS A 73 6.131 -17.061 -1.616 1.00 0.00 C ATOM 1140 CE LYS A 73 5.130 -18.042 -1.001 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.064 -18.352 -1.996 1.00 0.00 N ATOM 0 H LYS A 73 5.544 -13.147 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 73 7.828 -14.788 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.804 -14.019 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.977 -15.309 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.088 -15.277 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.544 -15.907 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.547 -17.477 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.965 -16.900 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.639 -18.958 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.689 -17.612 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.637 -19.273 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.332 -17.614 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.478 -18.386 -2.949 1.00 0.00 H new ATOM 1155 N LEU A 74 8.003 -12.048 -2.868 1.00 0.00 N ATOM 1156 CA LEU A 74 8.908 -11.201 -3.634 1.00 0.00 C ATOM 1157 C LEU A 74 9.905 -10.444 -2.749 1.00 0.00 C ATOM 1158 O LEU A 74 11.086 -10.381 -3.080 1.00 0.00 O ATOM 1159 CB LEU A 74 8.092 -10.193 -4.455 1.00 0.00 C ATOM 1160 CG LEU A 74 7.244 -10.926 -5.513 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.349 -9.910 -6.236 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.157 -11.623 -6.541 1.00 0.00 C ATOM 0 H LEU A 74 7.080 -11.643 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 74 9.486 -11.855 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.444 -9.617 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.761 -9.484 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 74 6.630 -11.678 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.747 -10.424 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.692 -9.425 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.971 -9.159 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.545 -12.137 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.780 -10.879 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.793 -12.347 -6.031 1.00 0.00 H new ATOM 1174 N ALA A 75 9.436 -9.834 -1.651 1.00 0.00 N ATOM 1175 CA ALA A 75 10.336 -9.049 -0.792 1.00 0.00 C ATOM 1176 C ALA A 75 10.373 -9.551 0.647 1.00 0.00 C ATOM 1177 O ALA A 75 11.010 -8.929 1.496 1.00 0.00 O ATOM 1178 CB ALA A 75 9.884 -7.587 -0.803 1.00 0.00 C ATOM 0 H ALA A 75 8.465 -9.866 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 75 11.343 -9.154 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.545 -6.997 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.921 -7.203 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.864 -7.519 -0.426 1.00 0.00 H new ATOM 1184 N ASP A 76 9.716 -10.672 0.936 1.00 0.00 N ATOM 1185 CA ASP A 76 9.736 -11.195 2.297 1.00 0.00 C ATOM 1186 C ASP A 76 9.422 -10.077 3.290 1.00 0.00 C ATOM 1187 O ASP A 76 9.963 -10.034 4.394 1.00 0.00 O ATOM 1188 CB ASP A 76 11.114 -11.778 2.587 1.00 0.00 C ATOM 1189 CG ASP A 76 11.380 -12.978 1.680 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.436 -13.688 1.377 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.524 -13.163 1.295 1.00 0.00 O ATOM 0 H ASP A 76 9.178 -11.222 0.266 1.00 0.00 H new ATOM 0 HA ASP A 76 8.981 -11.975 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.879 -11.018 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.176 -12.082 3.632 1.00 0.00 H new ATOM 1196 N CYS A 77 8.555 -9.165 2.858 1.00 0.00 N ATOM 1197 CA CYS A 77 8.157 -8.015 3.663 1.00 0.00 C ATOM 1198 C CYS A 77 7.752 -8.400 5.089 1.00 0.00 C ATOM 1199 O CYS A 77 7.993 -9.517 5.546 1.00 0.00 O ATOM 1200 CB CYS A 77 6.993 -7.300 2.969 1.00 0.00 C ATOM 1201 SG CYS A 77 6.966 -5.561 3.463 1.00 0.00 S ATOM 0 H CYS A 77 8.109 -9.203 1.941 1.00 0.00 H new ATOM 0 HA CYS A 77 9.021 -7.356 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.098 -7.379 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.050 -7.778 3.234 1.00 0.00 H new ATOM 0 HG CYS A 77 5.866 -5.008 3.045 1.00 0.00 H new ATOM 1207 N ALA A 78 7.118 -7.447 5.770 1.00 0.00 N ATOM 1208 CA ALA A 78 6.652 -7.647 7.141 1.00 0.00 C ATOM 1209 C ALA A 78 5.253 -8.264 7.140 1.00 0.00 C ATOM 1210 O ALA A 78 4.622 -8.382 6.094 1.00 0.00 O ATOM 1211 CB ALA A 78 6.628 -6.305 7.880 1.00 0.00 C ATOM 0 H ALA A 78 6.914 -6.522 5.391 1.00 0.00 H new ATOM 0 HA ALA A 78 7.335 -8.327 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.280 -6.458 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.632 -5.882 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.954 -5.619 7.366 1.00 0.00 H new ATOM 1217 N GLN A 79 4.779 -8.655 8.322 1.00 0.00 N ATOM 1218 CA GLN A 79 3.452 -9.262 8.462 1.00 0.00 C ATOM 1219 C GLN A 79 2.683 -8.579 9.587 1.00 0.00 C ATOM 1220 O GLN A 79 2.014 -9.239 10.381 1.00 0.00 O ATOM 1221 CB GLN A 79 3.604 -10.749 8.781 1.00 0.00 C ATOM 1222 CG GLN A 79 4.145 -11.476 7.553 1.00 0.00 C ATOM 1223 CD GLN A 79 4.350 -12.956 7.865 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.980 -13.420 8.943 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.925 -13.726 6.982 1.00 0.00 N ATOM 0 H GLN A 79 5.293 -8.563 9.198 1.00 0.00 H new ATOM 0 HA GLN A 79 2.903 -9.140 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.280 -10.884 9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.642 -11.170 9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.450 -11.365 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.089 -11.028 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.231 -13.339 6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.069 -14.715 7.185 1.00 0.00 H new ATOM 1234 N LEU A 80 2.805 -7.261 9.660 1.00 0.00 N ATOM 1235 CA LEU A 80 2.140 -6.495 10.711 1.00 0.00 C ATOM 1236 C LEU A 80 0.616 -6.544 10.566 1.00 0.00 C ATOM 1237 O LEU A 80 -0.108 -6.359 11.547 1.00 0.00 O ATOM 1238 CB LEU A 80 2.579 -5.022 10.663 1.00 0.00 C ATOM 1239 CG LEU A 80 4.091 -4.899 10.471 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.472 -3.422 10.523 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.838 -5.645 11.570 1.00 0.00 C ATOM 0 H LEU A 80 3.355 -6.700 9.009 1.00 0.00 H new ATOM 0 HA LEU A 80 2.426 -6.946 11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.064 -4.513 9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.286 -4.523 11.586 1.00 0.00 H new ATOM 0 HG LEU A 80 4.363 -5.333 9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.549 -3.319 10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.953 -2.884 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.187 -3.006 11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.912 -5.544 11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.572 -5.226 12.