USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 TYR OH : rot 72:sc= 1.96 USER MOD Set 1.2: A 62 CYS SG : rot 125:sc= -0.71 USER MOD Set 2.1: A 54 ASN : amide:sc= 0.328 K(o=1.1,f=-7.9!) USER MOD Set 2.2: A 56 THR OG1 : rot -30:sc= 0.782 USER MOD Set 3.1: A 49 TYR OH : rot 24:sc= 1.11 USER MOD Set 3.2: A 106 HIS : no HD1:sc= 0.912 K(o=2,f=-3.8!) USER MOD Set 4.1: A 39 THR OG1 : rot 63:sc= 1.22 USER MOD Set 4.2: A 83 HIS : no HE2:sc= 0.469 K(o=1.7,f=-7.8!) USER MOD Set 5.1: A 11 GLN : amide:sc= 1.26 K(o=2.2,f=-0.47) USER MOD Set 5.2: A 19 TYR OH : rot 86:sc= 0.97 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0221 (180deg=-0.217) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0361 (180deg=-0.178) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -174:sc= -0.4 (180deg=-0.479) USER MOD Single : A 5 GLN : amide:sc= 0.485 K(o=0.48,f=-0.02) USER MOD Single : A 6 ASN : amide:sc= -0.0185 K(o=-0.018,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 2.27 (180deg=2.04) USER MOD Single : A 9 ASN : amide:sc= -0.564 K(o=-0.56,f=-3.7!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc=-0.00987 X(o=-0.0099,f=0) USER MOD Single : A 17 SER OG : rot 77:sc= 0.671 USER MOD Single : A 20 MET CE :methyl -161:sc= 0 (180deg=-0.829) USER MOD Single : A 21 SER OG : rot 84:sc= 0.664 USER MOD Single : A 22 GLN : amide:sc= -0.0913 K(o=-0.091,f=-6.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.3) USER MOD Single : A 34 THR OG1 : rot 102:sc= 1.07 USER MOD Single : A 35 THR OG1 : rot -5:sc= 0.0451 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 149:sc= 0.946 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 61:sc= -1.44 USER MOD Single : A 55 SER OG : rot -51:sc= 0.64 USER MOD Single : A 58 SER OG : rot 158:sc= 0.715 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 66 THR OG1 : rot -107:sc= 0.612 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0904 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 100:sc= -0.244 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 0.967 (180deg=0.931) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.41) USER MOD Single : A 98 MET CE :methyl -174:sc= -0.128 (180deg=-0.239) USER MOD Single : A 107 HIS : no HD1:sc= 0.719 K(o=0.72,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.193 -1.735 -0.526 1.00 0.00 N ATOM 2 CA MET A 1 0.301 -3.144 -0.501 1.00 0.00 C ATOM 3 C MET A 1 -0.813 -4.143 -0.866 1.00 0.00 C ATOM 4 O MET A 1 -0.542 -5.225 -1.390 1.00 0.00 O ATOM 5 CB MET A 1 0.872 -3.483 0.875 1.00 0.00 C ATOM 6 CG MET A 1 2.106 -2.680 1.260 1.00 0.00 C ATOM 7 SD MET A 1 3.469 -2.899 0.098 1.00 0.00 S ATOM 8 CE MET A 1 3.920 -4.601 0.424 1.00 0.00 C ATOM 0 H1 MET A 1 0.609 -1.084 -0.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.662 -1.548 -1.435 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.871 -1.591 0.249 1.00 0.00 H new ATOM 0 HA MET A 1 1.089 -3.229 -1.250 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.099 -3.320 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.122 -4.544 0.900 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.845 -1.623 1.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.432 -2.978 2.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.865 -4.828 -0.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.026 -4.750 1.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.143 -5.263 0.041 1.00 0.00 H new ATOM 20 N SER A 2 -2.064 -3.768 -0.598 1.00 0.00 N ATOM 21 CA SER A 2 -3.225 -4.652 -0.820 1.00 0.00 C ATOM 22 C SER A 2 -3.445 -4.991 -2.305 1.00 0.00 C ATOM 23 O SER A 2 -4.048 -6.018 -2.631 1.00 0.00 O ATOM 24 CB SER A 2 -4.472 -4.008 -0.246 1.00 0.00 C ATOM 25 OG SER A 2 -4.827 -2.841 -0.936 1.00 0.00 O ATOM 0 H SER A 2 -2.308 -2.851 -0.223 1.00 0.00 H new ATOM 0 HA SER A 2 -3.016 -5.592 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.298 -4.718 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.306 -3.771 0.805 1.00 0.00 H new ATOM 0 HG SER A 2 -5.636 -2.458 -0.536 1.00 0.00 H new ATOM 31 N TRP A 3 -2.976 -4.126 -3.204 1.00 0.00 N ATOM 32 CA TRP A 3 -3.015 -4.417 -4.645 1.00 0.00 C ATOM 33 C TRP A 3 -2.291 -5.726 -5.001 1.00 0.00 C ATOM 34 O TRP A 3 -2.654 -6.396 -5.971 1.00 0.00 O ATOM 35 CB TRP A 3 -2.401 -3.256 -5.430 1.00 0.00 C ATOM 36 CG TRP A 3 -0.935 -3.073 -5.178 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.364 -2.301 -4.210 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.145 -3.674 -5.903 1.00 0.00 C ATOM 39 NE1 TRP A 3 1.005 -2.382 -4.287 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.342 -3.221 -5.320 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.215 -4.553 -6.991 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.588 -3.610 -5.783 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.465 -4.945 -7.454 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.618 -4.487 -6.867 1.00 0.00 C ATOM 0 H TRP A 3 -2.566 -3.223 -2.967 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.063 -4.540 -4.919 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.560 -3.424 -6.495 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.924 -2.336 -5.170 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -0.909 -1.711 -3.488 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.663 -1.898 -3.677 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.686 -4.919 -7.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.497 -3.250 -5.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.531 -5.623 -8.292 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.572 -4.814 -7.254 1.00 0.00 H new ATOM 55 N MET A 4 -1.286 -6.103 -4.212 1.00 0.00 N ATOM 56 CA MET A 4 -0.575 -7.367 -4.442 1.00 0.00 C ATOM 57 C MET A 4 -1.529 -8.553 -4.217 1.00 0.00 C ATOM 58 O MET A 4 -1.629 -9.460 -5.051 1.00 0.00 O ATOM 59 CB MET A 4 0.640 -7.472 -3.523 1.00 0.00 C ATOM 60 CG MET A 4 1.755 -6.483 -3.836 1.00 0.00 C ATOM 61 SD MET A 4 3.082 -6.523 -2.616 1.00 0.00 S ATOM 62 CE MET A 4 3.822 -8.114 -2.973 1.00 0.00 C ATOM 0 H MET A 4 -0.946 -5.562 -3.417 1.00 0.00 H new ATOM 0 HA MET A 4 -0.223 -7.391 -5.473 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.315 -7.321 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.041 -8.484 -3.585 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.166 -6.704 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.340 -5.476 -3.883 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.591 -8.332 -2.232 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.055 -8.888 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.271 -8.092 -3.966 1.00 0.00 H new ATOM 72 N GLN A 5 -2.217 -8.543 -3.070 1.00 0.00 N ATOM 73 CA GLN A 5 -3.256 -9.538 -2.772 1.00 0.00 C ATOM 74 C GLN A 5 -4.331 -9.563 -3.867 1.00 0.00 C ATOM 75 O GLN A 5 -4.713 -10.628 -4.342 1.00 0.00 O ATOM 76 CB GLN A 5 -3.905 -9.244 -1.418 1.00 0.00 C ATOM 77 CG GLN A 5 -5.007 -10.217 -1.031 1.00 0.00 C ATOM 78 CD GLN A 5 -5.650 -9.865 0.297 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.350 -8.857 0.415 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.411 -10.694 1.307 1.00 0.00 N ATOM 0 H GLN A 5 -2.073 -7.855 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.777 -10.517 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.134 -9.260 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.317 -8.235 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.770 -10.226 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.595 -11.225 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.825 -11.517 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.813 -10.508 2.226 1.00 0.00 H new ATOM 89 N ASN A 6 -4.790 -8.374 -4.266 1.00 0.00 N ATOM 90 CA ASN A 6 -5.868 -8.224 -5.261 1.00 0.00 C ATOM 91 C ASN A 6 -5.526 -8.896 -6.601 1.00 0.00 C ATOM 92 O ASN A 6 -6.402 -9.433 -7.278 1.00 0.00 O ATOM 93 CB ASN A 6 -6.201 -6.760 -5.488 1.00 0.00 C ATOM 94 CG ASN A 6 -6.958 -6.129 -4.352 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.571 -6.818 -3.529 1.00 0.00 O ATOM 96 ND2 ASN A 6 -6.987 -4.821 -4.351 1.00 0.00 N ATOM 0 H ASN A 6 -4.430 -7.488 -3.913 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.741 -8.730 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.276 -6.207 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.790 -6.668 -6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.534 -4.324 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.463 -4.299 -5.053 1.00 0.00 H new ATOM 103 N LEU A 7 -4.253 -8.860 -6.982 1.00 0.00 N ATOM 104 CA LEU A 7 -3.802 -9.513 -8.216 1.00 0.00 C ATOM 105 C LEU A 7 -3.806 -11.045 -8.066 1.00 0.00 C ATOM 106 O LEU A 7 -4.539 -11.747 -8.762 1.00 0.00 O ATOM 107 CB LEU A 7 -2.400 -9.016 -8.595 1.00 0.00 C ATOM 108 CG LEU A 7 -2.335 -7.571 -9.102 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.885 -7.152 -9.302 1.00 0.00 C ATOM 110 CD2 LEU A 7 -3.116 -7.451 -10.402 1.00 0.00 C ATOM 0 H LEU A 7 -3.515 -8.389 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.498 -9.252 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.751 -9.108 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.995 -9.673 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.783 -6.907 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.850 -6.124 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.352 -7.223 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.414 -7.809 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.069 -6.423 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.684 -8.117 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.156 -7.727 -10.228 1.00 0.00 H new ATOM 122 N LYS A 8 -2.997 -11.542 -7.130 1.00 0.00 N ATOM 123 CA LYS A 8 -2.798 -12.985 -6.922 1.00 0.00 C ATOM 124 C LYS A 8 -4.060 -13.714 -6.371 1.00 0.00 C ATOM 125 O LYS A 8 -4.087 -14.944 -6.315 1.00 0.00 O ATOM 126 CB LYS A 8 -1.616 -13.206 -5.976 1.00 0.00 C ATOM 127 CG LYS A 8 -1.840 -12.693 -4.560 1.00 0.00 C ATOM 128 CD LYS A 8 -0.581 -12.830 -3.717 1.00 0.00 C ATOM 129 CE LYS A 8 -0.548 -11.800 -2.597 1.00 0.00 C ATOM 130 NZ LYS A 8 0.766 -11.777 -1.901 1.00 0.00 N ATOM 0 H LYS A 8 -2.458 -10.958 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.595 -13.419 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.396 -14.273 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.736 -12.715 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.146 -11.647 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.654 -13.248 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.533 -13.833 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.298 -12.709 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.759 -10.812 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.336 -12.022 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.807 -10.956 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.881 -12.650 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.530 -11.709 -2.604 1.00 0.00 H new ATOM 144 N ASN A 9 -5.094 -12.969 -5.956 1.00 0.00 N ATOM 145 CA ASN A 9 -6.378 -13.582 -5.564 1.00 0.00 C ATOM 146 C ASN A 9 -6.973 -14.424 -6.700 1.00 0.00 C ATOM 147 O ASN A 9 -7.679 -15.402 -6.455 1.00 0.00 O ATOM 148 CB ASN A 9 -7.380 -12.532 -5.117 1.00 0.00 C ATOM 149 CG ASN A 9 -7.161 -12.045 -3.711 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.471 -12.689 -2.911 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.810 -10.958 -3.382 1.00 0.00 N ATOM 0 H ASN A 9 -5.071 -11.952 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.168 -14.242 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.330 -11.682 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.385 -12.945 -5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.761 -10.604 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.365 -10.464 -4.081 1.00 0.00 H new ATOM 158 N TYR A 10 -6.695 -14.029 -7.939 1.00 0.00 N ATOM 159 CA TYR A 10 -7.296 -14.670 -9.113 1.00 0.00 C ATOM 160 C TYR A 10 -6.347 -14.659 -10.318 1.00 0.00 C ATOM 161 O TYR A 10 -5.403 -13.868 -10.380 1.00 0.00 O ATOM 162 CB TYR A 10 -8.611 -13.978 -9.479 1.00 0.00 C ATOM 163 CG TYR A 10 -8.472 -12.494 -9.737 1.00 0.00 C ATOM 164 CD1 TYR A 10 -8.022 -12.022 -10.961 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.795 -11.570 -8.755 1.00 0.00 C ATOM 166 CE1 TYR A 10 -7.893 -10.668 -11.201 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.672 -10.213 -8.984 1.00 0.00 C ATOM 168 CZ TYR A 10 -8.220 -9.765 -10.209 1.00 0.00 C ATOM 169 OH TYR A 10 -8.095 -8.416 -10.443 1.00 0.00 O ATOM 0 H TYR A 10 -6.056 -13.266 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.492 -15.710 -8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.026 -14.454 -10.368 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.327 -14.131 -8.672 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.768 -12.726 -11.740 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.149 -11.917 -7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.538 -10.318 -12.159 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.928 -9.506 -8.209 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.367 -7.919 -9.643 1.00 0.00 H new ATOM 179 N GLN A 11 -6.616 -15.536 -11.280 1.00 0.00 N ATOM 180 CA GLN A 11 -5.869 -15.557 -12.538 1.00 0.00 C ATOM 181 C GLN A 11 -6.719 -14.984 -13.686 1.00 0.00 C ATOM 182 O GLN A 11 -7.515 -15.698 -14.300 1.00 0.00 O ATOM 183 CB GLN A 11 -5.428 -16.984 -12.875 1.00 0.00 C ATOM 184 CG GLN A 11 -4.672 -17.108 -14.187 1.00 0.00 C ATOM 185 CD GLN A 11 -3.476 -16.178 -14.255 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.602 -16.203 -13.384 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.430 -15.348 -15.292 1.00 0.00 