USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= -0.157 K(o=-0.16,f=-1) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 82 CYS SG : rot -169:sc= -1.78! USER MOD Set 2.2: A 86 ASN : amide:sc= -0.347 K(o=-2.1,f=-3.8) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 150:sc= 1.91 (180deg=1.3) USER MOD Set 3.2: A 65 TYR OH : rot 41:sc= 0.127 USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.842 K(o=-0.8,f=-3.5!) USER MOD Set 4.2: A 25 TYR OH : rot -26:sc= 0.0437 USER MOD Set 5.1: A 10 CYS SG : rot -16:sc= -3.48! USER MOD Set 5.2: A 60 MET CE :methyl -149:sc= -2.76 (180deg=-0.973) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0903 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= -0.0139 (180deg=-0.129) USER MOD Single : A 4 SER OG : rot 180:sc= -0.051 USER MOD Single : A 6 GLN : amide:sc= -0.994 X(o=-0.99,f=-0.98) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc=-0.00295 (180deg=-0.0487) USER MOD Single : A 9 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.059) USER MOD Single : A 11 ASN : amide:sc= 0.779 K(o=0.78,f=-0.012) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -42:sc= 1.17 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0324) USER MOD Single : A 30 TYR OH : rot -130:sc= 0.194 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0746) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0366) USER MOD Single : A 49 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-7.9!) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.0715 (180deg=-1.31) USER MOD Single : A 54 SER OG : rot 101:sc= 1.32 USER MOD Single : A 55 THR OG1 : rot 149:sc= 0.972 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.0095) USER MOD Single : A 78 MET CE :methyl -131:sc= -0.975 (180deg=-3.26!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.22! C(o=-3.2!,f=-2.5!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.79 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.193) USER MOD Single : A 85 TYR OH : rot -98:sc= -0.86! USER MOD Single : A 90 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.8!) USER MOD Single : A 95 MET CE :methyl -113:sc= -0.48 (180deg=-3.49!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.892 K(o=-0.89,f=-5.9!) USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= 0.0381 (180deg=0.00863) USER MOD Single : A 110 MET CE :methyl 167:sc= -2.97 (180deg=-3.78) USER MOD Single : B 281 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=-0.0062) USER MOD Single : B 282 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : B 288 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0012) USER MOD Single : B 291 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.541 8.007 -1.721 1.00 0.00 N ATOM 2 CA GLY A 1 24.251 8.423 -2.317 1.00 0.00 C ATOM 3 C GLY A 1 23.794 7.465 -3.397 1.00 0.00 C ATOM 4 O GLY A 1 24.298 6.341 -3.477 1.00 0.00 O ATOM 0 H1 GLY A 1 25.510 8.151 -0.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.710 7.001 -1.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.311 8.576 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.492 8.480 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.351 9.424 -2.738 1.00 0.00 H new ATOM 10 N LYS A 2 22.849 7.914 -4.227 1.00 0.00 N ATOM 11 CA LYS A 2 22.299 7.097 -5.310 1.00 0.00 C ATOM 12 C LYS A 2 21.654 5.833 -4.754 1.00 0.00 C ATOM 13 O LYS A 2 22.004 4.720 -5.151 1.00 0.00 O ATOM 14 CB LYS A 2 23.384 6.740 -6.336 1.00 0.00 C ATOM 15 CG LYS A 2 23.994 7.944 -7.035 1.00 0.00 C ATOM 16 CD LYS A 2 22.954 8.726 -7.822 1.00 0.00 C ATOM 17 CE LYS A 2 23.555 9.962 -8.474 1.00 0.00 C ATOM 18 NZ LYS A 2 24.620 9.621 -9.454 1.00 0.00 N ATOM 0 H LYS A 2 22.446 8.849 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 2 21.533 7.683 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.176 6.185 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.955 6.076 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.458 8.597 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.785 7.612 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.520 8.085 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.142 9.023 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.768 10.524 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.968 10.612 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.893 10.475 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.449 9.246 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.264 8.903 -10.117 1.00 0.00 H new ATOM 32 N LEU A 3 20.708 6.031 -3.839 1.00 0.00 N ATOM 33 CA LEU A 3 20.038 4.942 -3.133 1.00 0.00 C ATOM 34 C LEU A 3 21.028 4.123 -2.317 1.00 0.00 C ATOM 35 O LEU A 3 21.671 3.201 -2.823 1.00 0.00 O ATOM 36 CB LEU A 3 19.272 4.022 -4.084 1.00 0.00 C ATOM 37 CG LEU A 3 18.075 4.644 -4.801 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.518 3.673 -5.831 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.993 5.028 -3.803 1.00 0.00 C ATOM 0 H LEU A 3 20.383 6.958 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 3 19.319 5.408 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.968 3.650 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.922 3.158 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 3 18.410 5.547 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.665 4.127 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.290 3.437 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.199 2.757 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.149 5.469 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.660 4.139 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.393 5.751 -3.093 1.00 0.00 H new ATOM 51 N SER A 4 21.130 4.463 -1.046 1.00 0.00 N ATOM 52 CA SER A 4 22.008 3.753 -0.129 1.00 0.00 C ATOM 53 C SER A 4 21.396 2.391 0.210 1.00 0.00 C ATOM 54 O SER A 4 20.313 2.064 -0.272 1.00 0.00 O ATOM 55 CB SER A 4 22.261 4.598 1.135 1.00 0.00 C ATOM 56 OG SER A 4 23.056 3.904 2.085 1.00 0.00 O ATOM 0 H SER A 4 20.612 5.232 -0.621 1.00 0.00 H new ATOM 0 HA SER A 4 22.975 3.584 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.757 5.528 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.307 4.868 1.588 1.00 0.00 H new ATOM 0 HG SER A 4 23.196 4.472 2.871 1.00 0.00 H new ATOM 62 N GLU A 5 22.077 1.613 1.043 1.00 0.00 N ATOM 63 CA GLU A 5 21.697 0.226 1.312 1.00 0.00 C ATOM 64 C GLU A 5 20.227 0.092 1.714 1.00 0.00 C ATOM 65 O GLU A 5 19.521 -0.786 1.218 1.00 0.00 O ATOM 66 CB GLU A 5 22.587 -0.359 2.405 1.00 0.00 C ATOM 67 CG GLU A 5 24.064 -0.326 2.056 1.00 0.00 C ATOM 68 CD GLU A 5 24.927 -0.960 3.121 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.360 -2.118 2.929 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.175 -0.310 4.155 1.00 0.00 O ATOM 0 H GLU A 5 22.906 1.922 1.551 1.00 0.00 H new ATOM 0 HA GLU A 5 21.835 -0.330 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.427 0.195 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.288 -1.390 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.222 -0.844 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.376 0.708 1.909 1.00 0.00 H new ATOM 77 N GLN A 6 19.770 0.967 2.598 1.00 0.00 N ATOM 78 CA GLN A 6 18.389 0.922 3.071 1.00 0.00 C ATOM 79 C GLN A 6 17.423 1.239 1.930 1.00 0.00 C ATOM 80 O GLN A 6 16.419 0.554 1.746 1.00 0.00 O ATOM 81 CB GLN A 6 18.169 1.910 4.227 1.00 0.00 C ATOM 82 CG GLN A 6 18.801 1.510 5.564 1.00 0.00 C ATOM 83 CD GLN A 6 20.259 1.098 5.465 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.161 1.932 5.540 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.503 -0.192 5.320 1.00 0.00 N ATOM 0 H GLN A 6 20.332 1.716 3.003 1.00 0.00 H new ATOM 0 HA GLN A 6 18.194 -0.087 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.567 2.881 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.097 2.036 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.718 2.347 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.230 0.685 5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.729 -0.854 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.465 -0.526 5.267 1.00 0.00 H new ATOM 94 N LEU A 7 17.749 2.261 1.144 1.00 0.00 N ATOM 95 CA LEU A 7 16.871 2.704 0.063 1.00 0.00 C ATOM 96 C LEU A 7 16.957 1.770 -1.141 1.00 0.00 C ATOM 97 O LEU A 7 16.008 1.636 -1.910 1.00 0.00 O ATOM 98 CB LEU A 7 17.209 4.137 -0.348 1.00 0.00 C ATOM 99 CG LEU A 7 16.958 5.182 0.733 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.499 6.530 0.296 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.473 5.280 1.054 1.00 0.00 C ATOM 0 H LEU A 7 18.612 2.797 1.234 1.00 0.00 H new ATOM 0 HA LEU A 7 15.846 2.678 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.258 4.180 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.622 4.396 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 7 17.481 4.874 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.313 7.267 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.572 6.452 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.001 6.841 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.317 6.032 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.925 5.564 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.113 4.314 1.408 1.00 0.00 H new ATOM 113 N LYS A 8 18.089 1.120 -1.309 1.00 0.00 N ATOM 114 CA LYS A 8 18.225 0.127 -2.353 1.00 0.00 C ATOM 115 C LYS A 8 17.442 -1.117 -1.968 1.00 0.00 C ATOM 116 O LYS A 8 16.858 -1.792 -2.819 1.00 0.00 O ATOM 117 CB LYS A 8 19.697 -0.199 -2.586 1.00 0.00 C ATOM 118 CG LYS A 8 19.949 -1.189 -3.717 1.00 0.00 C ATOM 119 CD LYS A 8 19.332 -0.726 -5.033 1.00 0.00 C ATOM 120 CE LYS A 8 19.840 0.648 -5.455 1.00 0.00 C ATOM 121 NZ LYS A 8 21.317 0.676 -5.640 1.00 0.00 N ATOM 0 H LYS A 8 18.924 1.260 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 8 17.821 0.520 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.232 0.726 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.118 -0.603 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.023 -1.323 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.537 -2.161 -3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.560 -1.451 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.247 -0.695 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.355 0.941 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.557 1.384 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.603 1.606 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.785 0.506 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.596 -0.064 -6.315 1.00 0.00 H new ATOM 135 N HIS A 9 17.410 -1.396 -0.674 1.00 0.00 N ATOM 136 CA HIS A 9 16.637 -2.511 -0.164 1.00 0.00 C ATOM 137 C HIS A 9 15.148 -2.190 -0.251 1.00 0.00 C ATOM 138 O HIS A 9 14.338 -3.065 -0.553 1.00 0.00 O ATOM 139 CB HIS A 9 17.028 -2.834 1.282 1.00 0.00 C ATOM 140 CG HIS A 9 16.826 -4.275 1.644 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.825 -5.067 2.165 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.735 -5.069 1.549 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.357 -6.284 2.369 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.090 -6.312 2.004 1.00 0.00 N ATOM 0 H HIS A 9 17.910 -0.865 0.039 1.00 0.00 H new ATOM 0 HA HIS A 9 16.851 -3.388 -0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.075 -2.572 1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.441 -2.211 1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.762 -4.777 1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.917 -7.117 2.768 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.476 -7.125 2.052 1.00 0.00 H new ATOM 153 N CYS A 10 14.787 -0.928 0.003 1.00 0.00 N ATOM 154 CA CYS A 10 13.390 -0.518 -0.085 1.00 0.00 C ATOM 155 C CYS A 10 12.925 -0.557 -1.532 1.00 0.00 C ATOM 156 O CYS A 10 11.750 -0.809 -1.811 1.00 0.00 O ATOM 157 CB CYS A 10 13.162 0.880 0.524 1.00 0.00 C ATOM 158 SG CYS A 10 13.729 2.276 -0.464 1.00 0.00 S ATOM 0 H CYS A 10 15.435 -0.186 0.267 1.00 0.00 H new ATOM 0 HA CYS A 10 12.798 -1.223 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.095 1.003 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.662 0.919 1.492 1.00 0.00 H new ATOM 0 HG CYS A 10 14.552 1.855 -1.378 1.00 0.00 H new ATOM 164 N ASN A 11 13.859 -0.335 -2.452 1.00 0.00 N ATOM 165 CA ASN A 11 13.562 -0.411 -3.872 1.00 0.00 C ATOM 166 C ASN A 11 13.223 -1.846 -4.256 1.00 0.00 C ATOM 167 O ASN A 11 12.299 -2.097 -5.032 1.00 0.00 O ATOM 168 CB ASN A 11 14.754 0.086 -4.694 1.00 0.00 C ATOM 169 CG ASN A 11 14.443 0.170 -6.173 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.633 -0.793 -6.917 1.00 0.00 O ATOM 171 ND2 ASN A 11 13.964 1.325 -6.610 1.00 0.00 N ATOM 0 H ASN A 11 14.828 -0.101 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 11 12.704 0.226 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.056 1.069 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.601 -0.583 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.737 1.442 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.822 2.097 -5.959 1.00 0.00 H new ATOM 178 N GLY A 12 13.967 -2.786 -3.681 1.00 0.00 N ATOM 179 CA GLY A 12 13.753 -4.192 -3.968 1.00 0.00 C ATOM 180 C GLY A 12 12.468 -4.716 -3.362 1.00 0.00 C ATOM 181 O GLY A 12 11.737 -5.474 -4.003 1.00 0.00 O ATOM 0 H GLY A 12 14.718 -2.597 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.729 -4.340 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.594 -4.770 -3.585 1.00 0.00 H new ATOM 185 N ILE A 13 12.195 -4.322 -2.122 1.00 0.00 N ATOM 186 CA ILE A 13 10.969 -4.718 -1.436 1.00 0.00 C ATOM 187 C ILE A 13 9.744 -4.253 -2.221 1.00 0.00 C ATOM 188 O ILE A 13 8.836 -5.037 -2.506 1.00 0.00 O ATOM 189 CB ILE A 13 10.921 -4.138 -0.003 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.027 -4.753 0.864 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.558 -4.358 0.621 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.220 -4.071 2.202 1.00 0.00 C ATOM 0 H ILE A 13 12.810 -3.725 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 13 10.961 -5.806 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 13 11.093 -3.063 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.796 -5.804 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.967 -4.718 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.548 -3.942 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.797 -3.864 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.347 -5.426 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.020 -4.567 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.484 -3.025 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.295 -4.128 2.776 1.00 0.00 H new ATOM 204 N LEU A 14 9.742 -2.973 -2.574 1.00 0.00 N ATOM 205 CA LEU A 14 8.687 -2.386 -3.382 1.00 0.00 C ATOM 206 C LEU A 14 8.508 -3.158 -4.686 1.00 0.00 C ATOM 207 O LEU A 14 7.394 -3.508 -5.066 1.00 0.00 O ATOM 208 CB LEU A 14 9.041 -0.934 -3.693 1.00 0.00 C ATOM 209 CG LEU A 14 7.868 0.025 -3.745 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.384 1.444 -3.708 1.00 0.00 C ATOM 211 CD2 LEU A 14 7.031 -0.195 -4.993 1.00 0.00 C ATOM 0 H LEU A 14 10.474 -2.315 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 14 7.752 -2.432 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.745 -0.580 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.558 -0.901 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 14 7.229 -0.159 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.544 2.138 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.946 1.603 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.035 1.617 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.198 0.508 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.648 -0.036 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.646 -1.215 -4.998 1.00 0.00 H new ATOM 223 N LYS A 15 9.627 -3.425 -5.350 1.00 0.00 N ATOM 224 CA LYS A 15 9.645 -4.150 -6.606 1.00 0.00 C ATOM 225 C LYS A 15 8.965 -5.509 -6.469 1.00 0.00 C ATOM 226 O LYS A 15 8.252 -5.959 -7.366 1.00 0.00 O ATOM 227 CB LYS A 15 11.100 -4.300 -7.055 1.00 0.00 C ATOM 228 CG LYS A 15 11.412 -5.635 -7.683 1.00 0.00 C ATOM 229 CD LYS A 15 10.954 -5.720 -9.124 1.00 