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.565 -6.700 11.544 1.00 0.00 H new ATOM 1253 N LEU A 81 0.122 -6.770 9.341 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.340 -6.806 9.093 1.00 0.00 C ATOM 1255 C LEU A 81 -1.827 -8.202 8.701 1.00 0.00 C ATOM 1256 O LEU A 81 -1.154 -8.930 7.971 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.717 -5.834 7.953 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.903 -4.545 8.066 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.271 -3.605 6.918 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.231 -3.862 9.385 1.00 0.00 C ATOM 0 H LEU A 81 0.696 -6.929 8.513 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.818 -6.513 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.533 -6.305 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.782 -5.605 7.998 1.00 0.00 H new ATOM 0 HG LEU A 81 0.160 -4.782 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.690 -2.686 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.052 -4.090 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.334 -3.368 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.653 -2.942 9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.295 -3.627 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.980 -4.527 10.211 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.024 -8.545 9.183 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.649 -9.833 8.883 1.00 0.00 C ATOM 1274 C GLU A 82 -4.883 -9.625 8.013 1.00 0.00 C ATOM 1275 O GLU A 82 -5.716 -8.765 8.288 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.038 -10.532 10.181 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.768 -10.948 10.919 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.125 -11.589 12.255 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.306 -11.710 12.534 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.212 -11.954 12.977 1.00 0.00 O ATOM 0 H GLU A 82 -3.583 -7.942 9.787 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.938 -10.456 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.635 -9.865 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.654 -11.406 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.198 -11.650 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.132 -10.078 11.083 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.979 -10.417 6.956 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.086 -10.324 6.020 1.00 0.00 C ATOM 1289 C VAL A 83 -7.436 -10.310 6.734 1.00 0.00 C ATOM 1290 O VAL A 83 -8.265 -9.424 6.509 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.017 -11.544 5.092 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.238 -11.568 4.150 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.697 -11.508 4.288 1.00 0.00 C ATOM 0 H VAL A 83 -4.295 -11.138 6.725 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.002 -9.391 5.463 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.037 -12.456 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.177 -12.439 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.152 -11.621 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.249 -10.661 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.649 -12.375 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.659 -10.596 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.851 -11.527 4.976 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.658 -11.309 7.564 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.920 -11.433 8.279 1.00 0.00 C ATOM 1305 C ASP A 84 -9.233 -10.174 9.074 1.00 0.00 C ATOM 1306 O ASP A 84 -10.358 -9.673 9.037 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.855 -12.634 9.221 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.889 -13.928 8.417 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.105 -13.851 7.218 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.696 -14.975 9.009 1.00 0.00 O ATOM 0 H ASP A 84 -6.984 -12.048 7.763 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.715 -11.576 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.944 -12.590 9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.693 -12.606 9.917 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.247 -9.668 9.797 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.443 -8.474 10.595 1.00 0.00 C ATOM 1317 C ASP A 85 -8.872 -7.314 9.714 1.00 0.00 C ATOM 1318 O ASP A 85 -9.810 -6.585 10.041 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.138 -8.114 11.313 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.881 -9.090 12.457 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.583 -10.085 12.528 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.988 -8.826 13.245 1.00 0.00 O ATOM 0 H ASP A 85 -7.309 -10.065 9.846 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.224 -8.668 11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.307 -8.141 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.195 -7.096 11.699 1.00 0.00 H new ATOM 1327 N MET A 86 -8.190 -7.155 8.591 1.00 0.00 N ATOM 1328 CA MET A 86 -8.517 -6.083 7.668 1.00 0.00 C ATOM 1329 C MET A 86 -9.930 -6.270 7.139 1.00 0.00 C ATOM 1330 O MET A 86 -10.715 -5.324 7.055 1.00 0.00 O ATOM 1331 CB MET A 86 -7.539 -6.118 6.492 1.00 0.00 C ATOM 1332 CG MET A 86 -6.100 -5.879 6.978 1.00 0.00 C