N ATOM 0 H GLN A 11 -7.347 -16.244 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.983 -14.934 -12.417 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.797 -17.358 -12.068 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.309 -17.625 -12.914 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.336 -18.137 -14.314 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.347 -16.889 -15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.174 -15.361 -15.989 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.650 -14.698 -15.391 1.00 0.00 H new ATOM 196 N HIS A 12 -6.570 -13.689 -13.960 1.00 0.00 N ATOM 197 CA HIS A 12 -7.314 -13.052 -15.058 1.00 0.00 C ATOM 198 C HIS A 12 -6.403 -12.598 -16.212 1.00 0.00 C ATOM 199 O HIS A 12 -6.733 -12.808 -17.378 1.00 0.00 O ATOM 200 CB HIS A 12 -8.112 -11.855 -14.532 1.00 0.00 C ATOM 201 CG HIS A 12 -8.965 -11.196 -15.570 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.023 -11.838 -16.180 1.00 0.00 N ATOM 203 CD2 HIS A 12 -8.916 -9.955 -16.109 1.00 0.00 C ATOM 204 CE1 HIS A 12 -10.589 -11.018 -17.049 1.00 0.00 C ATOM 205 NE2 HIS A 12 -9.937 -9.870 -17.024 1.00 0.00 N ATOM 0 H HIS A 12 -5.950 -13.062 -13.447 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.991 -13.807 -15.457 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.747 -12.186 -13.710 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.419 -11.119 -14.124 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.207 -9.178 -15.865 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.440 -11.248 -17.673 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.156 -9.052 -17.592 1.00 0.00 H new ATOM 210 N LEU A 13 -5.262 -11.989 -15.904 1.00 0.00 N ATOM 211 CA LEU A 13 -4.368 -11.491 -16.957 1.00 0.00 C ATOM 212 C LEU A 13 -3.025 -12.247 -16.955 1.00 0.00 C ATOM 213 O LEU A 13 -2.643 -12.839 -15.947 1.00 0.00 O ATOM 214 CB LEU A 13 -4.136 -9.986 -16.782 1.00 0.00 C ATOM 215 CG LEU A 13 -5.403 -9.121 -16.818 1.00 0.00 C ATOM 216 CD1 LEU A 13 -5.052 -7.669 -16.522 1.00 0.00 C ATOM 217 CD2 LEU A 13 -6.068 -9.250 -18.180 1.00 0.00 C ATOM 0 H LEU A 13 -4.934 -11.828 -14.952 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.847 -11.667 -17.920 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.630 -9.821 -15.831 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.460 -9.645 -17.566 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.101 -9.465 -16.054 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.957 -7.063 -16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.598 -7.599 -15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.349 -7.305 -17.271 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.968 -8.635 -18.205 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.378 -8.915 -18.955 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.335 -10.292 -18.357 1.00 0.00 H new ATOM 229 N ARG A 14 -2.324 -12.247 -18.090 1.00 0.00 N ATOM 230 CA ARG A 14 -0.960 -12.793 -18.160 1.00 0.00 C ATOM 231 C ARG A 14 0.096 -11.842 -17.571 1.00 0.00 C ATOM 232 O ARG A 14 1.294 -12.097 -17.711 1.00 0.00 O ATOM 233 CB ARG A 14 -0.595 -13.205 -19.579 1.00 0.00 C ATOM 234 CG ARG A 14 -1.383 -14.385 -20.126 1.00 0.00 C ATOM 235 CD ARG A 14 -1.035 -14.760 -21.520 1.00 0.00 C ATOM 236 NE ARG A 14 -1.851 -15.827 -22.078 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.698 -16.340 -23.314 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.790 -15.864 -24.137 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.503 -17.321 -23.687 1.00 0.00 N ATOM 0 H ARG A 14 -2.674 -11.877 -18.974 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.959 -13.687 -17.536 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.743 -12.351 -20.239 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.467 -13.451 -19.609 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.220 -15.247 -19.479 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.446 -14.149 -20.080 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.128 -13.878 -22.154 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.011 -15.065 -21.551 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.591 -16.214 -21.492 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.188 -15.095 -23.843 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.687 -16.264 -25.070 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.215 -17.668 -23.045 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.412 -17.730 -24.617 1.00 0.00 H new ATOM 253 N ASP A 15 -0.324 -10.770 -16.900 1.00 0.00 N ATOM 254 CA ASP A 15 0.635 -9.831 -16.293 1.00 0.00 C ATOM 255 C ASP A 15 1.512 -10.496 -15.216 1.00 0.00 C ATOM 256 O ASP A 15 1.008 -10.965 -14.201 1.00 0.00 O ATOM 257 CB ASP A 15 -0.107 -8.635 -15.690 1.00 0.00 C ATOM 258 CG ASP A 15 0.800 -7.517 -15.194 1.00 0.00 C ATOM 259 OD1 ASP A 15 1.985 -7.735 -15.105 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.328 -6.413 -15.058 1.00 0.00 O ATOM 0 H ASP A 15 -1.305 -10.527 -16.761 1.00 0.00 H new ATOM 0 HA ASP A 15 1.298 -9.494 -17.090 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.787 -8.229 -16.439 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.720 -8.985 -14.859 1.00 0.00 H new ATOM 265 N PRO A 16 2.854 -10.490 -15.398 1.00 0.00 N ATOM 266 CA PRO A 16 3.794 -11.060 -14.411 1.00 0.00 C ATOM 267 C PRO A 16 3.589 -10.487 -13.000 1.00 0.00 C ATOM 268 O PRO A 16 3.957 -11.111 -12.004 1.00 0.00 O ATOM 269 CB PRO A 16 5.174 -10.704 -14.973 1.00 0.00 C ATOM 270 CG PRO A 16 4.963 -10.610 -16.445 1.00 0.00 C ATOM 271 CD PRO A 16 3.591 -10.015 -16.615 1.00 0.00 C ATOM 0 HA PRO A 16 3.652 -12.133 -14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.539 -9.762 -14.563 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.912 -11.467 -14.726 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.723 -9.984 -16.912 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.026 -11.592 -16.914 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.628 -8.927 -16.663 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.115 -10.359 -17.533 1.00 0.00 H new ATOM 279 N SER A 17 2.995 -9.292 -12.925 1.00 0.00 N ATOM 280 CA SER A 17 2.719 -8.628 -11.643 1.00 0.00 C ATOM 281 C SER A 17 1.898 -9.521 -10.698 1.00 0.00 C ATOM 282 O SER A 17 2.069 -9.466 -9.482 1.00 0.00 O ATOM 283 CB SER A 17 1.997 -7.318 -11.885 1.00 0.00 C ATOM 284 OG SER A 17 2.753 -6.438 -12.672 1.00 0.00 O ATOM 0 H SER A 17 2.694 -8.760 -13.742 1.00 0.00 H new ATOM 0 HA SER A 17 3.675 -8.433 -11.158 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.044 -7.515 -12.376 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.772 -6.846 -10.928 1.00 0.00 H new ATOM 0 HG SER A 17 2.710 -6.719 -13.610 1.00 0.00 H new ATOM 290 N GLU A 18 1.013 -10.346 -11.259 1.00 0.00 N ATOM 291 CA GLU A 18 0.208 -11.278 -10.461 1.00 0.00 C ATOM 292 C GLU A 18 1.122 -12.275 -9.710 1.00 0.00 C ATOM 293 O GLU A 18 0.821 -12.709 -8.590 1.00 0.00 O ATOM 294 CB GLU A 18 -0.785 -12.029 -11.351 1.00 0.00 C ATOM 295 CG GLU A 18 -1.904 -11.163 -11.912 1.00 0.00 C ATOM 296 CD GLU A 18 -2.779 -11.944 -12.854 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.502 -13.100 -13.071 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.786 -11.421 -13.268 1.00 0.00 O ATOM 0 H GLU A 18 0.834 -10.389 -12.262 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.356 -10.703 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.241 -12.481 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.226 -12.844 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.507 -10.769 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.477 -10.307 -12.434 1.00 0.00 H new ATOM 305 N TYR A 19 2.270 -12.592 -10.311 1.00 0.00 N ATOM 306 CA TYR A 19 3.175 -13.615 -9.772 1.00 0.00 C ATOM 307 C TYR A 19 4.316 -12.977 -8.968 1.00 0.00 C ATOM 308 O TYR A 19 4.869 -13.585 -8.055 1.00 0.00 O ATOM 309 CB TYR A 19 3.768 -14.454 -10.905 1.00 0.00 C ATOM 310 CG TYR A 19 2.735 -15.110 -11.802 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.169 -16.333 -11.469 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.346 -14.513 -12.994 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.251 -16.945 -12.303 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.425 -15.116 -13.827 1.00 0.00 C ATOM 315 CZ TYR A 19 0.883 -16.331 -13.480 1.00 0.00 C ATOM 316 OH TYR A 19 -0.027 -16.938 -14.316 1.00 0.00 O ATOM 0 H TYR A 19 2.598 -12.156 -11.173 1.00 0.00 H new ATOM 0 HA TYR A 19 2.591 -14.254 -9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.410 -13.818 -11.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.403 -15.229 -10.474 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.450 -16.814 -10.544 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.771 -13.561 -13.274 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.825 -17.900 -12.033 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.131 -14.635 -14.748 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.936 -16.698 -14.039 1.00 0.00 H new ATOM 326 N MET A 20 4.674 -11.747 -9.319 1.00 0.00 N ATOM 327 CA MET A 20 5.607 -10.957 -8.511 1.00 0.00 C ATOM 328 C MET A 20 4.936 -10.526 -7.195 1.00 0.00 C ATOM 329 O MET A 20 5.598 -10.286 -6.188 1.00 0.00 O ATOM 330 CB MET A 20 6.090 -9.737 -9.293 1.00 0.00 C ATOM 331 CG MET A 20 7.010 -10.062 -10.461 1.00 0.00 C ATOM 332 SD MET A 20 7.771 -8.591 -11.177 1.00 0.00 S ATOM 333 CE MET A 20 6.376 -7.874 -12.041 1.00 0.00 C ATOM 0 H MET A 20 4.335 -11.272 -10.156 1.00 0.00 H new ATOM 0 HA MET A 20 6.473 -11.575 -8.273 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.222 -9.195 -9.670 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.612 -9.067 -8.610 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.791 -10.743 -10.124 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.442 -10.584 -11.231 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.736 -7.171 -12.793 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.804 -8.664 -12.527 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.738 -7.349 -11.330 1.00 0.00 H new ATOM 343 N SER A 21 3.607 -10.423 -7.230 1.00 0.00 N ATOM 344 CA SER A 21 2.800 -10.239 -6.016 1.00 0.00 C ATOM 345 C SER A 21 2.686 -11.553 -5.232 1.00 0.00 C ATOM 346 O SER A 21 2.732 -11.554 -4.004 1.00 0.00 O ATOM 347 CB SER A 21 1.423 -9.715 -6.377 1.00 0.00 C ATOM 348 OG SER A 21 1.477 -8.428 -6.926 1.00 0.00 O ATOM 0 H SER A 21 3.061 -10.464 -8.090 1.00 0.00 H new ATOM 0 HA SER A 21 3.298 -9.507 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.953 -10.393 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.795 -9.703 -5.486 1.00 0.00 H new ATOM 0 HG SER A 21 1.668 -8.489 -7.885 1.00 0.00 H new ATOM 354 N GLN A 22 2.517 -12.669 -5.954 1.00 0.00 N ATOM 355 CA GLN A 22 2.533 -14.008 -5.338 1.00 0.00 C ATOM 356 C GLN A 22 3.747 -14.177 -4.406 1.00 0.00 C ATOM 357 O GLN A 22 3.608 -14.516 -3.227 1.00 0.00 O ATOM 358 CB GLN A 22 2.555 -15.095 -6.417 1.00 0.00 C ATOM 359 CG GLN A 22 2.660 -16.510 -5.873 1.00 0.00 C ATOM 360 CD GLN A 22 2.838 -17.539 -6.973 1.00 0.00 C ATOM 361 OE1 GLN A 22 3.031 -17.193 -8.141 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.771 -18.814 -6.604 1.00 0.00 N ATOM 0 H GLN A 22 2.368 -12.674 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 22 1.624 -14.110 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.648 -15.015 -7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.396 -14.911 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.502 -16.570 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.762 -16.744 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.610 -19.054 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.881 -19.552 -7.299 1.00 0.00 H new ATOM 371 N VAL A 23 4.941 -13.944 -4.944 1.00 0.00 N ATOM 372 CA VAL A 23 6.174 -14.048 -4.163 1.00 0.00 C ATOM 373 C VAL A 23 7.236 -13.046 -4.649 1.00 0.00 C ATOM 374 O VAL A 23 7.515 -12.930 -5.842 1.00 0.00 O ATOM 375 CB VAL A 23 6.758 -15.472 -4.225 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.120 -15.837 -5.658 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.978 -15.589 -3.324 1.00 0.00 C ATOM 0 H VAL A 23 5.083 -13.681 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 23 5.911 -13.814 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 23 5.999 -16.170 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.531 -16.846 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.227 -15.793 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.862 -15.133 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.377 -16.602 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.740 -14.880 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.693 -15.369 -2.295 1.00 0.00 H new ATOM 387 N TYR A 24 7.828 -12.326 -3.699 1.00 0.00 N ATOM 388 CA TYR A 24 8.837 -11.301 -4.002 1.00 0.00 C ATOM 389 C TYR A 24 10.273 -11.849 -3.857 1.00 0.00 C ATOM 390 O TYR A 24 11.200 -11.100 -3.543 1.00 0.00 O ATOM 391 CB TYR A 24 8.645 -10.086 -3.092 1.00 0.00 C ATOM 392 CG TYR A 24 8.702 -10.411 -1.616 1.00 0.00 C ATOM 393 CD1 TYR A 24 7.560 -10.800 -0.930 1.00 0.00 C ATOM 394 CD2 TYR A 24 9.893 -10.328 -0.912 1.00 0.00 C ATOM 395 CE1 TYR A 24 7.604 -11.097 0.419 1.00 0.00 C ATOM 396 CE2 TYR A 24 9.950 -10.624 0.436 1.00 0.00 C ATOM 397 CZ TYR A 24 8.802 -11.009 1.099 1.00 0.00 C ATOM 398 OH TYR A 24 8.851 -11.304 2.442 1.00 0.00 O ATOM 0 H TYR A 24 7.628 -12.431 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 24 8.700 -11.001 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.413 -9.348 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.683 -9.625 -3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.621 -10.872 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.793 -10.026 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.706 -11.396 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.887 -10.555 0.968 1.00 0.00 H new ATOM 0 HH TYR A 24 8.759 -12.271 2.568 1.00 0.00 H new ATOM 408 N GLY A 25 10.453 -13.147 -4.096 1.00 0.00 N ATOM 409 CA GLY A 25 11.745 -13.789 -3.851 1.00 0.00 C ATOM 410 C GLY A 25 12.553 -14.111 -5.108 1.00 0.00 C ATOM 411 O GLY A 25 12.651 -13.295 -6.027 1.00 0.00 O ATOM 0 H GLY A 25 9.730 -13.770 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.341 -13.139 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.576 -14.713 -3.299 1.00 0.00 H new ATOM 415 N ASP A 26 13.138 -15.311 -5.133 1.00 0.00 N ATOM 416 CA ASP A 26 13.997 -15.762 -6.236 1.00 0.00 C ATOM 417 C ASP A 26 13.288 -15.726 -7.609 1.00 0.00 C ATOM 418 O ASP A 26 12.112 -16.080 -7.726 1.00 0.00 O ATOM 419 CB ASP A 26 14.508 -17.176 -5.953 1.00 0.00 C ATOM 420 CG ASP A 26 15.581 -17.253 -4.875 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.219 -16.257 -4.628 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.649 -18.253 -4.203 1.00 0.00 O ATOM 0 H ASP A 26 13.031 -16.000 -4.389 1.00 0.00 H new ATOM 0 HA ASP A 26 14.832 -15.063 -6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.666 -17.801 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.907 -17.597 -6.876 1.00 0.00 H new ATOM 427 N PRO A 27 14.018 -15.301 -8.668 1.00 0.00 N ATOM 428 CA PRO A 27 13.466 -15.140 -10.030 1.00 0.00 C ATOM 429 C PRO A 27 12.710 -16.371 -10.554 1.00 0.00 C ATOM 430 O PRO A 27 11.637 -16.239 -11.145 1.00 0.00 O ATOM 431 CB PRO A 27 14.703 -14.839 -10.882 1.00 0.00 C ATOM 432 CG PRO A 27 15.630 -14.130 -9.955 1.00 0.00 C ATOM 433 CD PRO A 27 15.440 -14.794 -8.617 1.00 0.00 C ATOM 0 HA PRO A 27 12.709 -14.356 -10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.151 -15.754 -11.269 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.451 -14.219 -11.743 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.663 -14.214 -10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.397 -13.067 -9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.150 -15.608 -8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.585 -14.091 -7.797 1.00 0.00 H new ATOM 441 N LEU A 28 13.275 -17.559 -10.328 1.00 0.00 N ATOM 442 CA LEU A 28 12.743 -18.813 -10.890 1.00 0.00 C ATOM 443 C LEU A 28 11.337 -19.126 -10.345 1.00 0.00 C ATOM 444 O LEU A 28 10.534 -19.775 -11.018 1.00 0.00 O ATOM 445 CB LEU A 28 13.699 -19.975 -10.590 1.00 0.00 C ATOM 446 CG LEU A 28 15.037 -19.928 -11.339 1.00 0.00 C ATOM 447 CD1 LEU A 28 15.949 -21.046 -10.850 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.787 -20.052 -12.834 1.00 0.00 C ATOM 0 H LEU A 28 14.109 -17.684 -9.755 1.00 0.00 H new ATOM 0 HA LEU A 28 12.660 -18.686 -11.969 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.901 -19.992 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.196 -20.911 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 28 15.530 -18.976 -11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.896 -21.004 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.132 -20.925 -9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.472 -22.009 -11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.738 -20.019 -13.366 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.288 -20.998 -13.042 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.156 -19.228 -13.167 1.00 0.00 H new ATOM 460 N ALA A 29 11.046 -18.638 -9.142 1.00 0.00 N ATOM 461 CA ALA A 29 9.753 -18.875 -8.495 1.00 0.00 C ATOM 462 C ALA A 29 8.572 -18.334 -9.330 1.00 0.00 C ATOM 463 O ALA A 29 7.788 -19.106 -9.883 1.00 0.00 O ATOM 464 CB ALA A 29 9.750 -18.259 -7.101 1.00 0.00 C ATOM 0 H ALA A 29 11.691 -18.072 -8.590 1.00 0.00 H new ATOM 0 HA ALA A 29 9.617 -19.954 -8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.786 -18.439 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.540 -18.711 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.922 -17.185 -7.177 1.00 0.00 H new ATOM 470 N TYR A 30 8.468 -17.008 -9.442 1.00 0.00 N ATOM 471 CA TYR A 30 7.377 -16.390 -10.208 1.00 0.00 C ATOM 472 C TYR A 30 7.598 -16.501 -11.728 1.00 0.00 C ATOM 473 O TYR A 30 6.654 -16.379 -12.505 1.00 0.00 O ATOM 474 CB TYR A 30 7.220 -14.921 -9.812 1.00 0.00 C ATOM 475 CG TYR A 30 8.483 -14.103 -9.974 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.823 -13.553 -11.201 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.332 -13.885 -8.900 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.975 -12.807 -11.356 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.486 -13.139 -9.042 1.00 0.00 C ATOM 480 CZ TYR A 30 10.805 -12.602 -10.273 1.00 0.00 C ATOM 481 OH TYR A 30 11.953 -11.859 -10.420 1.00 0.00 O ATOM 0 H TYR A 30 9.117 -16.345 -9.018 1.00 0.00 H new ATOM 0 HA TYR A 30 6.464 -16.935 -9.967 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.430 -14.475 -10.416 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.895 -14.868 -8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.175 -13.711 -12.051 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.087 -14.306 -7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.225 -12.387 -12.319 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.135 -12.977 -8.194 1.00 0.00 H new ATOM 0 HH TYR A 30 12.423 -11.810 -9.562 1.00 0.00 H new ATOM 491 N LEU A 31 8.843 -16.730 -12.147 1.00 0.00 N ATOM 492 CA LEU A 31 9.145 -16.974 -13.566 1.00 0.00 C ATOM 493 C LEU A 31 8.498 -18.281 -14.054 1.00 0.00 C ATOM 494 O LEU A 31 7.764 -18.296 -15.049 1.00 0.00 O ATOM 495 CB LEU A 31 10.663 -17.015 -13.784 1.00 0.00 C ATOM 496 CG LEU A 31 11.107 -17.313 -15.222 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.608 -16.223 -16.160 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.625 -17.417 -15.274 1.00 0.00 C ATOM 0 H LEU A 31 9.657 -16.753 -11.532 1.00 0.00 H new ATOM 0 HA LEU A 31 8.726 -16.154 -14.149 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.084 -16.056 -13.482 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.089 -17.772 -13.125 1.00 0.00 H new ATOM 0 HG LEU A 31 10.679 -18.262 -15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.929 -16.444 -17.178 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.519 -16.182 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.018 -15.261 -15.851 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.940 -17.629 -16.296 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.066 -16.476 -14.