0.00 C ATOM 230 CE LYS A 15 11.523 -6.957 -9.783 1.00 0.00 C ATOM 231 NZ LYS A 15 10.784 -7.328 -11.015 1.00 0.00 N ATOM 0 H LYS A 15 10.551 -3.141 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 15 9.085 -3.595 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.333 -3.510 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.752 -4.153 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.486 -5.813 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.932 -6.425 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.865 -5.745 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.273 -4.831 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.571 -6.786 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.492 -7.788 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.209 -8.181 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.789 -7.517 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.835 -6.546 -11.699 1.00 0.00 H new ATOM 245 N GLU A 16 9.163 -6.140 -5.331 1.00 0.00 N ATOM 246 CA GLU A 16 8.630 -7.476 -5.111 1.00 0.00 C ATOM 247 C GLU A 16 7.127 -7.424 -4.885 1.00 0.00 C ATOM 248 O GLU A 16 6.381 -8.249 -5.402 1.00 0.00 O ATOM 249 CB GLU A 16 9.300 -8.156 -3.914 1.00 0.00 C ATOM 250 CG GLU A 16 8.762 -9.554 -3.632 1.00 0.00 C ATOM 251 CD GLU A 16 8.862 -9.944 -2.184 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.616 -9.291 -1.444 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.205 -10.932 -1.790 1.00 0.00 O ATOM 0 H GLU A 16 9.686 -5.755 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 16 8.842 -8.060 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.373 -8.217 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.161 -7.536 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.719 -9.605 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.311 -10.277 -4.235 1.00 0.00 H new ATOM 260 N LEU A 17 6.688 -6.456 -4.107 1.00 0.00 N ATOM 261 CA LEU A 17 5.263 -6.254 -3.878 1.00 0.00 C ATOM 262 C LEU A 17 4.580 -5.861 -5.195 1.00 0.00 C ATOM 263 O LEU A 17 3.374 -6.029 -5.361 1.00 0.00 O ATOM 264 CB LEU A 17 5.062 -5.179 -2.803 1.00 0.00 C ATOM 265 CG LEU A 17 5.677 -5.497 -1.435 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.876 -4.217 -0.649 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.795 -6.454 -0.645 1.00 0.00 C ATOM 0 H LEU A 17 7.293 -5.795 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 17 4.809 -7.179 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.487 -4.243 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.992 -5.014 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 17 6.641 -5.978 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.313 -4.450 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.544 -3.553 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.914 -3.725 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.257 -6.661 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.816 -6.002 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.681 -7.385 -1.200 1.00 0.00 H new ATOM 279 N LEU A 18 5.382 -5.363 -6.134 1.00 0.00 N ATOM 280 CA LEU A 18 4.900 -4.993 -7.465 1.00 0.00 C ATOM 281 C LEU A 18 5.029 -6.143 -8.467 1.00 0.00 C ATOM 282 O LEU A 18 4.490 -6.073 -9.572 1.00 0.00 O ATOM 283 CB LEU A 18 5.689 -3.803 -8.000 1.00 0.00 C ATOM 284 CG LEU A 18 5.417 -2.473 -7.315 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.300 -1.398 -7.913 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.954 -2.085 -7.438 1.00 0.00 C ATOM 0 H LEU A 18 6.380 -5.205 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 18 3.845 -4.740 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.752 -4.026 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.473 -3.695 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 18 5.647 -2.577 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.101 -0.447 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.347 -1.668 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.089 -1.304 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.788 -1.130 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.689 -1.995 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.334 -2.851 -6.972 1.00 0.00 H new ATOM 298 N SER A 19 5.778 -7.172 -8.107 1.00 0.00 N ATOM 299 CA SER A 19 5.996 -8.303 -9.006 1.00 0.00 C ATOM 300 C SER A 19 4.715 -9.110 -9.202 1.00 0.00 C ATOM 301 O SER A 19 3.832 -9.137 -8.335 1.00 0.00 O ATOM 302 CB SER A 19 7.107 -9.213 -8.474 1.00 0.00 C ATOM 303 OG SER A 19 6.689 -9.917 -7.316 1.00 0.00 O ATOM 0 H SER A 19 6.245 -7.252 -7.204 1.00 0.00 H new ATOM 0 HA SER A 19 6.300 -7.899 -9.972 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.399 -9.923 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.988 -8.615 -8.240 1.00 0.00 H new ATOM 0 HG SER A 19 6.187 -9.313 -6.729 1.00 0.00 H new ATOM 309 N LYS A 20 4.641 -9.785 -10.348 1.00 0.00 N ATOM 310 CA LYS A 20 3.473 -10.572 -10.725 1.00 0.00 C ATOM 311 C LYS A 20 3.256 -11.730 -9.757 1.00 0.00 C ATOM 312 O LYS A 20 2.170 -12.307 -9.703 1.00 0.00 O ATOM 313 CB LYS A 20 3.628 -11.094 -12.153 1.00 0.00 C ATOM 314 CG LYS A 20 2.312 -11.552 -12.759 1.00 0.00 C ATOM 315 CD LYS A 20 1.401 -10.371 -13.069 1.00 0.00 C ATOM 316 CE LYS A 20 0.073 -10.817 -13.667 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.857 -9.675 -13.866 1.00 0.00 N ATOM 0 H LYS A 20 5.390 -9.800 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 20 2.597 -9.925 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.057 -10.310 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.333 -11.925 -12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.507 -12.113 -13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.809 -12.230 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.216 -9.806 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.904 -9.698 -13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.252 -11.310 -14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.391 -11.553 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.749 -10.021 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.049 -9.220 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.425 -8.984 -14.512 1.00 0.00 H new ATOM 331 N LYS A 21 4.289 -12.060 -8.992 1.00 0.00 N ATOM 332 CA LYS A 21 4.187 -13.073 -7.951 1.00 0.00 C ATOM 333 C LYS A 21 3.143 -12.677 -6.904 1.00 0.00 C ATOM 334 O LYS A 21 2.398 -13.520 -6.406 1.00 0.00 O ATOM 335 CB LYS A 21 5.558 -13.279 -7.292 1.00 0.00 C ATOM 336 CG LYS A 21 5.525 -14.087 -6.004 1.00 0.00 C ATOM 337 CD LYS A 21 6.909 -14.234 -5.413 1.00 0.00 C ATOM 338 CE LYS A 21 6.894 -15.218 -4.265 1.00 0.00 C ATOM 339 NZ LYS A 21 6.818 -16.629 -4.729 1.00 0.00 N ATOM 0 H LYS A 21 5.213 -11.637 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 21 3.866 -14.010 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.217 -13.779 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.996 -12.303 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.869 -13.599 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.105 -15.073 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.604 -14.573 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.267 -13.265 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.793 -15.084 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.043 -15.005 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.947 -17.268 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.889 -16.802 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.566 -16.805 -5.430 1.00 0.00 H new ATOM 353 N HIS A 22 3.071 -11.387 -6.593 1.00 0.00 N ATOM 354 CA HIS A 22 2.151 -10.910 -5.562 1.00 0.00 C ATOM 355 C HIS A 22 0.991 -10.149 -6.182 1.00 0.00 C ATOM 356 O HIS A 22 0.002 -9.884 -5.508 1.00 0.00 O ATOM 357 CB HIS A 22 2.875 -10.009 -4.543 1.00 0.00 C ATOM 358 CG HIS A 22 3.981 -10.698 -3.795 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.773 -11.454 -2.659 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.314 -10.722 -4.020 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.930 -11.911 -2.216 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.888 -11.481 -3.021 1.00 0.00 N ATOM 0 H HIS A 22 3.632 -10.658 -7.034 1.00 0.00 H new ATOM 0 HA HIS A 22 1.764 -11.785 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.287 -9.145 -5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.146 -9.630 -3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.834 -10.236 -4.832 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.071 -12.531 -1.343 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.884 -11.678 -2.920 1.00 0.00 H new ATOM 371 N ALA A 23 1.113 -9.828 -7.470 1.00 0.00 N ATOM 372 CA ALA A 23 0.136 -9.000 -8.184 1.00 0.00 C ATOM 373 C ALA A 23 -1.303 -9.461 -7.978 1.00 0.00 C ATOM 374 O ALA A 23 -2.217 -8.638 -7.904 1.00 0.00 O ATOM 375 CB ALA A 23 0.472 -8.985 -9.660 1.00 0.00 C ATOM 0 H ALA A 23 1.893 -10.135 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 23 0.201 -7.994 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.254 -8.370 -10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.471 -8.572 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.441 -10.002 -10.051 1.00 0.00 H new ATOM 381 N ALA A 24 -1.488 -10.771 -7.866 1.00 0.00 N ATOM 382 CA ALA A 24 -2.809 -11.367 -7.671 1.00 0.00 C ATOM 383 C ALA A 24 -3.534 -10.761 -6.468 1.00 0.00 C ATOM 384 O ALA A 24 -4.764 -10.693 -6.442 1.00 0.00 O ATOM 385 CB ALA A 24 -2.662 -12.868 -7.497 1.00 0.00 C ATOM 0 H ALA A 24 -0.729 -11.451 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.413 -11.155 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.645 -13.315 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.198 -13.294 -8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.037 -13.074 -6.628 1.00 0.00 H new ATOM 391 N TYR A 25 -2.768 -10.320 -5.483 1.00 0.00 N ATOM 392 CA TYR A 25 -3.330 -9.716 -4.284 1.00 0.00 C ATOM 393 C TYR A 25 -2.570 -8.444 -3.907 1.00 0.00 C ATOM 394 O TYR A 25 -2.634 -7.978 -2.771 1.00 0.00 O ATOM 395 CB TYR A 25 -3.336 -10.736 -3.134 1.00 0.00 C ATOM 396 CG TYR A 25 -2.071 -11.557 -3.008 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.917 -11.028 -2.452 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.045 -12.877 -3.437 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.228 -11.792 -2.328 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.905 -13.644 -3.321 1.00 0.00 C ATOM 401 CZ TYR A 25 0.227 -13.097 -2.766 1.00 0.00 C ATOM 402 OH TYR A 25 1.362 -13.858 -2.643 1.00 0.00 O ATOM 0 H TYR A 25 -1.749 -10.369 -5.490 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.362 -9.427 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.503 -10.205 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.179 -11.413 -3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.912 -10.003 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.934 -13.311 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.119 -11.367 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.902 -14.668 -3.664 1.00 0.00 H new ATOM 0 HH TYR A 25 2.149 -13.273 -2.636 1.00 0.00 H new ATOM 412 N ALA A 26 -1.857 -7.882 -4.881 1.00 0.00 N ATOM 413 CA ALA A 26 -1.118 -6.638 -4.678 1.00 0.00 C ATOM 414 C ALA A 26 -1.692 -5.511 -5.538 1.00 0.00 C ATOM 415 O ALA A 26 -1.377 -4.331 -5.336 1.00 0.00 O ATOM 416 CB ALA A 26 0.361 -6.832 -4.996 1.00 0.00 C ATOM 0 H ALA A 26 -1.775 -8.270 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.220 -6.359 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.893 -5.894 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.776 -7.599 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.472 -7.142 -6.035 1.00 0.00 H new ATOM 422 N TRP A 27 -2.548 -5.872 -6.496 1.00 0.00 N ATOM 423 CA TRP A 27 -3.128 -4.889 -7.412 1.00 0.00 C ATOM 424 C TRP A 27 -3.866 -3.733 -6.697 1.00 0.00 C ATOM 425 O TRP A 27 -3.818 -2.609 -7.195 1.00 0.00 O ATOM 426 CB TRP A 27 -4.045 -5.554 -8.462 1.00 0.00 C ATOM 427 CG TRP A 27 -5.192 -6.352 -7.906 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.199 -7.688 -7.630 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.508 -5.870 -7.587 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.426 -8.064 -7.143 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.247 -6.968 -7.109 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.130 -4.617 -7.649 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.572 -6.853 -6.698 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.446 -4.507 -7.243 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.155 -5.620 -6.774 1.00 0.00 C ATOM 0 H TRP A 27 -2.853 -6.832 -6.657 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.278 -4.442 -7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.447 -4.777 -9.112 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.438 -6.209 -9.086 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.361 -8.353 -7.774 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.685 -9.007 -6.853 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.591 -3.753 -8.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.120 -7.709 -6.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.937 -3.546 -7.288 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.183 -5.501 -6.466 1.00 0.00 H new ATOM 446 N PRO A 28 -4.559 -3.953 -5.537 1.00 0.00 N ATOM 447 CA PRO A 28 -5.219 -2.858 -4.809 1.00 0.00 C ATOM 448 C PRO A 28 -4.272 -1.708 -4.469 1.00 0.00 C ATOM 449 O PRO A 28 -4.712 -0.582 -4.248 1.00 0.00 O ATOM 450 CB PRO A 28 -5.715 -3.487 -3.496 1.00 0.00 C ATOM 451 CG PRO A 28 -5.228 -4.900 -3.482 1.00 0.00 C ATOM 452 CD PRO A 28 -4.807 -5.255 -4.884 1.00 0.00 C ATOM 0 HA PRO A 28 -6.011 -2.433 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.332 -2.938 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.803 -3.453 -3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.391 -5.009 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.014 -5.572 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.911 -5.876 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.584 -5.817 -5.402 1.00 0.00 H new ATOM 460 N PHE A 29 -2.978 -2.000 -4.432 1.00 0.00 N ATOM 461 CA PHE A 29 -2.001 -1.034 -3.932 1.00 0.00 C ATOM 462 C PHE A 29 -1.081 -0.525 -5.035 1.00 0.00 C ATOM 463 O PHE A 29 -0.276 0.381 -4.801 1.00 0.00 O ATOM 464 CB PHE A 29 -1.154 -1.657 -2.825 1.00 0.00 C ATOM 465 CG PHE A 29 -1.894 -2.674 -2.005 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.534 -4.010 -2.052 1.00 0.00 C ATOM 467 CD2 PHE A 29 -2.958 -2.298 -1.202 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.220 -4.950 -1.316 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.646 -3.236 -0.462 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.275 -4.563 -0.521 1.00 0.00 C ATOM 0 H PHE A 29 -2.581 -2.888 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.565 -0.188 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.278 -2.129 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.791 -0.867 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.706 -4.318 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.252 -1.260 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.931 -5.990 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.473 -2.932 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.813 -5.300 0.057 1.00 0.00 H new ATOM 480 N TYR A 30 -1.166 -1.126 -6.217 1.00 0.00 N ATOM 481 CA TYR A 30 -0.373 -0.670 -7.357 1.00 0.00 C ATOM 482 C TYR A 30 -0.639 0.803 -7.653 1.00 0.00 C ATOM 483 O TYR A 30 0.288 1.609 -7.689 1.00 0.00 O ATOM 484 CB TYR A 30 -0.660 -1.522 -8.601 1.00 0.00 C ATOM 485 CG TYR A 30 0.034 -2.866 -8.583 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.607 -3.339 -7.418 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.125 -3.657 -9.724 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.251 -4.554 -7.376 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.767 -4.879 -9.689 1.00 0.00 C ATOM 490 CZ TYR A 30 1.329 -5.320 -8.510 1.00 0.00 C ATOM 491 OH TYR A 30 1.968 -6.533 -8.464 1.00 0.00 O ATOM 0 H TYR A 30 -1.771 -1.924 -6.412 1.00 0.00 H new ATOM 0 HA TYR A 30 0.679 -0.784 -7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.736 -1.678 -8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.347 -0.972 -9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.548 -2.742 -6.520 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.312 -3.311 -10.649 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.693 -4.902 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.828 -5.486 -10.580 1.00 0.00 H new ATOM 0 HH TYR A 30 2.612 -6.591 -9.200 1.00 0.00 H new ATOM 501 N LYS A 31 -1.904 1.153 -7.831 1.00 0.00 N ATOM 502 CA LYS A 31 -2.286 2.509 -8.184 1.00 0.00 C ATOM 503 C LYS A 31 -3.458 2.973 -7.328 1.00 0.00 C ATOM 504 O LYS A 31 -4.213 2.143 -6.814 1.00 0.00 O ATOM 505 CB LYS A 31 -2.663 2.578 -9.663 1.00 0.00 C ATOM 506 CG LYS A 31 -1.475 2.451 -10.598 1.00 0.00 C ATOM 507 CD LYS A 31 -1.893 2.617 -12.048 1.00 0.00 C ATOM 508 CE LYS A 31 -0.773 2.259 -13.009 1.00 0.00 C ATOM 509 NZ LYS A 31 -0.509 0.794 -13.047 1.00 0.00 N ATOM 0 H LYS A 31 -2.689 0.509 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.437 3.167 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.376 1.784 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.168 3.524 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.728 3.203 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.005 1.477 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.759 1.986 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.202 3.648 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.031 2.606 -14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.137 2.783 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.125 0.576 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.061 0.499 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.406 0.283 -13.170 1.00 0.00 H new ATOM 523 N PRO A 32 -3.629 4.299 -7.179 1.00 0.00 N ATOM 524 CA PRO A 32 -4.720 4.883 -6.389 1.00 0.00 C ATOM 525 C PRO A 32 -6.083 4.378 -6.842 1.00 0.00 C ATOM 526 O PRO A 32 -6.362 4.309 -8.042 1.00 0.00 O ATOM 527 CB PRO A 32 -4.599 6.395 -6.652 1.00 0.00 C ATOM 528 CG PRO A 32 -3.699 6.519 -7.834 1.00 0.00 C ATOM 529 CD PRO A 32 -2.776 5.342 -7.765 1.00 0.00 C ATOM 0 HA PRO A 32 -4.643 4.618 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.574 6.838 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.185 6.913 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.270 6.515 -8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.142 7.456 -7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.407 5.058 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.903 5.547 -7.145 1.00 0.00 H new ATOM 537 N VAL A 33 -6.929 4.026 -5.876 1.00 0.00 N ATOM 538 CA VAL A 33 -8.243 3.467 -6.176 1.00 0.00 C ATOM 539 C VAL A 33 -9.060 4.465 -6.989 1.00 0.00 C ATOM 540 O VAL A 33 -8.924 5.682 -6.821 1.00 0.00 O ATOM 541 CB VAL A 33 -9.020 3.047 -4.892 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.064 2.632 -3.790 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.979 4.128 -4.405 1.00 0.00 C ATOM 0 H VAL A 33 -6.727 4.118 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.085 2.561 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.631 2.186 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.632 2.344 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.464 1.787 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.408 3.467 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.493 3.781 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.419 5.034 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.712 4.342 -5.183 1.00 0.00 H new ATOM 553 N ASP A 34 -9.890 3.952 -7.875 1.00 0.00 N ATOM 554 CA ASP A 34 -10.687 4.800 -8.753 1.00 0.00 C ATOM 555 C ASP A 34 -11.985 5.157 -8.058 1.00 0.00 C ATOM 556 O ASP A 34 -13.058 4.734 -8.475 1.00 0.00 O ATOM 557 CB ASP A 34 -10.973 4.099 -10.088 1.00 0.00 C ATOM 558 CG ASP A 34 -9.712 3.769 -10.862 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.284 4.596 -11.695 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.143 2.678 -10.648 1.00 0.00 O ATOM 0 H ASP A 34 -10.034 2.951 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.125 5.709 -8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.528 3.180 -9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.612 4.737 -10.699 1.00 0.00 H new ATOM 565 N ALA A 35 -11.860 5.939 -6.988 1.00 0.00 N ATOM 566 CA ALA A 35 -12.968 6.234 -6.085 1.00 0.00 C ATOM 567 C ALA A 35 -14.224 6.666 -6.830 1.00 0.00 C ATOM 568 O ALA A 35 -15.313 6.172 -6.547 1.00 0.00 O ATOM 569 CB ALA A 35 -12.552 7.294 -5.080 1.00 0.00 C ATOM 0 H ALA A 35 -10.983 6.387 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.214 5.312 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.385 7.508 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.704 6.932 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.268 8.204 -5.608 1.00 0.00 H new ATOM 575 N SER A 36 -14.074 7.563 -7.791 1.00 0.00 N ATOM 576 CA SER A 36 -15.207 8.036 -8.573 1.00 0.00 C ATOM 577 C SER A 36 -15.884 6.882 -9.315 1.00 0.00 C ATOM 578 O SER A 36 -17.112 6.819 -9.398 1.00 0.00 O ATOM 579 CB SER A 36 -14.741 9.101 -9.560 1.00 0.00 C ATOM 580 OG SER A 36 -14.145 10.194 -8.878 1.00 0.00 O ATOM 0 H SER A 36 -13.179 7.979 -8.049 1.00 0.00 H new ATOM 0 HA SER A 36 -15.940 8.471 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.025 8.668 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.588 9.452 -10.149 1.00 0.00 H new ATOM 0 HG SER A 36 -13.851 10.865 -9.529 1.00 0.00 H new ATOM 586 N ALA A 37 -15.079 5.959 -9.825 1.00 0.00 N ATOM 587 CA ALA A 37 -15.587 4.816 -10.573 1.00 0.00 C ATOM 588 C ALA A 37 -16.154 3.736 -9.649 1.00 0.00 C ATOM 589 O ALA A 37 -16.895 2.862 -10.096 1.00 0.00 O ATOM 590 CB ALA A 37 -14.489 4.235 -11.448 1.00 0.00 C ATOM 0 H ALA A 37 -14.063 5.980 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.403 5.170 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.879 3.382 -12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.142 4.995 -12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.658 3.911 -10.822 1.00 0.00 H new ATOM 596 N LEU A 38 -15.813 3.787 -8.365 1.00 0.00 N ATOM 597 CA LEU A 38 -16.356 2.801 -7.418 1.00 0.00 C ATOM 598 C LEU A 38 -17.468 3.410 -6.568 1.00 0.00 C ATOM 599 O LEU A 38 -17.963 2.778 -5.635 1.00 0.00 O ATOM 600 CB LEU A 38 -15.295 2.155 -6.515 1.00 0.00 C ATOM 601 CG LEU A 38 -13.947 1.839 -7.149 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.811 2.538 -6.410 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.750 0.355 -7.111 1.00 0.00 C ATOM 0 H LEU A 38 -15.182 4.477 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.765 2.001 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.123 2.818 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.708 1.228 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.937 2.200 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.862 2.293 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.965 3.617 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.793 2.205 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.789 0.104 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.767 0.012 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.550 -0.133 -7.668 1.00 0.00 H new ATOM 615 N GLY A 39 -17.859 4.637 -6.902 1.00 0.00 N ATOM 616 CA GLY A 39 -18.954 5.295 -6.204 1.00 0.00 C ATOM 617 C GLY A 39 -18.518 5.938 -4.902 1.00 0.00 C ATOM 618 O GLY A 39 -19.342 6.445 -4.137 1.00 0.00 O ATOM 0 H GLY A 39 -17.436 5.191 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.387 6.056 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.739 4.566 -5.999 1.00 0.00 H new ATOM 622 N LEU A 40 -17.220 5.931 -4.655 1.00 0.00 N ATOM 623 CA LEU A 40 -16.670 6.459 -3.419 1.00 0.00 C ATOM 624 C LEU A 40 -16.397 7.951 -3.556 1.00 0.00 C ATOM 625 O LEU A 40 -15.306 8.360 -3.947 1.00 0.00 O ATOM 626 CB LEU A 40 -15.375 5.727 -3.063 1.00 0.00 C ATOM 627 CG LEU A 40 -15.369 4.223 -3.339 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.111 3.586 -2.775 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.618 3.551 -2.783 1.00 0.00 C ATOM 0 H LEU A 40 -16.522 5.562 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.398 6.304 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.556 6.184 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.169 5.885 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.374 4.078 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.122 2.515 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.235 4.036 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.072 3.749 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.582 2.483 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.664 3.704 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.503 3.984 -3.249 1.00 0.00 H new ATOM 641 N HIS A 41 -17.391 8.760 -3.234 1.00 0.00 N ATOM 642 CA HIS A 41 -17.264 10.210 -3.351 1.00 0.00 C ATOM 643 C HIS A 41 -16.623 10.797 -2.098 1.00 0.00 C ATOM 644 O HIS A 41 -16.477 12.013 -1.973 1.00 0.00 O ATOM 645 CB HIS A 41 -18.640 10.861 -3.570 1.00 0.00 C ATOM 646 CG HIS A 41 -19.400 10.323 -4.757 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.248 10.833 -6.028 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.320 9.322 -4.868 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.032 10.178 -6.863 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.689 9.259 -6.186 1.00 0.00 N ATOM 0 H HIS A 41 -18.297 8.442 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.628 10.419 -4.211 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.243 10.719 -2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.505 11.935 -3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.688 8.697 -4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.120 10.364 -7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.365 8.605 -6.580 1.00 0.00 H new ATOM 659 N ASP A 42 -16.233 9.927 -1.177 1.00 0.00 N ATOM 660 CA ASP A 42 -15.743 10.362 0.125 1.00 0.00 C ATOM 661 C ASP A 42 -14.378 9.761 0.450 1.00 0.00 C ATOM 662 O ASP A 42 -13.980 9.701 1.612 1.00 0.00 O ATOM 663 CB ASP A 42 -16.745 9.961 1.205 1.00 0.00 C ATOM 664 CG ASP A 42 -18.048 10.724 1.114 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.250 11.662 1.914 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.881 10.381 0.253 1.00 0.00 O ATOM 0 H ASP A 42 -16.246 8.915 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.632 11.446 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.949 8.893 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.300 10.128 2.186 1.00 0.00 H new ATOM 671 N TYR A 43 -13.646 9.345 -0.571 1.00 0.00 N ATOM 672 CA TYR A 43 -12.406 8.609 -0.361 1.00 0.00 C ATOM 673 C TYR A 43 -11.301 9.512 0.174 1.00 0.00 C ATOM 674 O TYR A 43 -10.557 9.126 1.072 1.00 0.00 O ATOM 675 CB TYR A 43 -11.975 7.944 -1.676 1.00 0.00 C ATOM 676 CG TYR A 43 -10.646 7.219 -1.631 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.563 5.909 -1.189 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.479 7.837 -2.059 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.359 5.233 -1.168 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.270 7.170 -2.041 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.213 5.869 -1.595 1.00 0.00 C ATOM 682 OH TYR A 43 -7.008 5.204 -1.582 1.00 0.00 O ATOM 0 H TYR A 43 -13.886 9.503 -1.550 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.585 7.840 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.747 7.235 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.927 8.708 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.458 5.406 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.517 8.857 -2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.316 4.212 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.372 7.668 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.303 5.797 -1.916 1.00 0.00 H new ATOM 692 N HIS A 44 -11.215 10.724 -0.351 1.00 0.00 N ATOM 693 CA HIS A 44 -10.139 11.632 0.027 1.00 0.00 C ATOM 694 C HIS A 44 -10.473 12.367 1.324 1.00 0.00 C ATOM 695 O HIS A 44 -9.655 13.124 1.847 1.00 0.00 O ATOM 696 CB HIS A 44 -9.842 12.630 -1.100 1.00 0.00 C ATOM 697 CG HIS A 44 -9.242 11.998 -2.325 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.899 12.062 -2.632 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.818 11.289 -3.328 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.676 11.423 -3.767 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.823 10.944 -4.208 1.00 0.00 N ATOM 0 H HIS A 44 -11.871 11.101 -1.035 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.243 11.035 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.767 13.135 -1.379 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.161 13.395 -0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.866 11.042 -3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.717 11.312 -4.251 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.950 10.405 -5.064 1.00 0.00 H new ATOM 710 N ASP A 45 -11.677 12.137 1.838 1.00 0.00 N ATOM 711 CA ASP A 45 -12.083 12.700 3.123 1.00 0.00 C ATOM 712 C ASP A 45 -11.715 11.753 4.255 1.00 0.00 C ATOM 713 O ASP A 45 -11.154 12.164 5.270 1.00 0.00 O ATOM 714 CB ASP A 45 -13.588 12.977 3.160 1.00 0.00 C ATOM 715 CG ASP A 45 -13.987 14.201 2.362 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.073 15.299 2.952 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.230 14.073 1.145 1.00 0.00 O ATOM 0 H ASP A 45 -12.389 11.565 1.385 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.554 13.644 3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.121 12.109 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.902 13.108 4.196 1.00 0.00 H new ATOM 722 N ILE A 46 -12.034 10.477 4.074 1.00 0.00 N ATOM 723 CA ILE A 46 -11.721 9.463 5.075 1.00 0.00 C ATOM 724 C ILE A 46 -10.231 9.174 5.062 1.00 0.00 C ATOM 725 O ILE A 46 -9.586 9.098 6.107 1.00 0.00 O ATOM 726 CB ILE A 46 -12.520 8.145 4.859 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.973 8.296 5.303 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.898 6.977 5.617 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.803 9.228 4.451 1.00 0.00 C ATOM 0 H ILE A 46 -12.509 10.120 3.245 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.016 9.861 6.046 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.485 7.937 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.442 7.312 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.988 8.657 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.484 6.075 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.877 6.820 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.887 7.200 6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.819 9.271 4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.364 10.226 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.825 8.860 3.425 1.00 0.00 H new ATOM 741 N ILE A 47 -9.682 9.039 3.873 1.00 0.00 N ATOM 742 CA ILE A 47 -8.275 8.745 3.729 1.00 0.00 C ATOM 743 C ILE A 47 -7.466 10.028 3.579 1.00 0.00 C ATOM 744 O ILE A 47 -7.386 10.611 2.496 1.00 0.00 O ATOM 745 CB ILE A 47 -8.024 7.812 2.535 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.860 6.535 2.690 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.545 7.484 2.430 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.479 5.692 3.883 1.00 0.00 C ATOM 0 H ILE A 47 -10.190 9.129 2.993 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.948 8.234 4.635 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.326 8.313 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.912 6.809 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.758 5.934 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.379 6.822 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.977 8.404 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.216 6.990 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.116 4.808 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.437 5.385 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.609 