ATOM 1333 SD MET A 86 -5.233 -4.800 5.806 1.00 0.00 S ATOM 1334 CE MET A 86 -5.593 -3.239 6.644 1.00 0.00 C ATOM 0 H MET A 86 -7.414 -7.749 8.299 1.00 0.00 H new ATOM 0 HA MET A 86 -8.447 -5.127 8.188 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.603 -7.082 5.987 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.813 -5.357 5.761 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.111 -5.423 7.968 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.574 -6.829 7.070 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.387 -2.408 5.969 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.643 -3.217 6.937 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.966 -3.149 7.531 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.236 -7.510 6.801 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.547 -7.859 6.282 1.00 0.00 C ATOM 1346 C VAL A 87 -12.635 -7.591 7.316 1.00 0.00 C ATOM 1347 O VAL A 87 -13.671 -7.004 6.995 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.547 -9.338 5.886 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.972 -9.788 5.539 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.627 -9.537 4.670 1.00 0.00 C ATOM 0 H VAL A 87 -9.591 -8.296 6.877 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.759 -7.241 5.409 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.183 -9.936 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.963 -10.841 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.619 -9.649 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.348 -9.194 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.624 -10.589 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.990 -8.936 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.614 -9.228 4.926 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.399 -8.029 8.546 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.366 -7.841 9.618 1.00 0.00 C ATOM 1362 C ARG A 88 -13.449 -6.382 10.042 1.00 0.00 C ATOM 1363 O ARG A 88 -14.537 -5.827 10.194 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.948 -8.698 10.814 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.095 -10.175 10.451 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.649 -11.049 11.624 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.573 -10.888 12.740 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.411 -11.564 13.872 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -12.228 -11.669 14.409 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -14.440 -12.127 14.445 1.00 0.00 N ATOM 0 H ARG A 88 -11.547 -8.516 8.825 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.350 -8.141 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.916 -8.480 11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.566 -8.461 11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.132 -10.394 10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.496 -10.403 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.614 -12.094 11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.641 -10.773 11.932 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.359 -10.244 12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.423 -11.231 13.960 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.107 -12.189 15.278 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.365 -12.047 14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.319 -12.647 15.314 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.294 -5.763 10.244 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.261 -4.370 10.658 1.00 0.00 C ATOM 1386 C LEU A 89 -12.844 -3.478 9.568 1.00 0.00 C ATOM 1387 O LEU A 89 -13.698 -2.629 9.830 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.809 -3.952 10.933 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.273 -4.654 12.195 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.752 -4.451 12.286 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.935 -4.070 13.456 1.00 0.00 C ATOM 0 H LEU A 89 -11.379 -6.198 10.129 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.857 -4.259 11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.184 -4.204 10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.754 -2.871 11.060 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.505 -5.717 12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.371 -4.947 13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.275 -4.876 11.403 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.530 -3.385 12.341 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.546 -4.577 14.339 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.715 -3.005 13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.014 -4.215 13.401 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.333 -3.652 8.357 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.763 -2.825 7.237 1.00 0.00 C ATOM 1405 C ALA A 90 -12.474 -1.374 7.606 1.00 0.00 C ATOM 1406 O ALA A 90 -13.117 -0.442 7.127 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.261 -3.023 6.960 1.00 0.00 C ATOM 0 H ALA A 90 -11.627 -4.351 8.126 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.227 -3.104 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.562 -2.397 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.451 -4.069 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.834 -2.744 7.844 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.471 -1.229 8.474 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.020 0.069 8.969 1.00 0.00 C ATOM 1415 C VAL A 91 -9.615 -0.071 9.570 1.00 0.00 C ATOM 1416 O VAL A 91 -9.483 -0.339 10.763 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.981 0.578 10.061 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.401 1.839 10.720 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.346 0.915 9.444 1.00 0.00 C ATOM 0 H VAL A 91 -10.946 -2.016 8.855 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.002 0.776 8.140 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.104 -0.203 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.085 