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.957 -18.221 -14.618 1.00 0.00 H new ATOM 510 N GLN A 32 8.757 -19.375 -13.338 1.00 0.00 N ATOM 511 CA GLN A 32 8.222 -20.682 -13.720 1.00 0.00 C ATOM 512 C GLN A 32 6.703 -20.739 -13.521 1.00 0.00 C ATOM 513 O GLN A 32 5.998 -21.377 -14.297 1.00 0.00 O ATOM 514 CB GLN A 32 8.893 -21.794 -12.908 1.00 0.00 C ATOM 515 CG GLN A 32 10.372 -21.976 -13.205 1.00 0.00 C ATOM 516 CD GLN A 32 10.638 -22.237 -14.676 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.952 -23.041 -15.313 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.641 -21.560 -15.223 1.00 0.00 N ATOM 0 H GLN A 32 9.331 -19.383 -12.495 1.00 0.00 H new ATOM 0 HA GLN A 32 8.437 -20.832 -14.778 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.771 -21.578 -11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.376 -22.734 -13.103 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.915 -21.084 -12.893 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.759 -22.807 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.182 -20.905 -14.658 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.870 -21.695 -16.208 1.00 0.00 H new ATOM 527 N GLU A 33 6.199 -20.055 -12.493 1.00 0.00 N ATOM 528 CA GLU A 33 4.749 -19.961 -12.270 1.00 0.00 C ATOM 529 C GLU A 33 4.070 -19.135 -13.384 1.00 0.00 C ATOM 530 O GLU A 33 2.962 -19.451 -13.817 1.00 0.00 O ATOM 531 CB GLU A 33 4.458 -19.345 -10.900 1.00 0.00 C ATOM 532 CG GLU A 33 3.038 -19.567 -10.400 1.00 0.00 C ATOM 533 CD GLU A 33 2.894 -20.910 -9.741 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.082 -21.900 -10.407 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.707 -20.947 -8.548 1.00 0.00 O ATOM 0 H GLU A 33 6.766 -19.560 -11.804 1.00 0.00 H new ATOM 0 HA GLU A 33 4.337 -20.970 -12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.155 -19.761 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.650 -18.273 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.773 -18.782 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.341 -19.492 -11.234 1.00 0.00 H new ATOM 542 N THR A 34 4.755 -18.093 -13.865 1.00 0.00 N ATOM 543 CA THR A 34 4.241 -17.270 -14.977 1.00 0.00 C ATOM 544 C THR A 34 4.121 -18.088 -16.273 1.00 0.00 C ATOM 545 O THR A 34 3.162 -17.938 -17.034 1.00 0.00 O ATOM 546 CB THR A 34 5.141 -16.049 -15.241 1.00 0.00 C ATOM 547 OG1 THR A 34 5.147 -15.198 -14.086 1.00 0.00 O ATOM 548 CG2 THR A 34 4.638 -15.263 -16.443 1.00 0.00 C ATOM 0 H THR A 34 5.663 -17.796 -13.507 1.00 0.00 H new ATOM 0 HA THR A 34 3.252 -16.927 -14.675 1.00 0.00 H new ATOM 0 HB THR A 34 6.152 -16.400 -15.448 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.975 -15.338 -13.581 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.287 -14.404 -16.614 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.644 -15.903 -17.325 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.622 -14.918 -16.253 1.00 0.00 H new ATOM 556 N THR A 35 5.108 -18.943 -16.520 1.00 0.00 N ATOM 557 CA THR A 35 5.175 -19.720 -17.770 1.00 0.00 C ATOM 558 C THR A 35 4.414 -21.060 -17.672 1.00 0.00 C ATOM 559 O THR A 35 3.975 -21.613 -18.688 1.00 0.00 O ATOM 560 CB THR A 35 6.636 -20.007 -18.168 1.00 0.00 C ATOM 561 OG1 THR A 35 7.273 -20.771 -17.136 1.00 0.00 O ATOM 562 CG2 THR A 35 7.396 -18.706 -18.376 1.00 0.00 C ATOM 0 H THR A 35 5.878 -19.121 -15.875 1.00 0.00 H new ATOM 0 HA THR A 35 4.697 -19.105 -18.533 1.00 0.00 H new ATOM 0 HB THR A 35 6.640 -20.571 -19.101 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.660 -20.873 -16.379 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.426 -18.927 -18.657 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.920 -18.129 -19.169 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.388 -18.128 -17.452 1.00 0.00 H new ATOM 570 N LYS A 36 4.235 -21.574 -16.454 1.00 0.00 N ATOM 571 CA LYS A 36 3.572 -22.872 -16.251 1.00 0.00 C ATOM 572 C LYS A 36 2.292 -22.767 -15.387 1.00 0.00 C ATOM 573 O LYS A 36 1.263 -23.362 -15.724 1.00 0.00 O ATOM 574 CB LYS A 36 4.548 -23.861 -15.612 1.00 0.00 C ATOM 575 CG LYS A 36 5.820 -24.097 -16.416 1.00 0.00 C ATOM 576 CD LYS A 36 5.528 -24.849 -17.706 1.00 0.00 C ATOM 577 CE LYS A 36 6.802 -25.117 -18.492 1.00 0.00 C ATOM 578 NZ LYS A 36 6.523 -25.787 -19.792 1.00 0.00 N ATOM 0 H LYS A 36 4.537 -21.117 -15.594 1.00 0.00 H new ATOM 0 HA LYS A 36 3.265 -23.228 -17.234 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.821 -23.495 -14.622 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.040 -24.815 -15.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.288 -23.141 -16.648 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.532 -24.663 -15.816 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.036 -25.794 -17.475 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.836 -24.270 -18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.321 -24.176 -18.673 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.470 -25.741 -17.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.417 -25.952 -20.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.050 -26.697 -19.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.906 -25.181 -20.370 1.00 0.00 H new ATOM 592 N PHE A 37 2.379 -22.035 -14.268 1.00 0.00 N ATOM 593 CA PHE A 37 1.273 -21.906 -13.289 1.00 0.00 C ATOM 594 C PHE A 37 1.150 -23.171 -12.405 1.00 0.00 C ATOM 595 O PHE A 37 0.348 -23.227 -11.465 1.00 0.00 O ATOM 596 CB PHE A 37 -0.061 -21.589 -14.006 1.00 0.00 C ATOM 597 CG PHE A 37 -1.194 -21.196 -13.083 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.345 -19.878 -12.676 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.109 -22.137 -12.631 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.379 -19.508 -11.838 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.146 -21.771 -11.793 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.281 -20.456 -11.396 1.00 0.00 C ATOM 0 H PHE A 37 3.216 -21.512 -14.009 1.00 0.00 H new ATOM 0 HA PHE A 37 1.507 -21.071 -12.629 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.107 -20.781 -14.718 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.365 -22.463 -14.582 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.644 -19.131 -13.019 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.010 -23.168 -12.938 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.482 -18.478 -11.529 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.850 -22.514 -11.449 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.090 -20.169 -10.741 1.00 0.00 H new ATOM 612 N VAL A 38 1.982 -24.173 -12.694 1.00 0.00 N ATOM 613 CA VAL A 38 1.885 -25.502 -12.072 1.00 0.00 C ATOM 614 C VAL A 38 3.278 -26.041 -11.688 1.00 0.00 C ATOM 615 O VAL A 38 4.298 -25.419 -11.981 1.00 0.00 O ATOM 616 CB VAL A 38 1.191 -26.513 -13.005 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.236 -26.075 -13.297 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.974 -26.667 -14.300 1.00 0.00 C ATOM 0 H VAL A 38 2.744 -24.089 -13.366 1.00 0.00 H new ATOM 0 HA VAL A 38 1.285 -25.384 -11.170 1.00 0.00 H new ATOM 0 HB VAL A 38 1.160 -27.480 -12.503 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.711 -26.800 -13.957 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.796 -26.013 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.225 -25.098 -13.780 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.470 -27.385 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.035 -25.703 -14.805 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.980 -27.024 -14.077 1.00 0.00 H new ATOM 628 N THR A 39 3.319 -27.207 -11.045 1.00 0.00 N ATOM 629 CA THR A 39 4.600 -27.814 -10.646 1.00 0.00 C ATOM 630 C THR A 39 5.587 -27.955 -11.825 1.00 0.00 C ATOM 631 O THR A 39 5.270 -28.523 -12.870 1.00 0.00 O ATOM 632 CB THR A 39 4.381 -29.202 -10.016 1.00 0.00 C ATOM 633 OG1 THR A 39 3.496 -29.086 -8.894 1.00 0.00 O ATOM 634 CG2 THR A 39 5.704 -29.794 -9.554 1.00 0.00 C ATOM 0 H THR A 39 2.494 -27.749 -10.789 1.00 0.00 H new ATOM 0 HA THR A 39 5.036 -27.135 -9.914 1.00 0.00 H new ATOM 0 HB THR A 39 3.943 -29.860 -10.767 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.620 -28.771 -9.200 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.529 -30.775 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.375 -29.895 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.157 -29.137 -8.812 1.00 0.00 H new ATOM 642 N GLU A 40 6.784 -27.396 -11.651 1.00 0.00 N ATOM 643 CA GLU A 40 7.847 -27.467 -12.668 1.00 0.00 C ATOM 644 C GLU A 40 9.212 -27.778 -12.024 1.00 0.00 C ATOM 645 O GLU A 40 9.492 -27.339 -10.910 1.00 0.00 O ATOM 646 CB GLU A 40 7.923 -26.156 -13.455 1.00 0.00 C ATOM 647 CG GLU A 40 8.913 -26.175 -14.611 1.00 0.00 C ATOM 648 CD GLU A 40 8.708 -27.379 -15.487 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.699 -27.445 -16.146 1.00 0.00 O ATOM 650 OE2 GLU A 40 9.610 -28.179 -15.584 1.00 0.00 O ATOM 0 H GLU A 40 7.049 -26.884 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 40 7.600 -28.278 -13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.932 -25.922 -13.844 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.195 -25.351 -12.772 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.800 -25.268 -15.204 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.931 -26.176 -14.221 1.00 0.00 H new ATOM 657 N ARG A 41 10.068 -28.527 -12.727 1.00 0.00 N ATOM 658 CA ARG A 41 11.345 -28.970 -12.153 1.00 0.00 C ATOM 659 C ARG A 41 12.071 -27.805 -11.466 1.00 0.00 C ATOM 660 O ARG A 41 12.342 -27.850 -10.270 1.00 0.00 O ATOM 661 CB ARG A 41 12.232 -29.655 -13.182 1.00 0.00 C ATOM 662 CG ARG A 41 13.595 -30.089 -12.663 1.00 0.00 C ATOM 663 CD ARG A 41 14.468 -30.717 -13.688 1.00 0.00 C ATOM 664 NE ARG A 41 15.860 -30.852 -13.292 1.00 0.00 N ATOM 665 CZ ARG A 41 16.821 -31.414 -14.051 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.538 -31.930 -15.227 1.00 0.00 N ATOM 667 NH2 ARG A 41 18.051 -31.457 -13.572 1.00 0.00 N ATOM 0 H ARG A 41 9.903 -28.837 -13.685 1.00 0.00 H new ATOM 0 HA ARG A 41 11.117 -29.718 -11.394 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.709 -30.531 -13.566 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.378 -28.977 -14.023 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.107 -29.220 -12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.451 -30.794 -11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.074 -31.705 -13.927 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.419 -30.124 -14.602 1.00 0.00 H new ATOM 0 HE ARG A 41 16.128 -30.496 -12.375 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.580 -31.908 -15.576 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.277 -32.352 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.253 -31.071 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.799 -31.876 -14.124 1.00 0.00 H new ATOM 681 N GLU A 42 12.346 -26.746 -12.223 1.00 0.00 N ATOM 682 CA GLU A 42 13.121 -25.606 -11.716 1.00 0.00 C ATOM 683 C GLU A 42 12.364 -24.877 -10.586 1.00 0.00 C ATOM 684 O GLU A 42 12.964 -24.234 -9.728 1.00 0.00 O ATOM 685 CB GLU A 42 13.444 -24.632 -12.851 1.00 0.00 C ATOM 686 CG GLU A 42 14.462 -25.151 -13.855 1.00 0.00 C ATOM 687 CD GLU A 42 14.689 -24.163 -14.966 1.00 0.00 C ATOM 688 OE1 GLU A 42 14.042 -23.143 -14.968 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.585 -24.373 -15.748 1.00 0.00 O ATOM 0 H GLU A 42 12.045 -26.649 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 42 14.055 -25.991 -11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.522 -24.390 -13.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.818 -23.703 -12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.405 -25.353 -13.348 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.115 -26.096 -14.272 1.00 0.00 H new ATOM 696 N TYR A 43 11.039 -25.003 -10.602 1.00 0.00 N ATOM 697 CA TYR A 43 10.161 -24.386 -9.597 1.00 0.00 C ATOM 698 C TYR A 43 10.342 -25.023 -8.206 1.00 0.00 C ATOM 699 O TYR A 43 10.155 -24.358 -7.188 1.00 0.00 O ATOM 700 CB TYR A 43 8.698 -24.494 -10.035 1.00 0.00 C ATOM 701 CG TYR A 43 7.760 -23.590 -9.268 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.241 -22.495 -8.565 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.394 -23.833 -9.251 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.388 -21.666 -7.862 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.532 -23.010 -8.551 1.00 0.00 C ATOM 706 CZ TYR A 43 6.033 -21.928 -7.858 1.00 0.00 C ATOM 707 OH TYR A 43 5.178 -21.105 -7.161 1.00 0.00 O ATOM 0 H TYR A 43 10.538 -25.536 -11.312 1.00 0.00 H new ATOM 0 HA TYR A 43 10.441 -23.335 -9.519 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.628 -24.257 -11.097 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.369 -25.526 -9.917 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.301 -22.287 -8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.998 -24.679 -9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.779 -20.818 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.471 -23.213 -8.547 1.00 0.00 H new ATOM 0 HH TYR A 43 4.307 -21.082 -7.610 1.00 0.00 H new ATOM 717 N TYR A 44 10.702 -26.312 -8.160 1.00 0.00 N ATOM 718 CA TYR A 44 10.984 -26.980 -6.872 1.00 0.00 C ATOM 719 C TYR A 44 12.399 -27.591 -6.790 1.00 0.00 C ATOM 720 O TYR A 44 12.757 -28.173 -5.770 1.00 0.00 O ATOM 721 CB TYR A 44 9.942 -28.070 -6.615 1.00 0.00 C ATOM 722 CG TYR A 44 10.019 -29.232 -7.581 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.947 -30.248 -7.401 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.162 -29.311 -8.668 1.00 0.00 C ATOM 725 CE1 TYR A 44 11.023 -31.311 -8.279 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.228 -30.370 -9.553 1.00 0.00 C ATOM 727 CZ TYR A 44 10.160 -31.368 -9.355 1.00 0.00 C ATOM 728 OH TYR A 44 10.229 -32.425 -10.233 1.00 0.00 O ATOM 0 H TYR A 44 10.805 -26.909 -8.981 