6.273 4.796 1.00 0.00 H new ATOM 760 N LYS A 48 -6.884 10.472 4.685 1.00 0.00 N ATOM 761 CA LYS A 48 -6.079 11.680 4.696 1.00 0.00 C ATOM 762 C LYS A 48 -4.641 11.392 4.277 1.00 0.00 C ATOM 763 O LYS A 48 -3.923 12.293 3.849 1.00 0.00 O ATOM 764 CB LYS A 48 -6.112 12.328 6.076 1.00 0.00 C ATOM 765 CG LYS A 48 -7.423 13.043 6.369 1.00 0.00 C ATOM 766 CD LYS A 48 -7.622 14.249 5.458 1.00 0.00 C ATOM 767 CE LYS A 48 -9.069 14.695 5.427 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.604 15.006 6.778 1.00 0.00 N ATOM 0 H LYS A 48 -6.957 10.008 5.590 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.506 12.374 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.945 11.563 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.291 13.040 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.253 12.349 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.437 13.367 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.995 15.072 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.296 14.000 4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.159 15.577 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.676 13.912 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.533 15.464 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.704 14.126 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.950 15.646 7.272 1.00 0.00 H new ATOM 782 N HIS A 49 -4.218 10.137 4.412 1.00 0.00 N ATOM 783 CA HIS A 49 -2.899 9.719 3.941 1.00 0.00 C ATOM 784 C HIS A 49 -2.998 8.597 2.890 1.00 0.00 C ATOM 785 O HIS A 49 -2.642 7.443 3.162 1.00 0.00 O ATOM 786 CB HIS A 49 -2.025 9.278 5.122 1.00 0.00 C ATOM 787 CG HIS A 49 -2.720 8.406 6.125 1.00 0.00 C ATOM 788 ND1 HIS A 49 -3.015 7.079 5.899 1.00 0.00 N ATOM 789 CD2 HIS A 49 -3.156 8.675 7.377 1.00 0.00 C ATOM 790 CE1 HIS A 49 -3.599 6.571 6.969 1.00 0.00 C ATOM 791 NE2 HIS A 49 -3.695 7.518 7.878 1.00 0.00 N ATOM 0 H HIS A 49 -4.768 9.393 4.842 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.432 10.578 3.459 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.158 8.743 4.735 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.650 10.166 5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.814 6.569 5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.092 9.625 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.940 5.552 7.079 1.00 0.00 H new ATOM 800 N PRO A 50 -3.508 8.910 1.679 1.00 0.00 N ATOM 801 CA PRO A 50 -3.555 7.954 0.566 1.00 0.00 C ATOM 802 C PRO A 50 -2.189 7.744 -0.079 1.00 0.00 C ATOM 803 O PRO A 50 -1.591 8.679 -0.622 1.00 0.00 O ATOM 804 CB PRO A 50 -4.503 8.620 -0.430 1.00 0.00 C ATOM 805 CG PRO A 50 -4.327 10.076 -0.182 1.00 0.00 C ATOM 806 CD PRO A 50 -4.114 10.205 1.302 1.00 0.00 C ATOM 0 HA PRO A 50 -3.875 6.965 0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.250 8.357 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.535 8.310 -0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.475 10.469 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.204 10.638 -0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.456 11.041 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.053 10.377 1.829 1.00 0.00 H new ATOM 814 N MET A 51 -1.693 6.524 -0.021 1.00 0.00 N ATOM 815 CA MET A 51 -0.421 6.200 -0.636 1.00 0.00 C ATOM 816 C MET A 51 -0.537 4.914 -1.443 1.00 0.00 C ATOM 817 O MET A 51 -1.325 4.035 -1.110 1.00 0.00 O ATOM 818 CB MET A 51 0.685 6.089 0.429 1.00 0.00 C ATOM 819 CG MET A 51 2.017 5.577 -0.113 1.00 0.00 C ATOM 820 SD MET A 51 2.583 6.501 -1.559 1.00 0.00 S ATOM 821 CE MET A 51 2.582 8.168 -0.919 1.00 0.00 C ATOM 0 H MET A 51 -2.151 5.741 0.445 1.00 0.00 H new ATOM 0 HA MET A 51 -0.148 7.006 -1.317 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.840 7.069 0.881 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.346 5.422 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.772 5.639 0.671 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.917 4.524 -0.376 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.341 8.756 -1.435 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.602 8.619 -1.079 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.802 8.148 0.148 1.00 0.00 H new ATOM 831 N ASP A 52 0.253 4.830 -2.503 1.00 0.00 N ATOM 832 CA ASP A 52 0.222 3.703 -3.423 1.00 0.00 C ATOM 833 C ASP A 52 1.656 3.257 -3.686 1.00 0.00 C ATOM 834 O ASP A 52 2.557 4.092 -3.665 1.00 0.00 O ATOM 835 CB ASP A 52 -0.449 4.115 -4.746 1.00 0.00 C ATOM 836 CG ASP A 52 -1.526 5.168 -4.551 1.00 0.00 C ATOM 837 OD1 ASP A 52 -2.658 4.814 -4.175 1.00 0.00 O ATOM 838 OD2 ASP A 52 -1.228 6.367 -4.767 1.00 0.00 O ATOM 0 H ASP A 52 0.937 5.545 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.352 2.885 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.309 4.498 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.887 3.235 -5.216 1.00 0.00 H new ATOM 843 N LEU A 53 1.890 1.970 -3.922 1.00 0.00 N ATOM 844 CA LEU A 53 3.257 1.482 -4.133 1.00 0.00 C ATOM 845 C LEU A 53 3.949 2.191 -5.297 1.00 0.00 C ATOM 846 O LEU A 53 5.136 2.513 -5.215 1.00 0.00 O ATOM 847 CB LEU A 53 3.268 -0.031 -4.331 1.00 0.00 C ATOM 848 CG LEU A 53 3.180 -0.827 -3.036 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.918 -2.280 -3.336 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.451 -0.679 -2.224 1.00 0.00 C ATOM 0 H LEU A 53 1.167 1.253 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 53 3.825 1.717 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.432 -0.309 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.181 -0.312 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 53 2.352 -0.433 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.857 -2.839 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.977 -2.376 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.730 -2.678 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.364 -1.257 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.298 -1.046 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.606 0.372 -1.980 1.00 0.00 H new ATOM 862 N SER A 54 3.204 2.463 -6.362 1.00 0.00 N ATOM 863 CA SER A 54 3.751 3.193 -7.502 1.00 0.00 C ATOM 864 C SER A 54 4.149 4.619 -7.104 1.00 0.00 C ATOM 865 O SER A 54 5.084 5.195 -7.663 1.00 0.00 O ATOM 866 CB SER A 54 2.743 3.223 -8.651 1.00 0.00 C ATOM 867 OG SER A 54 2.436 1.908 -9.086 1.00 0.00 O ATOM 0 H SER A 54 2.226 2.192 -6.461 1.00 0.00 H new ATOM 0 HA SER A 54 4.648 2.672 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.832 3.726 -8.328 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.149 3.800 -9.482 1.00 0.00 H new ATOM 0 HG SER A 54 1.575 1.631 -8.709 1.00 0.00 H new ATOM 873 N THR A 55 3.447 5.175 -6.121 1.00 0.00 N ATOM 874 CA THR A 55 3.731 6.517 -5.634 1.00 0.00 C ATOM 875 C THR A 55 4.911 6.496 -4.669 1.00 0.00 C ATOM 876 O THR A 55 5.712 7.430 -4.634 1.00 0.00 O ATOM 877 CB THR A 55 2.509 7.122 -4.931 1.00 0.00 C ATOM 878 OG1 THR A 55 1.319 6.766 -5.653 1.00 0.00 O ATOM 879 CG2 THR A 55 2.640 8.631 -4.872 1.00 0.00 C ATOM 0 H THR A 55 2.673 4.712 -5.645 1.00 0.00 H new ATOM 0 HA THR A 55 3.979 7.135 -6.497 1.00 0.00 H new ATOM 0 HB THR A 55 2.449 6.732 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.569 6.684 -5.028 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.768 9.053 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.540 8.897 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.706 9.030 -5.884 1.00 0.00 H new ATOM 887 N VAL A 56 5.016 5.420 -3.896 1.00 0.00 N ATOM 888 CA VAL A 56 6.156 5.230 -3.010 1.00 0.00 C ATOM 889 C VAL A 56 7.429 5.185 -3.834 1.00 0.00 C ATOM 890 O VAL A 56 8.415 5.859 -3.531 1.00 0.00 O ATOM 891 CB VAL A 56 6.049 3.926 -2.190 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.292 3.730 -1.338 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.811 3.936 -1.316 1.00 0.00 C ATOM 0 H VAL A 56 4.327 4.669 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 56 6.171 6.067 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 56 5.968 3.094 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.200 2.806 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.169 3.672 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.400 4.571 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.759 3.007 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.859 4.779 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.924 4.029 -1.943 1.00 0.00 H new ATOM 903 N LYS A 57 7.381 4.401 -4.901 1.00 0.00 N ATOM 904 CA LYS A 57 8.508 4.260 -5.801 1.00 0.00 C ATOM 905 C LYS A 57 8.796 5.588 -6.474 1.00 0.00 C ATOM 906 O LYS A 57 9.944 5.974 -6.635 1.00 0.00 O ATOM 907 CB LYS A 57 8.223 3.199 -6.858 1.00 0.00 C ATOM 908 CG LYS A 57 9.364 2.216 -7.041 1.00 0.00 C ATOM 909 CD LYS A 57 9.107 1.251 -8.183 1.00 0.00 C ATOM 910 CE LYS A 57 10.138 0.140 -8.185 1.00 0.00 C ATOM 911 NZ LYS A 57 9.938 -0.812 -9.309 1.00 0.00 N ATOM 0 H LYS A 57 6.564 3.850 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 57 9.377 3.949 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.322 2.652 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.018 3.689 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.287 2.764 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.510 1.655 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.107 0.827 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.139 1.786 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.136 0.573 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.088 -0.401 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.666 -1.554 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.996 -1.247 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.012 -0.303 -10.213 1.00 0.00 H new ATOM 925 N ARG A 58 7.729 6.277 -6.848 1.00 0.00 N ATOM 926 CA ARG A 58 7.818 7.595 -7.462 1.00 0.00 C ATOM 927 C ARG A 58 8.633 8.553 -6.598 1.00 0.00 C ATOM 928 O ARG A 58 9.568 9.203 -7.075 1.00 0.00 O ATOM 929 CB ARG A 58 6.408 8.142 -7.653 1.00 0.00 C ATOM 930 CG ARG A 58 6.348 9.515 -8.301 1.00 0.00 C ATOM 931 CD ARG A 58 4.921 10.013 -8.383 1.00 0.00 C ATOM 932 NE ARG A 58 4.829 11.354 -8.949 1.00 0.00 N ATOM 933 CZ ARG A 58 3.768 11.808 -9.616 1.00 0.00 C ATOM 934 NH1 ARG A 58 2.741 11.001 -9.869 1.00 0.00 N ATOM 935 NH2 ARG A 58 3.740 13.064 -10.043 1.00 0.00 N ATOM 0 H ARG A 58 6.774 5.938 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 58 8.322 7.504 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.839 7.441 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.916 8.191 -6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.950 10.219 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.779 9.468 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.334 9.325 -8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.481 10.012 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 58 5.624 11.982 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.764 10.032 -9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.931 11.352 -10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.531 13.682 -9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.928 13.411 -10.553 1.00 0.00 H new ATOM 949 N LYS A 59 8.279 8.620 -5.325 1.00 0.00 N ATOM 950 CA LYS A 59 8.936 9.521 -4.391 1.00 0.00 C ATOM 951 C LYS A 59 10.322 8.993 -4.015 1.00 0.00 C ATOM 952 O LYS A 59 11.237 9.767 -3.726 1.00 0.00 O ATOM 953 CB LYS A 59 8.046 9.717 -3.160 1.00 0.00 C ATOM 954 CG LYS A 59 6.709 10.367 -3.492 1.00 0.00 C ATOM 955 CD LYS A 59 5.670 10.191 -2.385 1.00 0.00 C ATOM 956 CE LYS A 59 6.143 10.737 -1.044 1.00 0.00 C ATOM 957 NZ LYS A 59 6.692 9.674 -0.163 1.00 0.00 N ATOM 0 H LYS A 59 7.535 8.057 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 59 9.083 10.492 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.867 8.750 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.573 10.333 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.863 11.431 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.323 9.939 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.748 10.696 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.434 9.132 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.907 11.496 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.311 11.229 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.423 10.079 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.927 9.276 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.111 8.922 -0.746 1.00 0.00 H new ATOM 971 N MET A 60 10.477 7.671 -4.029 1.00 0.00 N ATOM 972 CA MET A 60 11.791 7.049 -3.870 1.00 0.00 C ATOM 973 C MET A 60 12.693 7.404 -5.054 1.00 0.00 C ATOM 974 O MET A 60 13.889 7.634 -4.886 1.00 0.00 O ATOM 975 CB MET A 60 11.671 5.522 -3.760 1.00 0.00 C ATOM 976 CG MET A 60 13.006 4.814 -3.605 1.00 0.00 C ATOM 977 SD MET A 60 12.906 3.068 -4.034 1.00 0.00 S ATOM 978 CE MET A 60 11.580 2.556 -2.951 1.00 0.00 C ATOM 0 H MET A 60 9.710 7.009 -4.149 1.00 0.00 H new ATOM 0 HA MET A 60 12.231 7.432 -2.949 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.039 5.277 -2.907 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.169 5.141 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.748 5.300 -4.238 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.351 4.914 -2.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.729 1.516 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.574 3.185 -2.061 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.627 2.654 -3.471 1.00 0.00 H new ATOM 988 N GLU A 61 12.108 7.454 -6.251 1.00 0.00 N ATOM 989 CA GLU A 61 12.841 7.825 -7.461 1.00 0.00 C ATOM 990 C GLU A 61 13.317 9.265 -7.380 1.00 0.00 C ATOM 991 O GLU A 61 14.364 9.619 -7.921 1.00 0.00 O ATOM 992 CB GLU A 61 11.960 7.648 -8.698 1.00 0.00 C ATOM 993 CG GLU A 61 11.731 6.200 -9.090 1.00 0.00 C ATOM 994 CD GLU A 61 10.770 6.069 -10.249 1.00 0.00 C ATOM 995 OE1 GLU A 61 11.232 5.892 -11.397 1.00 0.00 O ATOM 996 OE2 GLU A 61 9.547 6.153 -10.024 1.00 0.00 O ATOM 0 H GLU A 61 11.123 7.241 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 61 13.707 7.169 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.995 8.121 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.419 8.173 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.684 5.742 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.342 5.650 -8.233 1.00 0.00 H new ATOM 1003 N ASN A 62 12.540 10.090 -6.694 1.00 0.00 N ATOM 1004 CA ASN A 62 12.897 11.490 -6.482 1.00 0.00 C ATOM 1005 C ASN A 62 13.837 11.607 -5.290 1.00 0.00 C ATOM 1006 O ASN A 62 14.280 12.699 -4.926 1.00 0.00 O ATOM 1007 CB ASN A 62 11.650 12.349 -6.253 1.00 0.00 C ATOM 1008 CG ASN A 62 10.869 12.639 -7.524 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.221 13.680 -7.641 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.925 11.734 -8.488 1.00 0.00 N ATOM 0 H ASN A 62 11.653 9.815 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 62 13.399 11.855 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.996 11.843 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.948 13.293 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.422 11.888 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.472 10.883 -8.357 1.00 0.00 H new ATOM 1017 N ARG A 63 14.122 10.452 -4.692 1.00 0.00 N ATOM 1018 CA ARG A 63 15.062 10.325 -3.588 1.00 0.00 C ATOM 1019 C ARG A 63 14.671 11.212 -2.416 1.00 0.00 C ATOM 1020 O ARG A 63 15.524 11.720 -1.693 1.00 0.00 O ATOM 1021 CB ARG A 63 16.477 10.640 -4.072 1.00 0.00 C ATOM 1022 CG ARG A 63 16.865 9.859 -5.315 1.00 0.00 C ATOM 1023 CD ARG A 63 17.013 8.371 -5.038 1.00 0.00 C ATOM 1024 NE ARG A 63 16.877 7.580 -6.262 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.901 7.175 -7.012 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.140 7.547 -6.716 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.680 6.410 -8.072 1.00 0.00 N ATOM 0 H ARG A 63 13.698 9.566 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 63 15.035 9.296 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.555 11.707 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.186 10.419 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.110 