2.194 11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.437 1.603 11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.269 2.615 9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.019 1.274 10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.222 1.689 8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.768 0.022 8.984 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.567 0.101 8.793 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.176 -0.010 9.310 1.00 0.00 C ATOM 1431 C PRO A 92 -6.808 1.186 10.184 1.00 0.00 C ATOM 1432 O PRO A 92 -7.652 2.030 10.485 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.284 -0.092 8.050 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.212 -0.046 6.865 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.583 0.420 7.363 1.00 0.00 C ATOM 0 HA PRO A 92 -7.049 -0.883 9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.577 0.737 8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.698 -1.011 8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.829 0.636 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.288 -1.029 6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.728 1.487 7.194 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.392 -0.097 6.847 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.541 1.248 10.576 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.053 2.346 11.409 1.00 0.00 C ATOM 1445 C ASP A 93 -3.950 3.109 10.682 1.00 0.00 C ATOM 1446 O ASP A 93 -3.021 2.523 10.136 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.543 1.804 12.748 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.601 2.900 13.808 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.197 4.011 13.501 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.056 2.616 14.900 1.00 0.00 O ATOM 0 H ASP A 93 -4.833 0.555 10.333 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.875 3.034 11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.148 0.952 13.060 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.520 1.445 12.639 1.00 0.00 H new ATOM 1455 N SER A 94 -4.084 4.425 10.661 1.00 0.00 N ATOM 1456 CA SER A 94 -3.120 5.280 9.975 1.00 0.00 C ATOM 1457 C SER A 94 -1.696 4.908 10.352 1.00 0.00 C ATOM 1458 O SER A 94 -0.782 4.987 9.530 1.00 0.00 O ATOM 1459 CB SER A 94 -3.372 6.742 10.342 1.00 0.00 C ATOM 1460 OG SER A 94 -4.727 7.069 10.064 1.00 0.00 O ATOM 0 H SER A 94 -4.850 4.928 11.110 1.00 0.00 H new ATOM 0 HA SER A 94 -3.245 5.139 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.155 6.907 11.398 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.705 7.391 9.775 1.00 0.00 H new ATOM 0 HG SER A 94 -4.892 8.006 10.300 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.513 4.493 11.591 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.197 4.101 12.056 1.00 0.00 C ATOM 1468 C LYS A 95 0.157 2.711 11.556 1.00 0.00 C ATOM 1469 O LYS A 95 1.325 2.401 11.333 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.165 4.110 13.587 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.052 2.987 14.136 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.121 3.088 15.663 1.00 0.00 C ATOM 1473 CE LYS A 95 -1.983 1.953 16.225 1.00 0.00 C ATOM 1474 NZ LYS A 95 -2.009 2.044 17.711 1.00 0.00 N ATOM 0 H LYS A 95 -2.253 4.419 12.289 1.00 0.00 H new ATOM 0 HA LYS A 95 0.531 4.812 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.859 3.981 13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.511 5.074 13.961 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.053 3.060 13.711 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.651 2.017 13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.117 3.036 16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.540 4.052 15.953 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.996 2.019 15.827 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.581 0.988 15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.594 1.275 18.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.041 1.961 18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.411 2.960 17.996 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.861 1.872 11.390 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.636 0.510 10.932 1.00 0.00 C ATOM 1490 C CYS A 96 -0.113 0.504 9.500 1.00 0.00 C ATOM 1491 O CYS A 96 0.930 -0.082 9.209 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.946 -0.289 11.000 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.175 -0.945 12.670 1.00 0.00 S ATOM 0 H CYS A 96 -1.838 2.109 11.564 1.00 0.00 H new ATOM 0 HA CYS A 96 0.108 0.048 11.581 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.787 0.350 10.732 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.923 -1.106 10.278 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.286 -1.618 12.723 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.846 1.171 8.617 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.458 1.253 7.221 1.00 0.00 C ATOM 1501 C VAL A 97 0.887 1.937 7.128 1.00 0.00 C ATOM 1502 O VAL A 97 1.769 1.512 6.383 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.486 2.069 6.435 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.009 2.250 4.994 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.837 1.349 6.450 1.00 0.00 C ATOM 0 H VAL A 97 -1.711 1.661 8.846 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.404 0.248 6.803 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.598 3.049 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.744 2.832 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.053 2.774 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.889 1.273 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.567 1.933 5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.730 0.366 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.177 1.235 7.479 1.00 0.00 H new ATOM 1515 N TYR A 98 1.038 2.997 7.900 1.00 0.00 N ATOM 1516 CA TYR A 98 2.274 3.746 7.906 1.00 0.00 C ATOM 1517 C TYR A 98 3.425 2.837 8.294 1.00 0.00 C ATOM 1518 O TYR A 98 4.443 2.782 7.608 1.00 0.00 O ATOM 1519 CB TYR A 98 2.167 4.890 8.920 1.00 0.00 C ATOM 1520 CG TYR A 98 3.494 5.604 9.026 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.522 5.054 9.801 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.696 6.811 8.348 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.755 5.709 9.893 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.930 7.468 8.446 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.959 6.915 9.217 1.00 0.00 C ATOM 1526 OH TYR A 98 7.175 7.557 9.305 1.00 0.00 O ATOM 0 H TYR A 98 0.320 3.356 8.529 1.00 0.00 H new ATOM 0 HA TYR A 98 2.455 4.150 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.390 5.590 8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.875 4.499 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.363 4.125 10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.903 7.235 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.550 5.282 10.487 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.087 8.402 7.926 1.00 0.00 H new ATOM 0 HH TYR A 98 7.149 8.381 8.775 1.00 0.00 H new ATOM 1536 N THR A 99 3.255 2.124 9.398 1.00 0.00 N ATOM 1537 CA THR A 99 4.295 1.226 9.870 1.00 0.00 C ATOM 1538 C THR A 99 4.616 0.193 8.805 1.00 0.00 C ATOM 1539 O THR A 99 5.784 -0.089 8.534 1.00 0.00 O ATOM 1540 CB THR A 99 3.848 0.524 11.154 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.350 1.487 12.074 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.037 -0.208 11.778 1.00 0.00 C ATOM 0 H THR A 99 2.416 2.150 9.977 1.00 0.00 H new ATOM 0 HA THR A 99 5.190 1.812 10.080 1.00 0.00 H new ATOM 0 HB THR A 99 3.062 -0.194 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.371 1.502 12.034 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.717 -0.708 12.693 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.419 -0.948 11.075 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.824 0.509 12.012 1.00 0.00 H new ATOM 1550 N TYR A 100 3.578 -0.365 8.191 1.00 0.00 N ATOM 1551 CA TYR A 100 3.757 -1.358 7.144 1.00 0.00 C ATOM 1552 C TYR A 100 4.514 -0.756 5.968 1.00 0.00 C ATOM 1553 O TYR A 100 5.511 -1.303 5.497 1.00 0.00 O ATOM 1554 CB TYR A 100 2.383 -1.798 6.655 1.00 0.00 C ATOM 1555 CG TYR A 100 2.542 -2.954 5.705 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.530 -4.263 6.192 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.694 -2.715 4.336 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.674 -5.340 5.309 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.836 -3.790 3.450 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.826 -5.104 3.936 1.00 0.00 C ATOM 1561 OH TYR A 100 2.965 -6.165 3.065 1.00 0.00 O ATOM 0 H TYR A 100 2.605 -0.145 8.402 1.00 0.00 H new ATOM 0 HA TYR A 100 4.321 -2.201 7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.759 -2.090 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.879 -0.970 6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.410 -4.444 7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.702 -1.702 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.668 -6.352 5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.953 -3.606 2.392 1.00 0.00 H new ATOM 0 HH TYR A 100 3.059 -5.827 2.150 1.00 0.00 H new ATOM 1571 N ILE A 101 4.015 0.388 5.508 1.00 0.00 N ATOM 1572 CA ILE A 101 4.614 1.095 4.388 1.00 0.00 C ATOM 1573 C ILE A 101 6.057 1.437 4.732 1.00 0.00 C ATOM 1574 O ILE A 101 6.944 1.383 3.879 1.00 0.00 O ATOM 1575 CB ILE A 101 3.817 2.381 4.095 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.412 2.028 3.548 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.567 3.252 3.082 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.446 1.672 2.051 1.00 0.00 C ATOM 0 H ILE A 101 3.191 0.845 5.899 1.00 0.00 H new ATOM 0 HA ILE A 101 4.593 0.464 3.500 1.00 0.00 H new ATOM 0 HB ILE A 101 3.705 2.938 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.005 1.188 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.740 2.872 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.992 4.157 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.542 3.522 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.700 2.697 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.439 1.432 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.827 2.521 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.096 0.811 1.896 1.00 0.00 H new ATOM 1590 N GLN A 102 6.276 1.790 5.995 1.00 0.00 N ATOM 1591 CA GLN A 102 7.608 2.147 6.471 1.00 0.00 C ATOM 1592 C GLN A 102 8.599 1.032 6.181 1.00 0.00 C ATOM 1593 O GLN A 102 9.622 1.244 5.532 1.00 0.00 O ATOM 1594 CB GLN A 102 7.566 2.370 7.985 1.00 0.00 C ATOM 1595 CG GLN A 102 8.787 3.182 8.413 1.00 0.00 C ATOM 1596 CD GLN A 102 8.846 3.286 9.932 1.00 0.00 C ATOM 1597 OE1 GLN A 102 9.844 3.749 10.483 1.00 0.00 O ATOM 1598 NE2 GLN A 102 7.831 2.882 10.646 1.00 0.00 N ATOM 0 H GLN A 102 5.548 1.836 6.708 1.00 0.00 H new ATOM 0 HA GLN A 102 7.922 3.055 5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.652 2.895 8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.553 1.412 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.696 2.711 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.741 4.179 7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.005 2.499 10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.864 2.950 11.663 1.00 0.00 H new ATOM 1607 N GLU A 103 8.293 -0.154 6.682 1.00 0.00 N ATOM 1608 CA GLU A 103 9.171 -1.292 6.474 1.00 0.00 C ATOM 1609 C GLU A 103 9.328 -1.553 4.985 1.00 0.00 C ATOM 1610 O GLU A 103 10.435 -1.759 4.486 1.00 0.00 O ATOM 1611 CB GLU A 103 8.593 -2.526 7.170 1.00 0.00 C ATOM 1612 CG GLU A 103 8.731 -2.374 8.687 1.00 0.00 C ATOM 1613 CD GLU A 103 10.202 -2.429 9.086 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.857 -3.393 8.725 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.652 -1.506 9.747 1.00 0.00 O ATOM 0 H GLU A 103 7.455 -0.352 7.228 1.00 0.00 H new ATOM 0 HA GLU A 103 10.151 -1.075 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.544 -2.649 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.115 -3.422 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.294 -1.428 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.179 -3.167 9.192 1.00 0.00 H new ATOM 1622 N LEU A 104 8.209 -1.545 4.279 1.00 0.00 N ATOM 1623 CA LEU A 104 8.209 -1.785 2.846 1.00 0.00 C ATOM 1624 C LEU A 104 9.051 -0.748 2.123 1.00 0.00 C ATOM 1625 O LEU A 104 9.846 -1.081 1.249 1.00 0.00 O ATOM 1626 CB LEU A 104 6.771 -1.670 2.354 1.00 0.00 C ATOM 1627 CG LEU A 104 6.668 -1.945 0.845 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.019 -3.408 0.539 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.234 -1.659 0.385 1.00 0.00 C ATOM 0 H LEU A 104 7.286 -1.374 4.677 1.00 0.00 H new ATOM 0 HA LEU A 104 8.625 -2.772 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.142 -2.375 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.390 -0.672 2.570 1.00 0.00 H new ATOM 0 HG LEU A 104 7.370 -1.300 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.941 -3.584 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.038 -3.614 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.328 -4.066 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.150 -1.851 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.543 -2.306 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.988 -0.616 0.587 1.00 0.00 H new ATOM 1641 N TYR A 105 8.867 0.505 2.499 1.00 0.00 N ATOM 1642 CA TYR A 105 9.601 1.596 1.879 1.00 0.00 C ATOM 1643 C TYR A 105 11.086 1.328 1.957 1.00 0.00 C ATOM 1644 O TYR A 105 11.819 1.471 0.976 1.00 0.00 O ATOM 1645 CB TYR A 105 9.292 2.888 2.637 1.00 0.00 C ATOM 1646 CG TYR A 105 10.127 4.021 2.100 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.653 4.797 1.041 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.381 4.295 2.666 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.425 5.850 0.545 1.00 0.00 C ATOM 1650 CE2 TYR A 105 12.155 5.348 2.168 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.676 6.126 1.108 1.00 0.00 C ATOM 1652 OH TYR A 105 12.438 7.166 0.617 1.00 0.00 O ATOM 0 H TYR A 105 8.216 0.793 3.230 1.00 0.00 H new ATOM 0 HA TYR A 105 9.305 1.685 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.234 3.130 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.493 2.751 3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.688 4.583 0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.748 3.694 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.056 6.451 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.121 5.561 2.601 1.00 0.00 H new ATOM 0 HH TYR A 105 13.277 7.222 1.120 1.00 0.00 H new ATOM 1662 N ARG A 106 11.520 0.975 3.145 1.00 0.00 N ATOM 1663 CA ARG A 106 12.915 0.720 3.391 1.00 0.00 C ATOM 1664 C ARG A 106 13.425 -0.421 2.514 1.00 0.00 C ATOM 1665 O ARG A 106 14.512 -0.329 1.945 1.00 0.00 O ATOM 1666 CB ARG A 106 13.111 0.404 4.870 1.00 0.00 C ATOM 1667 CG ARG A 106 14.591 0.514 5.203 1.00 0.00 C ATOM 1668 CD ARG A 106 14.824 0.187 6.674 1.00 0.00 C ATOM 1669 NE ARG A 106 14.588 -1.228 6.915 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.710 -1.741 8.133 1.00 0.00 C ATOM 1671 NH1 ARG A 106 15.893 -1.873 8.667 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.648 -2.110 8.794 1.00 0.00 N ATOM 0 H ARG A 106 10.919 0.858 3.961 1.00 0.00 H new ATOM 0 HA ARG A 106 13.493 1.608 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.534 1.096 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.748 -0.599 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.164 -0.169 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.946 1.521 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.845 0.446 6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.160 0.786 7.297 1.00 0.00 H new ATOM 0 HE ARG A 106 14.325 -1.834 6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.722 -1.582 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.989 -2.267 9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.724 -2.004 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.741 -2.504 9.730 1.00 0.00 H new ATOM 1686 N SER A 107 12.642 -1.483 2.386 1.00 0.00 N ATOM 1687 CA SER A 107 13.054 -2.605 1.553 1.00 0.00 C ATOM 1688 C SER A 107 13.283 -2.127 0.118 1.00 0.00 C ATOM 1689 O SER A 107 14.236 -2.548 -0.538 1.00 0.00 O ATOM 1690 CB SER A 107 11.992 -3.704 1.572 1.00 0.00 C ATOM 1691 OG SER A 107 12.443 -4.807 0.795 1.00 0.00 O ATOM 0 H SER A 107 11.734 -1.592 2.839 1.00 0.00 H new ATOM 0 HA SER A 107 13.983 -3.013 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.799 -4.021 2.597 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.052 -3.324 1.173 1.00 0.00 H new ATOM 0 HG SER A 107 11.765 -5.514 0.806 1.00 0.00 H new ATOM 1697 N LEU A 108 12.403 -1.248 -0.364 1.00 0.00 N ATOM 1698 CA LEU A 108 12.513 -0.723 -1.721 1.00 0.00 C ATOM 1699 C LEU A 108 13.812 0.050 -1.903 1.00 0.00 C ATOM 1700 O LEU A 108 14.454 -0.037 -2.949 1.00 0.00 O ATOM 1701 CB LEU A 108 11.357 0.237 -2.022 1.00 0.00 C ATOM 1702 CG LEU A 108 10.010 -0.493 -1.985 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.881 0.531 -2.158 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.930 -1.531 -3.112 1.00 0.00 C ATOM 0 H LEU A 108 11.609 -0.887 0.165 1.00 0.00 H new ATOM 0 HA LEU A 108 12.487 -1.577 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.355 1.048 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.502 0.690 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 108 9.910 -1.006 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.919 0.019 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.925 1.261 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.996 1.041 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.967 -2.040 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.035 -1.031 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.731 -2.260 -2.992 1.00 0.00 H new ATOM 1716 N VAL A 109 14.178 0.829 -0.893 1.00 0.00 N ATOM 1717 CA VAL A 109 15.385 1.632 -0.971 1.00 0.00 C ATOM 1718 C VAL A 109 16.614 0.745 -1.113 1.00 0.00 C ATOM 1719 O VAL A 109 17.468 0.985 -1.968 1.00 0.00 O ATOM 1720 CB VAL A 109 15.502 2.506 0.281 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.859 3.211 0.304 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.390 3.557 0.260 1.00 0.00 C ATOM 0 H VAL A 109 13.660 0.920 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 109 15.326 2.272 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 109 15.411 1.879 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.932 3.830 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.655 2.467 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.958 3.839 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.465 4.184 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.491 4.176 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.420 3.060 0.248 1.00 0.00 H new ATOM 1732 N GLN A 110 16.695 -0.293 -0.289 1.00 0.00 N ATOM 1733 CA GLN A 110 17.828 -1.198 -0.361 1.00 0.00 C ATOM 1734 C GLN A 110 17.863 -1.851 -1.732 1.00 0.00 C ATOM 1735 O GLN A 110 18.897 -1.871 -2.403 1.00 0.00 O ATOM 1736 CB GLN A 110 17.722 -2.286 0.722 1.00 0.00 C ATOM 1737 CG GLN A 110 17.114 -1.705 2.026 1.00 0.00 C ATOM 1738 CD GLN A 110 17.832 -2.256 3.259 1.00 0.00 C ATOM 1739 OE1 GLN A 110 19.052 -2.138 3.372 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.140 -2.847 4.195 1.00 0.00 N ATOM 0 H GLN A 110 16.002 -0.524 0.423 1.00 0.00 H new ATOM 0 HA GLN A 110 18.743 -0.629 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.103 -3.107 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.710 -2.699 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.189 -0.618 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.053 -1.951 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.129 -2.943 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.610 -3.213 5.023 1.00 0.00 H new ATOM 1749 N LYS A 111 16.717 -2.385 -2.136 1.00 0.00 N ATOM 1750 CA LYS A 111 16.607 -3.045 -3.432 1.00 0.00 C ATOM 1751 C LYS A 111 16.923 -2.058 -4.557 1.00 0.00 C ATOM 1752 O LYS A 111 17.212 -2.460 -5.684 1.00 0.00 O ATOM 1753 CB LYS A 111 15.191 -3.623 -3.624 1.00 0.00 C ATOM 1754 CG LYS A 111 14.972 -4.832 -2.697 1.00 0.00 C ATOM 1755 CD LYS A 111 13.527 -5.342 -2.834 1.00 0.00 C ATOM 1756 CE LYS A 111 13.304 -6.536 -1.897 1.00 0.00 C ATOM 1757 NZ LYS A 111 14.272 -7.621 -2.228 1.00 0.00 N ATOM 0 H LYS A 111 15.856 -2.375 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 111 17.327 -3.863 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.447 -2.855 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.052 -3.924 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.673 -5.627 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.171 -4.549 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.826 -4.543 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.332 -5.636 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.431 -6.226 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.283 -6.903 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.922 -8.525 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.375 -7.692 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.196 -7.404 -1.802 1.00 0.00 H new ATOM 1771 N GLY A 112 16.860 -0.764 -4.244 1.00 0.00 N ATOM 1772 CA GLY A 112 17.138 0.272 -5.241 1.00 0.00 C ATOM 1773 C GLY A 112 15.948 0.421 -6.171 1.00 0.00 C ATOM 1774 O GLY A 112 16.061 0.934 -7.286 1.00 0.00 O ATOM 0 H GLY A 112 16.621 -0.409 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.345 1.220 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.028 0.010 -5.813 1.00 0.00 H new ATOM 1778 N LEU A 113 14.807 -0.035 -5.676 1.00 0.00 N ATOM 1779 CA LEU A 113 13.551 0.036 -6.410 1.00 0.00 C ATOM 1780 C LEU A 113 13.021 1.469 -6.460 1.00 0.00 C ATOM 1781 O LEU A 113 12.573 1.944 -7.504 1.00 0.00 O ATOM 1782 CB LEU A 113 12.533 -0.879 -5.714 1.00 0.00 C ATOM 1783 CG LEU A 113 12.739 -2.341 -6.141 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.921 -3.251 -5.217 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.283 -2.547 -7.603 1.00 0.00 C ATOM 0 H LEU A 113 14.725 -0.465 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 113 13.715 -0.289 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.638 -0.792 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.521 -0.561 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 113 13.798 -2.588 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.061 -4.291 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.254 -3.119 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.865 -2.992 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.436 -3.588 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.226 -2.298 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.865 -1.901 -8.260 1.00 0.00 H new ATOM 1797 N VAL A 114 13.065 2.147 -5.315 1.00 0.00 N ATOM 1798 CA VAL A 114 12.577 3.521 -5.229 1.00 0.00 C ATOM 1799 C VAL A 114 13.466 4.479 -6.033 1.00 0.00 C ATOM 1800 O VAL A 114 12.976 5.446 -6.615 1.00 0.00 O ATOM 1801 CB VAL A 114 12.463 3.943 -3.739 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.708 5.453 -3.570 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.055 3.598 -3.205 1.00 0.00 C ATOM 0 H VAL A 114 13.431 1.771 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 114 11.584 3.574 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 114 13.222 3.400 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.622 5.720 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.708 5.702 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.968 6.008 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.979 3.896 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.304 4.130 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.887 2.524 -3.290 1.00 0.00 H new ATOM 1813 N LYS A 115 14.759 4.203 -6.055 1.00 0.00 N ATOM 1814 CA LYS A 115 15.706 5.044 -6.793 1.00 0.00 C ATOM 1815 C LYS A 115 15.688 4.681 -8.277 1.00 0.00 C ATOM 1816 O LYS A 115 16.725 4.399 -8.878 1.00 0.00 O ATOM 1817 CB LYS A 115 17.119 4.863 -6.226 1.00 0.00 C ATOM 1818 