10.009 -6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.804 10.249 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.986 8.179 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.259 8.058 -4.316 1.00 0.00 H new ATOM 0 HE ARG A 63 15.936 7.322 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.313 8.147 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.919 7.233 -7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.728 6.133 -8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.462 6.098 -8.648 1.00 0.00 H new ATOM 1041 N ASP A 64 13.368 11.386 -2.235 1.00 0.00 N ATOM 1042 CA ASP A 64 12.839 12.132 -1.093 1.00 0.00 C ATOM 1043 C ASP A 64 13.116 11.383 0.201 1.00 0.00 C ATOM 1044 O ASP A 64 13.167 11.972 1.282 1.00 0.00 O ATOM 1045 CB ASP A 64 11.330 12.346 -1.236 1.00 0.00 C ATOM 1046 CG ASP A 64 10.978 13.482 -2.173 1.00 0.00 C ATOM 1047 OD1 ASP A 64 11.022 13.286 -3.402 1.00 0.00 O ATOM 1048 OD2 ASP A 64 10.635 14.577 -1.678 1.00 0.00 O ATOM 0 H ASP A 64 12.654 11.021 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 64 13.336 13.102 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.872 11.427 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.903 12.547 -0.254 1.00 0.00 H new ATOM 1053 N TYR A 65 13.305 10.082 0.068 1.00 0.00 N ATOM 1054 CA TYR A 65 13.515 9.205 1.208 1.00 0.00 C ATOM 1055 C TYR A 65 14.983 9.224 1.605 1.00 0.00 C ATOM 1056 O TYR A 65 15.862 9.321 0.748 1.00 0.00 O ATOM 1057 CB TYR A 65 13.106 7.765 0.862 1.00 0.00 C ATOM 1058 CG TYR A 65 11.658 7.577 0.439 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.015 6.362 0.634 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.941 8.599 -0.164 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.701 6.179 0.244 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.635 8.423 -0.553 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.018 7.215 -0.350 1.00 0.00 C ATOM 1064 OH TYR A 65 7.708 7.052 -0.739 1.00 0.00 O ATOM 0 H TYR A 65 13.317 9.603 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 65 12.902 9.561 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.750 7.407 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.297 7.134 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.550 5.546 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.419 9.553 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.214 5.229 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.095 9.235 -1.018 1.00 0.00 H new ATOM 0 HH TYR A 65 7.224 6.546 -0.054 1.00 0.00 H new ATOM 1074 N ARG A 66 15.244 9.155 2.897 1.00 0.00 N ATOM 1075 CA ARG A 66 16.607 9.065 3.392 1.00 0.00 C ATOM 1076 C ARG A 66 16.912 7.640 3.838 1.00 0.00 C ATOM 1077 O ARG A 66 18.045 7.170 3.726 1.00 0.00 O ATOM 1078 CB ARG A 66 16.810 10.030 4.564 1.00 0.00 C ATOM 1079 CG ARG A 66 18.198 9.974 5.192 1.00 0.00 C ATOM 1080 CD ARG A 66 18.269 10.832 6.437 1.00 0.00 C ATOM 1081 NE ARG A 66 17.425 10.294 7.501 1.00 0.00 N ATOM 1082 CZ ARG A 66 16.924 11.022 8.496 1.00 0.00 C ATOM 1083 NH1 ARG A 66 17.182 12.319 8.567 1.00 0.00 N ATOM 1084 NH2 ARG A 66 16.160 10.452 9.421 1.00 0.00 N ATOM 0 H ARG A 66 14.529 9.159 3.625 1.00 0.00 H new ATOM 0 HA ARG A 66 17.288 9.338 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.621 11.047 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.068 9.811 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.445 8.943 5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.941 10.313 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.301 10.890 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.955 11.848 6.199 1.00 0.00 H new ATOM 0 HE ARG A 66 17.206 9.298 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.766 12.762 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.797 12.875 9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.956 9.454 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.777 11.012 10.183 1.00 0.00 H new ATOM 1098 N ASP A 67 15.892 6.948 4.332 1.00 0.00 N ATOM 1099 CA ASP A 67 16.076 5.619 4.888 1.00 0.00 C ATOM 1100 C ASP A 67 14.900 4.738 4.520 1.00 0.00 C ATOM 1101 O ASP A 67 13.851 5.227 4.090 1.00 0.00 O ATOM 1102 CB ASP A 67 16.214 5.679 6.415 1.00 0.00 C ATOM 1103 CG ASP A 67 17.517 6.296 6.872 1.00 0.00 C ATOM 1104 OD1 ASP A 67 17.550 7.521 7.118 1.00 0.00 O ATOM 1105 OD2 ASP A 67 18.510 5.556 7.005 1.00 0.00 O ATOM 0 H ASP A 67 14.931 7.288 4.357 1.00 0.00 H new ATOM 0 HA ASP A 67 16.992 5.199 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.384 6.253 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.135 4.670 6.820 1.00 0.00 H new ATOM 1110 N ALA A 68 15.067 3.440 4.709 1.00 0.00 N ATOM 1111 CA ALA A 68 14.027 2.483 4.375 1.00 0.00 C ATOM 1112 C ALA A 68 12.897 2.559 5.382 1.00 0.00 C ATOM 1113 O ALA A 68 11.800 2.069 5.137 1.00 0.00 O ATOM 1114 CB ALA A 68 14.588 1.078 4.330 1.00 0.00 C ATOM 0 H ALA A 68 15.916 3.024 5.093 1.00 0.00 H new ATOM 0 HA ALA A 68 13.638 2.733 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.793 0.377 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.372 1.023 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.004 0.821 5.304 1.00 0.00 H new ATOM 1120 N GLN A 69 13.175 3.186 6.513 1.00 0.00 N ATOM 1121 CA GLN A 69 12.167 3.372 7.538 1.00 0.00 C ATOM 1122 C GLN A 69 11.193 4.457 7.098 1.00 0.00 C ATOM 1123 O GLN A 69 10.034 4.482 7.509 1.00 0.00 O ATOM 1124 CB GLN A 69 12.804 3.738 8.878 1.00 0.00 C ATOM 1125 CG GLN A 69 11.802 3.748 10.014 1.00 0.00 C ATOM 1126 CD GLN A 69 11.273 2.366 10.347 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.285 1.916 9.770 1.00 0.00 O ATOM 1128 NE2 GLN A 69 11.912 1.695 11.289 1.00 0.00 N ATOM 0 H GLN A 69 14.090 3.574 6.742 1.00 0.00 H new ATOM 0 HA GLN A 69 11.629 2.434 7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.598 3.027 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.269 4.721 8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.270 4.176 10.901 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.967 4.397 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.728 2.105 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.589 0.767 11.562 1.00 0.00 H new ATOM 1137 N GLU A 70 11.675 5.357 6.249 1.00 0.00 N ATOM 1138 CA GLU A 70 10.823 6.362 5.646 1.00 0.00 C ATOM 1139 C GLU A 70 9.999 5.725 4.541 1.00 0.00 C ATOM 1140 O GLU A 70 8.868 6.129 4.279 1.00 0.00 O ATOM 1141 CB GLU A 70 11.645 7.526 5.099 1.00 0.00 C ATOM 1142 CG GLU A 70 12.275 8.378 6.180 1.00 0.00 C ATOM 1143 CD GLU A 70 12.684 9.735 5.662 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.687 9.814 4.937 1.00 0.00 O ATOM 1145 OE2 GLU A 70 11.986 10.727 5.964 1.00 0.00 O ATOM 0 H GLU A 70 12.653 5.407 5.965 1.00 0.00 H new ATOM 0 HA GLU A 70 10.157 6.762 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.430 7.134 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.005 8.154 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.570 8.501 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.148 7.865 6.583 1.00 0.00 H new ATOM 1152 N PHE A 71 10.580 4.723 3.897 1.00 0.00 N ATOM 1153 CA PHE A 71 9.845 3.903 2.946 1.00 0.00 C ATOM 1154 C PHE A 71 8.755 3.128 3.671 1.00 0.00 C ATOM 1155 O PHE A 71 7.592 3.169 3.275 1.00 0.00 O ATOM 1156 CB PHE A 71 10.789 2.943 2.208 1.00 0.00 C ATOM 1157 CG PHE A 71 10.103 1.712 1.670 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.479 1.736 0.438 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.088 0.531 2.399 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.850 0.609 -0.060 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.460 -0.594 1.910 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.841 -0.557 0.677 1.00 0.00 C ATOM 0 H PHE A 71 11.558 4.459 4.016 1.00 0.00 H new ATOM 0 HA PHE A 71 9.384 4.555 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.261 3.475 1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.585 2.637 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.482 2.646 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.575 0.493 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.366 0.642 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.452 -1.504 2.491 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.351 -1.438 0.290 1.00 0.00 H new ATOM 1172 N ALA A 72 9.145 2.430 4.739 1.00 0.00 N ATOM 1173 CA ALA A 72 8.213 1.670 5.553 1.00 0.00 C ATOM 1174 C ALA A 72 7.092 2.566 6.057 1.00 0.00 C ATOM 1175 O ALA A 72 5.940 2.152 6.134 1.00 0.00 O ATOM 1176 CB ALA A 72 8.945 1.008 6.714 1.00 0.00 C ATOM 0 H ALA A 72 10.113 2.380 5.058 1.00 0.00 H new ATOM 0 HA ALA A 72 7.768 0.887 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.235 0.441 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.710 0.335 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.415 1.773 7.332 1.00 0.00 H new ATOM 1182 N ALA A 73 7.442 3.801 6.377 1.00 0.00 N ATOM 1183 CA ALA A 73 6.471 4.798 6.793 1.00 0.00 C ATOM 1184 C ALA A 73 5.402 5.004 5.716 1.00 0.00 C ATOM 1185 O ALA A 73 4.206 5.016 6.014 1.00 0.00 O ATOM 1186 CB ALA A 73 7.185 6.103 7.101 1.00 0.00 C ATOM 0 H ALA A 73 8.404 4.139 6.356 1.00 0.00 H new ATOM 0 HA ALA A 73 5.967 4.447 7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.457 6.851 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.907 5.943 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.705 6.453 6.209 1.00 0.00 H new ATOM 1192 N ASP A 74 5.840 5.138 4.470 1.00 0.00 N ATOM 1193 CA ASP A 74 4.943 5.383 3.350 1.00 0.00 C ATOM 1194 C ASP A 74 4.125 4.142 2.990 1.00 0.00 C ATOM 1195 O ASP A 74 2.896 4.197 2.915 1.00 0.00 O ATOM 1196 CB ASP A 74 5.756 5.835 2.140 1.00 0.00 C ATOM 1197 CG ASP A 74 5.836 7.344 1.999 1.00 0.00 C ATOM 1198 OD1 ASP A 74 6.597 7.978 2.754 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.157 7.902 1.111 1.00 0.00 O ATOM 0 H ASP A 74 6.824 5.080 4.209 1.00 0.00 H new ATOM 0 HA ASP A 74 4.242 6.164 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.765 5.430 2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.313 5.416 1.237 1.00 0.00 H new ATOM 1204 N VAL A 75 4.806 3.021 2.772 1.00 0.00 N ATOM 1205 CA VAL A 75 4.142 1.788 2.342 1.00 0.00 C ATOM 1206 C VAL A 75 3.188 1.264 3.417 1.00 0.00 C ATOM 1207 O VAL A 75 2.099 0.779 3.109 1.00 0.00 O ATOM 1208 CB VAL A 75 5.163 0.689 1.947 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.185 0.468 3.044 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.468 -0.622 1.605 1.00 0.00 C ATOM 0 H VAL A 75 5.816 2.938 2.885 1.00 0.00 H new ATOM 0 HA VAL A 75 3.559 2.038 1.456 1.00 0.00 H new ATOM 0 HB VAL A 75 5.683 1.041 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.886 -0.308 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.728 1.395 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.677 0.157 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.214 -1.369 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.903 -0.971 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.789 -0.466 0.767 1.00 0.00 H new ATOM 1220 N ARG A 76 3.577 1.398 4.678 1.00 0.00 N ATOM 1221 CA ARG A 76 2.724 0.919 5.774 1.00 0.00 C ATOM 1222 C ARG A 76 1.523 1.851 5.948 1.00 0.00 C ATOM 1223 O ARG A 76 0.444 1.417 6.347 1.00 0.00 O ATOM 1224 CB ARG A 76 3.512 0.755 7.095 1.00 0.00 C ATOM 1225 CG ARG A 76 2.672 0.896 8.356 1.00 0.00 C ATOM 1226 CD ARG A 76 3.514 0.677 9.603 1.00 0.00 C ATOM 1227 NE ARG A 76 2.723 0.757 10.829 1.00 0.00 N ATOM 1228 CZ ARG A 76 3.248 0.859 12.047 1.00 0.00 C ATOM 1229 NH1 ARG A 76 4.564 0.919 12.208 1.00 0.00 N ATOM 1230 NH2 ARG A 76 2.457 0.903 13.109 1.00 0.00 N ATOM 0 H ARG A 76 4.457 1.824 4.971 1.00 0.00 H new ATOM 0 HA ARG A 76 2.359 -0.073 5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.988 -0.226 7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.310 1.497 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.222 1.888 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.855 0.175 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.995 -0.300 9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.309 1.422 9.637 1.00 0.00 H new ATOM 0 HE ARG A 76 1.707 0.733 10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.179 0.887 11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.960 0.997 13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.445 0.859 12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.860 0.981 14.043 1.00 0.00 H new ATOM 1244 N LEU A 77 1.709 3.129 5.623 1.00 0.00 N ATOM 1245 CA LEU A 77 0.614 4.090 5.614 1.00 0.00 C ATOM 1246 C LEU A 77 -0.468 3.670 4.630 1.00 0.00 C ATOM 1247 O LEU A 77 -1.662 3.878 4.863 1.00 0.00 O ATOM 1248 CB LEU A 77 1.132 5.473 5.235 1.00 0.00 C ATOM 1249 CG LEU A 77 1.206 6.469 6.379 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.655 7.818 5.864 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.139 6.566 7.070 1.00 0.00 C ATOM 0 H LEU A 77 2.613 3.522 5.362 1.00 0.00 H new ATOM 0 HA LEU A 77 0.186 4.122 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.127 5.365 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.489 5.884 4.457 1.00 0.00 H new ATOM 0 HG LEU A 77 1.938 6.125 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.705 8.525 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.640 7.724 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.944 8.179 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.076 7.283 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.892 6.897 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.417 5.588 7.464 1.00 0.00 H new ATOM 1263 N MET A 78 -0.030 3.103 3.523 1.00 0.00 N ATOM 1264 CA MET A 78 -0.932 2.571 2.511 1.00 0.00 C ATOM 1265 C MET A 78 -1.765 1.416 3.066 1.00 0.00 C ATOM 1266 O MET A 78 -2.995 1.442 2.985 1.00 0.00 O ATOM 1267 CB MET A 78 -0.141 2.143 1.272 1.00 0.00 C ATOM 1268 CG MET A 78 -0.959 1.363 0.257 1.00 0.00 C ATOM 1269 SD MET A 78 -0.712 -0.412 0.405 1.00 0.00 S ATOM 1270 CE MET A 78 0.988 -0.557 -0.142 1.00 0.00 C ATOM 0 H MET A 78 0.959 2.996 3.297 1.00 0.00 H new ATOM 0 HA MET A 78 -1.627 3.358 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.267 3.031 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.706 1.533 1.587 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.016 1.593 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.688 1.683 -0.749 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.064 -1.348 -0.888 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.311 0.387 -0.580 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.625 -0.799 0.709 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.107 0.417 3.641 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.826 -0.692 4.269 1.00 0.00 C ATOM 1282 C PHE A 79 -2.745 -0.173 5.383 1.00 0.00 C ATOM 1283 O PHE A 79 -3.885 -0.627 5.538 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.856 -1.738 4.826 1.00 0.00 C ATOM 1285 CG PHE A 79 0.017 -2.380 3.781 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.535 -2.972 2.656 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.391 -2.393 3.930 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.271 -3.562 1.698 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.202 -2.982 2.981 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.647 -3.567 1.862 1.00 0.00 C ATOM 0 H PHE A 79 -0.090 0.348 3.687 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.436 -1.171 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.221 -1.267 5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.428 -2.514 5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.607 -2.973 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.836 -1.936 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.172 -4.018 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.274 -2.985 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.281 -4.026 1.118 1.00 0.00 H new ATOM 1300 N SER A 80 -2.242 0.805 6.132 1.00 0.00 N ATOM 1301 CA SER A 80 -2.979 1.408 7.236 1.00 0.00 C ATOM 1302 C SER A 80 -4.286 2.045 6.760 1.00 0.00 C ATOM 1303 O SER A 80 -5.359 1.756 7.302 1.00 0.00 O ATOM 1304 CB SER A 80 -2.102 2.459 7.934 1.00 0.00 C ATOM 1305 OG SER A 80 -2.747 