CG LYS A 115 18.036 5.985 -6.740 1.00 0.00 C ATOM 1819 CD LYS A 115 19.414 5.887 -6.064 1.00 0.00 C ATOM 1820 CE LYS A 115 20.332 7.012 -6.565 1.00 0.00 C ATOM 1821 NZ LYS A 115 21.656 6.920 -5.883 1.00 0.00 N ATOM 0 H LYS A 115 15.182 3.409 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 115 15.410 6.087 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.088 4.877 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.517 3.892 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.146 5.910 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.588 6.957 -6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.302 5.954 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.864 4.918 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.462 6.935 -7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.876 7.982 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 22.276 7.683 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.525 7.014 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 22.092 6.000 -6.094 1.00 0.00 H new ATOM 1835 N THR A 116 14.488 4.683 -8.864 1.00 0.00 N ATOM 1836 CA THR A 116 14.329 4.340 -10.279 1.00 0.00 C ATOM 1837 C THR A 116 14.436 5.578 -11.163 1.00 0.00 C ATOM 1838 O THR A 116 14.398 5.485 -12.390 1.00 0.00 O ATOM 1839 CB THR A 116 12.969 3.675 -10.506 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.627 3.761 -11.882 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.897 4.379 -9.670 1.00 0.00 C ATOM 0 H THR A 116 13.618 4.917 -8.385 1.00 0.00 H new ATOM 0 HA THR A 116 15.129 3.650 -10.548 1.00 0.00 H new ATOM 0 HB THR A 116 13.027 2.629 -10.205 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.400 4.082 -12.392 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.932 3.900 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.157 4.312 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.837 5.427 -9.963 1.00 0.00 H new ATOM 1849 N LYS A 117 14.568 6.731 -10.531 1.00 0.00 N ATOM 1850 CA LYS A 117 14.670 7.993 -11.259 1.00 0.00 C ATOM 1851 C LYS A 117 15.955 8.065 -12.079 1.00 0.00 C ATOM 1852 O LYS A 117 16.707 9.035 -11.980 1.00 0.00 O ATOM 1853 CB LYS A 117 14.647 9.160 -10.273 1.00 0.00 C ATOM 1854 CG LYS A 117 13.279 9.232 -9.594 1.00 0.00 C ATOM 1855 CD LYS A 117 13.282 10.362 -8.563 1.00 0.00 C ATOM 1856 CE LYS A 117 11.934 10.399 -7.842 1.00 0.00 C ATOM 1857 NZ LYS A 117 11.950 11.474 -6.812 1.00 0.00 N ATOM 0 H LYS A 117 14.608 6.824 -9.516 1.00 0.00 H new ATOM 0 HA LYS A 117 13.821 8.053 -11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 117 15.429 9.032 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 117 14.855 10.094 -10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.501 9.405 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 117 13.051 8.283 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 117 14.087 10.210 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.470 11.317 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.132 10.579 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.734 9.435 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.033 11.499 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.706 11.284 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.122 12.391 -7.270 1.00 0.00 H new ATOM 1871 N LYS A 118 16.205 7.043 -12.896 1.00 0.00 N ATOM 1872 CA LYS A 118 17.405 7.020 -13.727 1.00 0.00 C ATOM 1873 C LYS A 118 17.020 6.788 -15.186 1.00 0.00 C ATOM 1874 O LYS A 118 16.012 6.146 -15.483 1.00 0.00 O ATOM 1875 CB LYS A 118 18.345 5.909 -13.252 1.00 0.00 C ATOM 1876 CG LYS A 118 18.827 6.201 -11.820 1.00 0.00 C ATOM 1877 CD LYS A 118 19.825 5.110 -11.376 1.00 0.00 C ATOM 1878 CE LYS A 118 21.262 5.576 -11.649 1.00 0.00 C ATOM 1879 NZ LYS A 118 21.338 6.186 -13.005 1.00 0.00 N ATOM 0 H LYS A 118 15.599 6.229 -12.999 1.00 0.00 H new ATOM 0 HA LYS A 118 17.917 7.979 -13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.830 4.949 -13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 118 19.200 5.833 -13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 118 19.302 7.181 -11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.977 6.230 -11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.697 4.898 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 118 19.626 4.182 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 118 21.570 6.301 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 118 21.949 4.732 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.324 6.440 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 20.997 5.504 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 20.746 7.041 -13.035 1.00 0.00 H new ATOM 1893 N LYS A 119 17.825 7.322 -16.107 1.00 0.00 N ATOM 1894 CA LYS A 119 17.552 7.169 -17.533 1.00 0.00 C ATOM 1895 C LYS A 119 18.851 6.946 -18.301 1.00 0.00 C ATOM 1896 O LYS A 119 19.065 5.833 -18.749 1.00 0.00 O ATOM 1897 CB LYS A 119 16.844 8.420 -18.068 1.00 0.00 C ATOM 1898 CG LYS A 119 16.579 8.269 -19.573 1.00 0.00 C ATOM 1899 CD LYS A 119 15.620 7.097 -19.808 1.00 0.00 C ATOM 1900 CE LYS A 119 14.985 7.214 -21.193 1.00 0.00 C ATOM 1901 NZ LYS A 119 14.119 6.027 -21.440 1.00 0.00 N ATOM 1902 OXT LYS A 119 19.597 7.899 -18.447 1.00 0.00 O ATOM 0 H LYS A 119 18.664 7.860 -15.891 1.00 0.00 H new ATOM 0 HA LYS A 119 16.906 6.302 -17.672 1.00 0.00 H new ATOM 0 HB2 LYS A 119 15.904 8.571 -17.538 1.00 0.00 H new ATOM 0 HB3 LYS A 119 17.458 9.302 -17.885 1.00 0.00 H new ATOM 0 HG2 LYS A 119 16.151 9.189 -19.972 1.00 0.00 H new ATOM 0 HG3 LYS A 119 17.516 8.098 -20.103 1.00 0.00 H new ATOM 0 HD2 LYS A 119 16.158 6.153 -19.724 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.844 7.091 -19.042 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.396 8.129 -21.259 1.00 0.00 H new ATOM 0 HE3 LYS A 119 15.760 7.278 -21.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.685 6.104 -22.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.694 5.162 -21.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.372 5.986 -20.717 1.00 0.00 H new TER 1916 LYS A 119