3.001 9.075 1.00 0.00 O ATOM 0 H SER A 80 -1.313 1.201 5.990 1.00 0.00 H new ATOM 0 HA SER A 80 -3.234 0.618 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.156 2.006 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.866 3.260 7.234 1.00 0.00 H new ATOM 0 HG SER A 80 -2.162 3.665 9.497 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.209 2.898 5.735 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.390 3.632 5.291 1.00 0.00 C ATOM 1313 C ASN A 81 -6.440 2.679 4.714 1.00 0.00 C ATOM 1314 O ASN A 81 -7.638 2.944 4.802 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.042 4.757 4.291 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.741 4.281 2.882 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.646 4.015 2.098 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.469 4.232 2.533 1.00 0.00 N ATOM 0 H ASN A 81 -3.358 3.093 5.208 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.815 4.117 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.874 5.461 4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.178 5.305 4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.211 3.966 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.744 4.460 3.213 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.995 1.549 4.169 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.937 0.545 3.655 1.00 0.00 C ATOM 1327 C CYS A 82 -7.789 -0.017 4.790 1.00 0.00 C ATOM 1328 O CYS A 82 -9.006 -0.167 4.640 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.238 -0.609 2.912 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.341 -1.978 2.490 1.00 0.00 S ATOM 0 H CYS A 82 -5.010 1.304 4.071 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.572 1.058 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.789 -0.221 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.424 -0.987 3.531 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.638 -2.990 2.076 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.156 -0.308 5.933 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.895 -0.816 7.089 1.00 0.00 C ATOM 1338 C TYR A 83 -8.844 0.244 7.632 1.00 0.00 C ATOM 1339 O TYR A 83 -9.839 -0.075 8.288 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.969 -1.234 8.234 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.038 -2.397 7.946 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.480 -3.524 7.261 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.720 -2.382 8.403 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.636 -4.598 7.039 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.878 -3.449 8.178 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.338 -4.552 7.502 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.495 -5.617 7.291 1.00 0.00 O ATOM 0 H TYR A 83 -6.152 -0.202 6.079 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.446 -1.687 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.365 -0.373 8.519 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.584 -1.492 9.096 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.496 -3.561 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.354 -1.520 8.942 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.992 -5.467 6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.858 -3.418 8.533 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.617 -5.421 7.680 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.522 1.504 7.378 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.334 2.605 7.872 1.00 0.00 C ATOM 1359 C LYS A 84 -10.623 2.747 7.076 1.00 0.00 C ATOM 1360 O LYS A 84 -11.702 2.897 7.650 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.559 3.917 7.825 1.00 0.00 C ATOM 1362 CG LYS A 84 -9.342 5.081 8.395 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.492 6.326 8.518 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.362 7.548 8.723 1.00 0.00 C ATOM 1365 NZ LYS A 84 -10.313 7.379 9.856 1.00 0.00 N ATOM 0 H LYS A 84 -7.707 1.788 6.835 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.588 2.377 8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.628 3.804 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.289 4.138 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.200 5.289 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.733 4.810 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.802 6.220 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.887 6.450 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.729 8.415 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.921 7.751 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.716 8.303 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.079 6.734 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.810 6.981 10.675 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.508 2.712 5.755 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.667 2.905 4.900 1.00 0.00 C ATOM 1381 C TYR A 85 -12.547 1.663 4.884 1.00 0.00 C ATOM 1382 O TYR A 85 -13.748 1.729 5.148 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.252 3.239 3.467 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.442 3.481 2.565 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -13.110 4.693 2.625 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.912 2.514 1.677 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.211 4.946 1.834 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -14.012 2.760 0.880 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.657 3.978 0.963 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.759 4.227 0.182 1.00 0.00 O ATOM 0 H TYR A 85 -9.632 2.553 5.258 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.230 3.742 5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.617 4.125 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.654 2.421 3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.761 5.456 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.409 1.560 1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.720 5.897 1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.366 2.004 0.195 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.553 3.833 0.601 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.938 0.529 4.581 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.683 -0.698 4.365 1.00 0.00 C ATOM 1402 C ASN A 86 -12.881 -1.445 5.671 1.00 0.00 C ATOM 1403 O ASN A 86 -11.928 -1.666 6.419 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.953 -1.599 3.363 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.730 -0.930 2.023 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.566 -1.021 1.123 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.589 -0.272 1.876 1.00 0.00 N ATOM 0 H ASN A 86 -10.928 0.433 4.479 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.659 -0.431 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.990 -1.894 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.530 -2.512 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.374 0.185 0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.926 -0.223 2.649 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.126 -1.834 5.970 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.424 -2.664 7.134 1.00 0.00 C ATOM 1416 C PRO A 87 -13.775 -4.038 6.997 1.00 0.00 C ATOM 1417 O PRO A 87 -13.563 -4.524 5.884 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.953 -2.777 7.128 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.374 -2.435 5.741 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.337 -1.490 5.204 1.00 0.00 C ATOM 0 HA PRO A 87 -14.041 -2.241 8.062 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.273 -3.783 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.399 -2.096 7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.440 -3.331 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.361 -1.972 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.186 -1.626 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.625 -0.450 5.355 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.445 -4.668 8.144 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.698 -5.937 8.208 1.00 0.00 C ATOM 1430 C PRO A 88 -13.303 -7.046 7.354 1.00 0.00 C ATOM 1431 O PRO A 88 -12.621 -8.011 7.002 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.755 -6.328 9.692 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.783 -5.436 10.303 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.770 -4.178 9.490 1.00 0.00 C ATOM 0 HA PRO A 88 -11.688 -5.807 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.026 -7.377 9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.785 -6.193 10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.767 -5.904 10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.549 -5.229 11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.734 -3.670 9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.027 -3.469 9.853 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.577 -6.912 7.034 1.00 0.00 N ATOM 1443 CA ASP A 89 -15.245 -7.859 6.148 1.00 0.00 C ATOM 1444 C ASP A 89 -15.199 -7.341 4.716 1.00 0.00 C ATOM 1445 O ASP A 89 -16.215 -6.921 4.158 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.704 -8.103 6.570 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.829 -8.555 8.011 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.564 -9.744 8.291 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -17.196 -7.723 8.870 1.00 0.00 O ATOM 0 H ASP A 89 -15.174 -6.157 7.373 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.718 -8.811 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -17.276 -7.186 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -17.145 -8.857 5.918 1.00 0.00 H new ATOM 1454 N HIS A 90 -14.008 -7.353 4.128 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.826 -6.855 2.772 1.00 0.00 C ATOM 1456 C HIS A 90 -12.580 -7.479 2.141 1.00 0.00 C ATOM 1457 O HIS A 90 -11.725 -8.011 2.846 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.695 -5.326 2.774 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.320 -4.660 1.577 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.623 -4.418 0.415 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.579 -4.188 1.356 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.414 -3.835 -0.460 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.604 -3.683 0.082 1.00 0.00 N ATOM 0 H HIS A 90 -13.157 -7.701 4.569 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.701 -7.133 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.157 -4.932 3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.638 -5.061 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.403 -4.208 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.133 -3.531 -1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.413 -3.259 -0.372 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.476 -7.409 0.822 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.327 -7.972 0.111 1.00 0.00 C ATOM 1474 C ASP A 91 -10.040 -7.193 0.378 1.00 0.00 C ATOM 1475 O ASP A 91 -9.001 -7.784 0.669 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.589 -8.003 -1.398 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.575 -9.075 -1.806 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -13.794 -8.874 -1.621 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.139 -10.126 -2.320 1.00 0.00 O ATOM 0 H ASP A 91 -13.171 -6.969 0.219 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.195 -8.986 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.966 -7.031 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.647 -8.166 -1.921 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.115 -5.867 0.296 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.917 -5.027 0.340 1.00 0.00 C ATOM 1486 C VAL A 92 -8.198 -5.140 1.678 1.00 0.00 C ATOM 1487 O VAL A 92 -6.983 -4.984 1.742 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.216 -3.540 0.041 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.240 -3.001 -0.992 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.643 -3.345 -0.433 1.00 0.00 C ATOM 0 H VAL A 92 -10.989 -5.350 0.199 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.267 -5.405 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.093 -2.983 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.464 -1.953 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.222 -3.089 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.333 -3.574 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.818 -2.288 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.805 -3.920 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.333 -3.687 0.339 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.937 -5.431 2.740 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.329 -5.564 4.058 1.00 0.00 C ATOM 1502 C VAL A 93 -7.592 -6.893 4.178 1.00 0.00 C ATOM 1503 O VAL A 93 -6.551 -6.980 4.828 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.368 -5.432 5.195 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.090 -4.102 5.095 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.368 -6.573 5.169 1.00 0.00 C ATOM 0 H VAL A 93 -9.946 -5.578 2.717 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.616 -4.746 4.164 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.832 -5.478 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.819 -4.022 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.368 -3.289 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.603 -4.038 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.083 -6.448 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.897 -6.571 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.842 -7.520 5.290 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.127 -7.920 3.527 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.495 -9.229 3.513 1.00 0.00 C ATOM 1518 C ALA A 94 -6.237 -9.191 2.656 1.00 0.00 C ATOM 1519 O ALA A 94 -5.195 -9.727 3.037 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.469 -10.284 3.005 1.00 0.00 C ATOM 0 H ALA A 94 -9.000 -7.868 3.001 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.210 -9.496 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.980 -11.258 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.341 -10.318 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.783 -10.031 1.992 1.00 0.00 H new ATOM 1526 N MET A 95 -6.333 -8.524 1.510 1.00 0.00 N ATOM 1527 CA MET A 95 -5.188 -8.366 0.622 1.00 0.00 C ATOM 1528 C MET A 95 -4.119 -7.493 1.278 1.00 0.00 C ATOM 1529 O MET A 95 -2.926 -7.774 1.161 1.00 0.00 O ATOM 1530 CB MET A 95 -5.616 -7.771 -0.730 1.00 0.00 C ATOM 1531 CG MET A 95 -6.514 -8.693 -1.557 1.00 0.00 C ATOM 1532 SD MET A 95 -6.796 -8.081 -3.234 1.00 0.00 S ATOM 1533 CE MET A 95 -8.273 -7.092 -3.024 1.00 0.00 C ATOM 0 H MET A 95 -7.191 -8.085 1.175 1.00 0.00 H new ATOM 0 HA MET A 95 -4.765 -9.353 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.141 -6.832 -0.553 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.724 -7.533 -1.310 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.061 -9.683 -1.608 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.473 -8.807 -1.051 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.101 -7.557 -3.559 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.518 -7.024 -1.964 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.101 -6.092 -3.421 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.551 -6.456 2.001 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.620 -5.574 2.703 1.00 0.00 C ATOM 1545 C ALA A 96 -2.915 -6.331 3.820 1.00 0.00 C ATOM 1546 O ALA A 96 -1.765 -6.054 4.140 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.342 -4.360 3.273 1.00 0.00 C ATOM 0 H ALA A 96 -5.534 -6.209 2.114 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.878 -5.226 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.626 -3.721 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.809 -3.801 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.108 -4.689 3.975 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.615 -7.294 4.405 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.071 -8.074 5.508 1.00 0.00 C ATOM 1555 C ARG A 97 -2.035 -9.075 5.009 1.00 0.00 C ATOM 1556 O ARG A 97 -0.976 -9.242 5.609 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.193 -8.812 6.234 1.00 0.00 C ATOM 1558 CG ARG A 97 -3.754 -9.443 7.544 1.00 0.00 C ATOM 1559 CD ARG A 97 -4.836 -10.344 8.107 1.00 0.00 C ATOM 1560 NE ARG A 97 -5.101 -11.486 7.234 1.00 0.00 N ATOM 1561 CZ ARG A 97 -6.318 -11.926 6.920 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.397 -11.307 7.387 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -6.455 -12.984 6.132 1.00 0.00 N ATOM 0 H ARG A 97 -4.563 -7.554 4.133 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.584 -7.387 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.008 -8.115 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.589 -9.589 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.843 -10.020 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.516 -8.662 8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.535 -10.702 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.753 -9.770 8.243 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.300 -11.979 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.296 -10.490 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.327 -11.649 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.629 -13.459 5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.386 -13.323 5.890 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.349 -9.730 3.904 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.486 -10.760 3.345 1.00 0.00 C ATOM 1579 C LYS A 98 -0.211 -10.136 2.762 1.00 0.00 C ATOM 1580 O LYS A 98 0.898 -10.659 2.939 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.269 -11.541 2.287 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.571 -12.789 1.775 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.427 -13.508 0.749 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.783 -14.805 0.306 1.00 0.00 C ATOM 1585 NZ LYS A 98 -2.672 -15.591 -0.592 1.00 0.00 N ATOM 0 H LYS A 98 -3.203 -9.565 3.371 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.174 -11.449 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.234 -11.827 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.470 -10.881 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.614 -12.518 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.357 -13.458 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.410 -13.714 1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.581 -12.862 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.848 -14.588 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.532 -15.403 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.193 -16.471 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.554 -15.821 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.891 -15.031 -1.441 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.369 -9.010 2.075 1.00 0.00 N ATOM 1600 CA LEU A 99 0.773 -8.236 1.605 1.00 0.00 C ATOM 1601 C LEU A 99 1.548 -7.632 2.776 1.00 0.00 C ATOM 1602 O LEU A 99 2.754 -7.407 2.678 1.00 0.00 O ATOM 1603 CB LEU A 99 0.345 -7.122 0.649 1.00 0.00 C ATOM 1604 CG LEU A 99 0.377 -7.436 -0.855 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.932 -6.246 -1.600 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.228 -8.650 -1.176 1.00 0.00 C ATOM 0 H LEU A 99 -1.277 -8.613 1.831 1.00 0.00 H new ATOM 0 HA LEU A 99 1.421 -8.926 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.670 -6.824 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.986 -6.259 0.828 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.646 -7.653 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.957 -6.464 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.298 -5.377 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.942 -6.036 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.217 -8.828 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.252 -8.473 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.827 -9.522 -0.660 1.00 0.00 H new ATOM 1618 N GLN A 100 0.858 -7.364 3.878 1.00 0.00 N ATOM 1619 CA GLN A 100 1.524 -6.913 5.095 1.00 0.00 C ATOM 1620 C GLN A 100 2.489 -7.991 5.565 1.00 0.00 C ATOM 1621 O GLN A 100 3.614 -7.699 5.963 1.00 0.00 O ATOM 1622 CB GLN A 100 0.496 -6.617 6.195 1.00 0.00 C ATOM 1623 CG GLN A 100 1.095 -6.113 7.503 1.00 0.00 C ATOM 1624 CD GLN A 100 1.660 -4.708 7.412 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.154 -4.281 6.371 1.00 0.00 O ATOM 1626 NE2 GLN A 100 1.586 -3.975 8.511 1.00 0.00 N ATOM 0 H GLN A 100 -0.155 -7.450 3.955 1.00 0.00 H new ATOM 0 HA GLN A 100 2.072 -5.995 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.210 -5.874 5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.073 -7.525 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.328 -6.138 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.886 -6.794 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.169 -4.364 9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.946 -3.021 8.513 1.00 0.00 H new ATOM 1635 N ASP A 101 2.040 -9.243 5.488 1.00 0.00 N ATOM 1636 CA ASP A 101 2.857 -10.382 5.890 1.00 0.00 C ATOM 1637 C ASP A 101 4.177 -10.399 5.134 1.00 0.00 C ATOM 1638 O ASP A 101 5.244 -10.484 5.743 1.00 0.00 O ATOM 1639 CB ASP A 101 2.123 -11.707 5.654 1.00 0.00 C ATOM 1640 CG ASP A 101 0.851 -11.846 6.465 1.00 0.00 C ATOM 1641 OD1 ASP A 101 0.885 -11.606 7.691 1.00 0.00 O ATOM 1642 OD2 ASP A 101 -0.187 -12.224 5.884 1.00 0.00 O ATOM 0 H ASP A 101 1.111 -9.493 5.149 1.00 0.00 H new ATOM 0 HA ASP A 101 3.054 -10.273 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.881 -11.795 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.792 -12.532 5.898 1.00 0.00 H new ATOM 1647 N VAL A 102 4.110 -10.314 3.805 1.00 0.00 N ATOM 1648 CA VAL A 102 5.327 -10.318 2.990 1.00 0.00 C ATOM 1649 C VAL A 102 6.177 -9.074 3.248 1.00 0.00 C ATOM 1650 O VAL A 102 7.349 -9.189 3.604 1.00 0.00 O ATOM 1651 CB VAL A 102 5.038 -10.468 1.471 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.900 -9.586 1.029 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.273 -10.167 0.634 1.00 0.00 C ATOM 0 H VAL A 102 3.241 -10.243 3.276 1.00 0.00 H new ATOM 0 HA VAL A 102 5.891 -11.198 3.299 1.00 0.00 H new ATOM 0 HB VAL A 102 4.752 -11.508 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.729 -9.720 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.997 -9.855 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.149 -8.544 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.033 -10.282 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.600 -9.144 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.072 -10.859 0.902 1.00 0.00 H new ATOM 1663 N PHE A 103 5.582 -7.895 3.091 1.00 0.00 N ATOM 1664 CA PHE A 103 6.302 -6.635 3.293 1.00 0.00 C ATOM 1665 C PHE A 103 6.972 -6.578 4.673 1.00 0.00 C ATOM 1666 O PHE A 103 8.141 -6.196 4.783 1.00 0.00 O ATOM 1667 CB PHE A 103 5.370 -5.425 3.076 1.00 0.00 C ATOM 1668 CG PHE A 103 5.782 -4.186 3.846 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.024 -3.608 3.625 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.943 -3.609 4.802 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.425 -2.494 4.337 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.343 -2.493 5.508 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.585 -1.938 5.280 1.00 0.00 C ATOM 0 H PHE A 103 4.604 -7.783 2.825 1.00 0.00 H new ATOM 0 HA PHE A 103 7.095 -6.589 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.341 -5.187 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.357 -5.702 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.686 -4.035 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.971 -4.041 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.396 -2.058 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.682 -2.053 6.241 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.900 -1.069 5.839 1.00 0.00 H new ATOM 1683 N GLU A 104 6.260 -6.994 5.716 1.00 0.00 N ATOM 1684 CA GLU A 104 6.793 -6.883 7.071 1.00 0.00 C ATOM 1685 C GLU A 104 7.925 -7.882 7.274 1.00 0.00 C ATOM 1686 O GLU A 104 8.885 -7.604 7.992 1.00 0.00 O ATOM 1687 CB GLU A 104 5.702 -7.083 8.137 1.00 0.00 C ATOM 1688 CG GLU A 104 5.432 -8.532 8.524 1.00 0.00 C ATOM 1689 CD GLU A 104 4.457 -8.644 9.672 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.880 -8.459 10.832 1.00 0.00 O ATOM 1691 OE2 GLU A 104 3.264 -8.918 9.425 1.00 0.00 O ATOM 0 H GLU A 104 5.328 -7.404 5.653 1.00 0.00 H new ATOM 0 HA GLU A 104 7.182 -5.872 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.986 -6.531 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.774 -6.642 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.038 -9.069 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.370 -9.014 8.798 1.00 0.00 H new ATOM 1698 N PHE A 105 7.811 -9.030 6.618 1.00 0.00 N ATOM 1699 CA PHE A 105 8.833 -10.061 6.687 1.00 0.00 C ATOM 1700 C PHE A 105 10.091 -9.604 5.962 1.00 0.00 C ATOM 1701 O PHE A 105 11.211 -9.855 6.414 1.00 0.00 O ATOM 1702 CB PHE A 105 8.303 -11.362 6.077 1.00 0.00 C ATOM 1703 CG PHE A 105 9.321 -12.463 6.000 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.755 -12.935 4.772 1.00 0.00 C ATOM 1705 CD2 PHE A 105 9.840 -13.025 7.153 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.689 -13.948 4.697 1.00 0.00 C ATOM 1707 CE2 PHE A 105 10.775 -14.039 7.083 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.199 -14.501 5.854 1.00 0.00 C ATOM 0 H PHE A 105 7.014 -9.269 6.028 1.00 0.00 H new ATOM 0 HA PHE A 105 9.085 -10.242 7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.454 -11.708 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.931 -11.155 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.358 -12.506 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.511 -12.667 8.117 1.00 0.00 H new ATOM 0 HE1 PHE A 105 11.020 -14.308 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.174 -14.470 7.989 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.929 -15.295 5.797 1.00 0.00 H new ATOM 1718 N ARG A 106 9.897 -8.911 4.849 1.00 0.00 N ATOM 1719 CA ARG A 106 11.005 -8.403 4.065 1.00 0.00 C ATOM 1720 C ARG A 106 11.778 -7.364 4.859 1.00 0.00 C ATOM 1721 O ARG A 106 13.007 -7.403 4.916 1.00 0.00 O ATOM 1722 CB ARG A 106 10.502 -7.788 2.756 1.00 0.00 C ATOM 1723 CG ARG A 106 9.769 -8.759 1.845 1.00 0.00 C ATOM 1724 CD ARG A 106 10.610 -9.977 1.508 1.00 0.00 C ATOM 1725 NE ARG A 106 9.890 -10.893 0.634 1.00 0.00 N ATOM 1726 CZ ARG A 106 10.027 -12.212 0.637 1.00 0.00 C ATOM 1727 NH1 ARG A 106 10.853 -12.802 1.491 1.00 0.00 N ATOM 1728 NH2 ARG A 106 9.339 -12.936 -0.231 1.00 0.00 N ATOM 0 H ARG A 106 8.976 -8.689 4.470 1.00 0.00 H new ATOM 0 HA ARG A 106 11.667 -9.236 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.837 -6.957 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.352 -7.372 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.845 -9.080 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.487 -8.248 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.534 -9.661 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.891 -10.493 2.426 1.00 0.00 H new ATOM 0 HE ARG A 106 9.230 -10.489 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.389 -12.240 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.952 -13.817 1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.712 -12.479 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.436 -13.951 -0.238 1.00 0.00 H new ATOM 1742 N TYR A 107 11.051 -6.448 5.488 1.00 0.00 N ATOM 1743 CA TYR A 107 11.682 -5.405 6.288 1.00 0.00 C ATOM 1744 C TYR A 107 12.316 -6.012 7.543 1.00 0.00 C ATOM 1745 O TYR A 107 13.322 -5.517 8.044 1.00 0.00 O ATOM 1746 CB TYR A 107 10.674 -4.310 6.676 1.00 0.00 C ATOM 1747 CG TYR A 107 11.329 -3.056 7.226 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.628 -1.983 6.394 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.664 -2.952 8.571 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.244 -0.847 6.887 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.275 -1.816 9.071 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.565 -0.769 8.224 1.00 0.00 C ATOM 1753 OH TYR A 107 13.188 0.357 8.715 1.00 0.00 O ATOM 0 H TYR A 107 10.032 -6.406 5.460 1.00 0.00 H new ATOM 0 HA TYR A 107 12.462 -4.943 5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.080 -4.047 5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.985 -4.708 7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.375 -2.037 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.443 -3.773 9.238 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.472 -0.024 6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.523 -1.750 10.120 1.00 0.00 H new ATOM 0 HH TYR A 107 13.343 0.252 9.677 1.00 0.00 H new ATOM 1763 N ALA A 108 11.730 -7.104 8.029 1.00 0.00 N ATOM 1764 CA ALA A 108 12.216 -7.771 9.236 1.00 0.00 C ATOM 1765 C ALA A 108 13.574 -8.424 9.007 1.00 0.00 C ATOM 1766 O ALA A 108 14.397 -8.503 9.919 1.00 0.00 O ATOM 1767 CB ALA A 108 11.210 -8.809 9.705 1.00 0.00 C ATOM 0 H ALA A 108 10.915 -7.547 7.604 1.00 0.00 H new ATOM 0 HA ALA A 108 12.336 -7.012 10.009 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.584 -9.298 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.260 -8.322 9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.063 -9.553 8.922 1.00 0.00 H new ATOM 1773 N LYS A 109 13.804 -8.901 7.791 1.00 0.00 N ATOM 1774 CA LYS A 109 15.079 -9.520 7.448 1.00 0.00 C ATOM 1775 C LYS A 109 16.026 -8.487 6.851 1.00 0.00 C ATOM 1776 O LYS A 109 17.220 -8.737 6.677 1.00 0.00 O ATOM 1777 CB LYS A 109 14.870 -10.689 6.481 1.00 0.00 C ATOM 1778 CG LYS A 109 15.092 -12.056 7.119 1.00 0.00 C ATOM 1779 CD LYS A 109 14.179 -12.281 8.320 1.00 0.00 C ATOM 1780 CE LYS A 109 14.473 -13.600 9.023 1.00 0.00 C ATOM 1781 NZ LYS A 109 14.210 -14.779 8.157 1.00 0.00 N ATOM 0 H LYS A 109 13.128 -8.872 7.028 1.00 0.00 H new ATOM 0 HA LYS A 109 15.529 -9.913 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.856 -10.643 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.550 -10.577 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.915 -12.835 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.132 -12.145 7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.300 -11.459 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.140 -12.269 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.515 -13.613 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.863 -13.672 9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.294 -15.649 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.250 -14.713 7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.902 -14.801 7.381 1.00 0.00 H new ATOM 1795 N MET A 110 15.476 -7.326 6.543 1.00 0.00 N ATOM 1796 CA MET A 110 16.261 -6.198 6.053 1.00 0.00 C ATOM 1797 C MET A 110 17.067 -5.586 7.201 1.00 0.00 C ATOM 1798 O MET A 110 16.506 -5.267 8.249 1.00 0.00 O ATOM 1799 CB MET A 110 15.330 -5.147 5.410 1.00 0.00 C ATOM 1800 CG MET A 110 15.960 -3.778 5.197 1.00 0.00 C ATOM 1801 SD MET A 110 15.733 -2.699 6.620 1.00 0.00 S ATOM 1802 CE MET A 110 16.448 -1.187 5.999 1.00 0.00 C ATOM 0 H MET A 110 14.477 -7.135 6.624 1.00 0.00 H new ATOM 0 HA MET A 110 16.959 -6.547 5.292 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.987 -5.527 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.448 -5.031 6.039 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.025 -3.897 4.999 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.522 -3.311 4.315 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.185 -0.362 6.660 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.533 -1.287 5.958 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.064 -0.987 4.999 1.00 0.00 H new ATOM 1812 N PRO A 111 18.398 -5.457 7.052 1.00 0.00 N ATOM 1813 CA PRO A 111 19.220 -4.806 8.063 1.00 0.00 C ATOM 1814 C PRO A 111 19.184 -3.286 7.941 1.00 0.00 C ATOM 1815 O PRO A 111 19.132 -2.738 6.834 1.00 0.00 O ATOM 1816 CB PRO A 111 20.620 -5.338 7.790 1.00 0.00 C ATOM 1817 CG PRO A 111 20.635 -5.710 6.341 1.00 0.00 C ATOM 1818 CD PRO A 111 19.206 -5.951 5.917 1.00 0.00 C ATOM 0 HA PRO A 111 18.869 -5.018 9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.375 -4.583 8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.841 -6.201 8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.082 -4.914 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.238 -6.604 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 111 18.969 -5.416 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 111 19.021 -7.008 5.727 1.00 0.00 H new ATOM 1826 N ASP A 112 19.220 -2.615 9.080 1.00 0.00 N ATOM 1827 CA ASP A 112 19.110 -1.164 9.130 1.00 0.00 C ATOM 1828 C ASP A 112 20.137 -0.592 10.093 1.00 0.00 C ATOM 1829 O ASP A 112 21.158 -0.046 9.623 1.00 0.00 O ATOM 1830 CB ASP A 112 17.696 -0.750 9.554 1.00 0.00 C ATOM 1831 CG ASP A 112 17.551 0.749 9.745 1.00 0.00 C ATOM 1832 OD1 ASP A 112 17.114 1.175 10.835 1.00 0.00 O ATOM 1833 OD2 ASP A 112 17.865 1.512 8.805 1.00 0.00 O ATOM 1834 OXT ASP A 112 19.934 -0.715 11.319 1.00 0.00 O ATOM 0 H ASP A 112 19.326 -3.057 9.993 1.00 0.00 H new ATOM 0 HA ASP A 112 19.304 -0.766 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 112 16.983 -1.086 8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 112 17.438 -1.256 10.484 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -22.822 4.970 13.283 1.00 0.00 N ATOM 1841 CA HIS B 281 -23.174 6.247 12.624 1.00 0.00 C ATOM 1842 C HIS B 281 -22.267 6.480 11.426 1.00 0.00 C ATOM 1843 O HIS B 281 -21.183 5.899 11.351 1.00 0.00 O ATOM 1844 CB HIS B 281 -23.076 7.425 13.610 1.00 0.00 C ATOM 1845 CG HIS B 281 -21.704 7.664 14.175 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -21.326 7.255 15.436 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -20.626 8.295 13.651 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -20.080 7.625 15.661 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -19.632 8.257 14.595 1.00 0.00 N ATOM 0 HA HIS B 281 -24.207 6.183 12.281 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -23.408 8.332 13.104 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -23.767 7.249 14.434 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -20.561 8.745 12.671 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -19.521 7.441 16.567 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -18.698 8.653 14.489 1.00 0.00 H new ATOM 1860 N ASN B 282 -22.717 7.336 10.509 1.00 0.00 N ATOM 1861 CA ASN B 282 -21.992 7.633 9.272 1.00 0.00 C ATOM 1862 C ASN B 282 -21.968 6.414 8.357 1.00 0.00 C ATOM 1863 O ASN B 282 -21.182 5.483 8.553 1.00 0.00 O ATOM 1864 CB ASN B 282 -20.562 8.117 9.558 1.00 0.00 C ATOM 1865 CG ASN B 282 -19.795 8.463 8.293 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -19.101 7.623 7.720 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -19.907 9.706 7.856 1.00 0.00 N ATOM 0 H ASN B 282 -23.596 7.845 10.602 1.00 0.00 H new ATOM 0 HA ASN B 282 -22.522 8.440 8.766 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -20.602 8.994 10.205 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -20.023 7.343 10.104 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -19.408 9.998 7.016 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -20.492 10.373 8.359 1.00 0.00 H new ATOM 1874 N LEU B 283 -22.844 6.417 7.363 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.927 5.315 6.420 1.00 0.00 C ATOM 1876 C LEU B 283 -21.831 5.439 5.368 1.00 0.00 C ATOM 1877 O LEU B 283 -22.059 5.923 4.257 1.00 0.00 O ATOM 1878 CB LEU B 283 -24.306 5.276 5.758 1.00 0.00 C ATOM 1879 CG LEU B 283 -24.536 4.114 4.787 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -24.421 2.778 5.504 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.896 4.244 4.120 1.00 0.00 C ATOM 0 H LEU B 283 -23.508 7.172 7.190 1.00 0.00 H new ATOM 0 HA LEU B 283 -22.784 4.381 6.963 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -25.064 5.230 6.540 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -24.459 6.212 5.221 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.765 4.154 4.018 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -24.588 1.968 4.794 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -23.425 2.682 5.936 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -25.167 2.725 6.297 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -26.045 3.411 3.433 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -26.677 4.231 4.880 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -25.942 5.183 3.568 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.633 5.022 5.742 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.498 5.051 4.841 1.00 0.00 C ATOM 1895 C LEU B 284 -19.677 4.018 3.734 1.00 0.00 C ATOM 1896 O LEU B 284 -20.083 2.882 3.989 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.203 4.789 5.617 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.916 4.830 4.789 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.747 6.184 4.118 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -15.712 4.516 5.663 1.00 0.00 C ATOM 0 H LEU B 284 -20.423 4.657 6.671 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.435 6.039 4.384 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.124 5.526 6.416 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -18.277 3.811 6.092 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.988 4.071 4.010 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -15.826 6.189 3.535 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.594 6.372 3.458 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -16.700 6.964 4.878 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -14.805 4.549 5.059 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -15.642 5.252 6.464 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.825 3.521 6.094 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.383 4.427 2.508 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.510 3.550 1.354 1.00 0.00 C ATOM 1914 C ARG B 285 -18.429 2.481 1.382 1.00 0.00 C ATOM 1915 O ARG B 285 -17.333 2.710 1.889 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.397 4.338 0.041 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.598 5.214 -0.292 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.659 6.460 0.574 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.734 7.359 0.151 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.931 8.580 0.653 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -21.128 9.055 1.595 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.934 9.326 0.210 1.00 0.00 N ATOM 0 H ARG B 285 -19.053 5.366 2.287 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.494 3.084 1.403 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.509 4.968 0.089 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.244 3.633 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -20.553 5.505 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -21.513 4.637 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.812 6.173 1.614 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.705 6.985 0.525 1.00 0.00 H new ATOM 0 HE ARG B 285 -22.373 7.032 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -20.355 8.487 1.940 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -21.284 9.989 1.975 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.555 8.967 -0.515 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.084 10.259 0.594 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.736 1.323 0.834 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.758 0.257 0.727 1.00 0.00 C ATOM 1938 C ILE B 286 -17.147 0.256 -0.667 1.00 0.00 C ATOM 1939 O ILE B 286 -17.858 0.385 -1.664 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.350 -1.145 1.041 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.616 -1.440 0.213 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.635 -1.274 2.532 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -20.902 -0.867 0.787 1.00 0.00 C ATOM 0 H ILE B 286 -19.655 1.095 0.455 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.992 0.454 1.477 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.605 -1.888 0.757 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.476 -1.044 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -19.727 -2.520 0.118 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.049 -2.261 2.739 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.709 -1.145 3.092 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.351 -0.509 2.833 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -21.738 -1.126 0.137 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -21.073 -1.281 1.780 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.818 0.218 0.856 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.203 1.868 0.418 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.652 1.222 -0.472 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.134 1.011 -0.415 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.335 0.702 -1.482 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.778 0.839 -1.645 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.302 -0.052 -2.759 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.783 0.160 -3.015 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.617 -0.042 -1.762 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.111 0.130 -2.000 1.00 0.00 C HETATM 1964 N ALY B 287 -15.823 0.153 -0.728 1.00 0.00 N HETATM 1965 C ALY B 287 -15.633 -1.002 -2.876 1.00 0.00 C HETATM 1966 O ALY B 287 -15.810 -2.126 -2.405 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.631 1.978 -0.432 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.874 0.483 0.503 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.816 0.422 -1.275 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.821 0.174 -2.187 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.119 -0.531 -3.788 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -12.943 1.168 -3.397 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.023 1.878 -1.864 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.276 0.584 -0.710 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.126 -1.096 -2.500 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.745 0.148 -3.674 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.280 1.077 -2.512 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.293 0.667 -1.000 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.431 -1.041 -1.367 1.00 0.00 H new HETATM 0 H ALY B 287 -15.307 0.060 0.147 1.00 0.00 H new ATOM 1981 N GLN B 288 -15.881 -0.702 -4.143 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.453 -1.674 -5.068 1.00 0.00 C ATOM 1983 C GLN B 288 -15.378 -2.650 -5.561 1.00 0.00 C ATOM 1984 O GLN B 288 -15.023 -2.674 -6.739 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.112 -0.942 -6.240 1.00 0.00 C ATOM 1986 CG GLN B 288 -17.976 -1.826 -7.123 1.00 0.00 C ATOM 1987 CD GLN B 288 -18.647 -1.057 -8.246 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -18.873 -1.598 -9.329 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -18.987 0.200 -7.994 1.00 0.00 N ATOM 0 H GLN B 288 -15.694 0.211 -4.557 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.213 -2.257 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.725 -0.130 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -16.334 -0.487 -6.852 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -17.361 -2.619 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.739 -2.308 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -18.782 0.611 -7.083 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -19.454 0.756 -8.711 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.855 -3.439 -4.631 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.853 -4.453 -4.938 1.00 0.00 C ATOM 2000 C PHE B 289 -14.435 -5.847 -4.738 1.00 0.00 C ATOM 2001 O PHE B 289 -13.705 -6.808 -4.498 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.613 -4.282 -4.047 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.578 -3.321 -4.576 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.896 -2.377 -5.540 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.276 -3.372 -4.104 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -10.935 -1.507 -6.021 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.313 -2.503 -4.580 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.643 -1.570 -5.540 1.00 0.00 C ATOM 0 H PHE B 289 -15.112 -3.395 -3.645 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.557 -4.331 -5.980 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.935 -3.941 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.145 -5.257 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.906 -2.320 -5.920 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.010 -4.102 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.196 -0.778 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.303 -2.555 -4.201 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.892 -0.890 -5.915 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.753 -5.948 -4.831 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.436 -7.220 -4.640 1.00 0.00 C ATOM 2020 C LEU B 290 -16.489 -7.979 -5.958 1.00 0.00 C ATOM 2021 O LEU B 290 -17.525 -8.024 -6.624 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.856 -7.020 -4.090 1.00 0.00 C ATOM 2023 CG LEU B 290 -17.958 -6.500 -2.650 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -17.565 -5.033 -2.558 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -19.364 -6.705 -2.113 1.00 0.00 C ATOM 0 H LEU B 290 -16.372 -5.164 -5.038 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.874 -7.799 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.382 -6.324 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.383 -7.972 -4.149 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.258 -7.071 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -17.649 -4.698 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -16.536 -4.910 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -18.228 -4.439 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -19.421 -6.331 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -20.075 -6.163 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -19.607 -7.768 -2.125 1.00 0.00 H new ATOM 2037 N GLN B 291 -15.364 -8.561 -6.334 1.00 0.00 N ATOM 2038 CA GLN B 291 -15.250 -9.249 -7.610 1.00 0.00 C ATOM 2039 C GLN B 291 -15.623 -10.720 -7.470 1.00 0.00 C ATOM 2040 O GLN B 291 -16.592 -11.184 -8.069 1.00 0.00 O ATOM 2041 CB GLN B 291 -13.828 -9.115 -8.153 1.00 0.00 C ATOM 2042 CG GLN B 291 -13.367 -7.673 -8.269 1.00 0.00 C ATOM 2043 CD GLN B 291 -11.962 -7.542 -8.824 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -11.117 -8.420 -8.639 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -11.704 -6.439 -9.503 1.00 0.00 N ATOM 0 H GLN B 291 -14.513 -8.571 -5.772 1.00 0.00 H new ATOM 0 HA GLN B 291 -15.944 -8.787 -8.312 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -13.144 -9.657 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -13.774 -9.587 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -14.058 -7.127 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -13.408 -7.204 -7.286 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -12.433 -5.738 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -10.776 -6.289 -9.898 1.00 0.00 H new ATOM 2054 N SER B 292 -14.859 -11.446 -6.671 1.00 0.00 N ATOM 2055 CA SER B 292 -15.078 -12.871 -6.493 1.00 0.00 C ATOM 2056 C SER B 292 -14.942 -13.256 -5.020 1.00 0.00 C ATOM 2057 O SER B 292 -15.978 -13.361 -4.333 1.00 0.00 O ATOM 2058 CB SER B 292 -14.083 -13.659 -7.347 1.00 0.00 C ATOM 2059 OG SER B 292 -14.187 -13.296 -8.718 1.00 0.00 O ATOM 2060 OXT SER B 292 -13.802 -13.444 -4.550 1.00 0.00 O ATOM 0 H SER B 292 -14.078 -11.070 -6.133 1.00 0.00 H new ATOM 0 HA SER B 292 -16.091 -13.114 -6.815 1.00 0.00 H new ATOM 0 HB2 SER B 292 -13.069 -13.473 -6.994 1.00 0.00 H new ATOM 0 HB3 SER B 292 -14.269 -14.727 -7.235 1.00 0.00 H new ATOM 0 HG SER B 292 -13.540 -13.812 -9.243 1.00 0.00 H new TER 2066 SER B 292