1.00 0.00 H new ATOM 0 HA TYR A 44 10.931 -26.207 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.067 -28.446 -5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.947 -27.628 -6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.622 -30.207 -6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.431 -28.532 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.752 -32.092 -8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.554 -30.416 -10.395 1.00 0.00 H new ATOM 0 HH TYR A 44 9.552 -32.314 -10.933 1.00 0.00 H new ATOM 738 N GLU A 45 13.197 -27.458 -7.851 1.00 0.00 N ATOM 739 CA GLU A 45 14.571 -28.002 -7.869 1.00 0.00 C ATOM 740 C GLU A 45 15.516 -27.250 -6.908 1.00 0.00 C ATOM 741 O GLU A 45 16.225 -27.866 -6.110 1.00 0.00 O ATOM 742 CB GLU A 45 15.136 -27.958 -9.290 1.00 0.00 C ATOM 743 CG GLU A 45 16.568 -28.461 -9.413 1.00 0.00 C ATOM 744 CD GLU A 45 16.982 -28.583 -10.853 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.940 -27.597 -11.550 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.447 -29.633 -11.230 1.00 0.00 O ATOM 0 H GLU A 45 12.924 -26.981 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 45 14.510 -29.035 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.497 -28.555 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.092 -26.932 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.241 -27.778 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.659 -29.430 -8.923 1.00 0.00 H new ATOM 753 N ASP A 46 15.532 -25.923 -6.994 1.00 0.00 N ATOM 754 CA ASP A 46 16.337 -25.106 -6.076 1.00 0.00 C ATOM 755 C ASP A 46 15.481 -24.486 -4.959 1.00 0.00 C ATOM 756 O ASP A 46 15.904 -23.536 -4.288 1.00 0.00 O ATOM 757 CB ASP A 46 17.067 -24.004 -6.848 1.00 0.00 C ATOM 758 CG ASP A 46 18.090 -24.513 -7.855 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.869 -25.365 -7.500 1.00 0.00 O ATOM 760 OD2 ASP A 46 17.985 -24.164 -9.006 1.00 0.00 O ATOM 0 H ASP A 46 15.003 -25.389 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 46 17.067 -25.766 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.330 -23.396 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.571 -23.351 -6.136 1.00 0.00 H new ATOM 765 N PHE A 47 14.288 -25.032 -4.752 1.00 0.00 N ATOM 766 CA PHE A 47 13.347 -24.494 -3.766 1.00 0.00 C ATOM 767 C PHE A 47 12.927 -25.551 -2.727 1.00 0.00 C ATOM 768 O PHE A 47 13.050 -26.756 -2.954 1.00 0.00 O ATOM 769 CB PHE A 47 12.111 -23.934 -4.471 1.00 0.00 C ATOM 770 CG PHE A 47 12.396 -22.741 -5.337 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.810 -22.903 -6.652 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.253 -21.454 -4.842 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.074 -21.806 -7.450 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.514 -20.356 -5.638 1.00 0.00 C ATOM 775 CZ PHE A 47 12.925 -20.533 -6.944 1.00 0.00 C ATOM 0 H PHE A 47 13.945 -25.851 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 47 13.858 -23.694 -3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.667 -24.718 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.370 -23.658 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.927 -23.898 -7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.933 -21.308 -3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.397 -21.947 -8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.397 -19.359 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.129 -19.675 -7.568 1.00 0.00 H new ATOM 785 N GLY A 48 12.423 -25.090 -1.584 1.00 0.00 N ATOM 786 CA GLY A 48 11.929 -26.005 -0.559 1.00 0.00 C ATOM 787 C GLY A 48 11.925 -25.405 0.843 1.00 0.00 C ATOM 788 O GLY A 48 11.037 -25.691 1.647 1.00 0.00 O ATOM 0 H GLY A 48 12.347 -24.101 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.916 -26.313 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.545 -26.904 -0.559 1.00 0.00 H new ATOM 792 N TYR A 49 12.914 -24.567 1.139 1.00 0.00 N ATOM 793 CA TYR A 49 12.992 -23.896 2.447 1.00 0.00 C ATOM 794 C TYR A 49 13.199 -22.382 2.298 1.00 0.00 C ATOM 795 O TYR A 49 13.974 -21.932 1.458 1.00 0.00 O ATOM 796 CB TYR A 49 14.120 -24.506 3.292 1.00 0.00 C ATOM 797 CG TYR A 49 13.790 -25.885 3.842 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.071 -27.039 3.113 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.190 -26.030 5.089 1.00 0.00 C ATOM 800 CE1 TYR A 49 13.765 -28.293 3.613 1.00 0.00 C ATOM 801 CE2 TYR A 49 12.882 -27.279 5.593 1.00 0.00 C ATOM 802 CZ TYR A 49 13.169 -28.406 4.851 1.00 0.00 C ATOM 803 OH TYR A 49 12.860 -29.650 5.353 1.00 0.00 O ATOM 0 H TYR A 49 13.673 -24.332 0.499 1.00 0.00 H new ATOM 0 HA TYR A 49 12.040 -24.051 2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.023 -24.573 2.685 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.343 -23.836 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.535 -26.954 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.961 -25.151 5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.992 -29.178 3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.418 -27.373 6.564 1.00 0.00 H new ATOM 0 HH TYR A 49 13.439 -30.323 4.938 1.00 0.00 H new ATOM 813 N GLY A 50 12.506 -21.607 3.131 1.00 0.00 N ATOM 814 CA GLY A 50 12.637 -20.151 3.107 1.00 0.00 C ATOM 815 C GLY A 50 11.301 -19.452 3.330 1.00 0.00 C ATOM 816 O GLY A 50 10.366 -20.066 3.840 1.00 0.00 O ATOM 0 H GLY A 50 11.851 -21.961 3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.342 -19.838 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.053 -19.840 2.148 1.00 0.00 H new ATOM 820 N GLU A 51 11.209 -18.177 2.941 1.00 0.00 N ATOM 821 CA GLU A 51 9.950 -17.410 3.041 1.00 0.00 C ATOM 822 C GLU A 51 8.827 -18.055 2.219 1.00 0.00 C ATOM 823 O GLU A 51 7.788 -18.429 2.752 1.00 0.00 O ATOM 824 CB GLU A 51 10.165 -15.965 2.583 1.00 0.00 C ATOM 825 CG GLU A 51 10.575 -15.008 3.693 1.00 0.00 C ATOM 826 CD GLU A 51 9.376 -14.481 4.430 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.197 -14.840 5.569 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.699 -13.634 3.895 1.00 0.00 O ATOM 0 H GLU A 51 11.989 -17.648 2.552 1.00 0.00 H new ATOM 0 HA GLU A 51 9.648 -17.415 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.931 -15.953 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.244 -15.600 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.238 -15.520 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.139 -14.177 3.270 1.00 0.00 H new ATOM 835 N CYS A 52 9.050 -18.172 0.917 1.00 0.00 N ATOM 836 CA CYS A 52 8.225 -19.023 0.058 1.00 0.00 C ATOM 837 C CYS A 52 9.113 -20.051 -0.656 1.00 0.00 C ATOM 838 O CYS A 52 9.208 -20.062 -1.882 1.00 0.00 O ATOM 839 CB CYS A 52 7.627 -18.032 -0.940 1.00 0.00 C ATOM 840 SG CYS A 52 6.589 -16.752 -0.193 1.00 0.00 S ATOM 0 H CYS A 52 9.800 -17.686 0.426 1.00 0.00 H new ATOM 0 HA CYS A 52 7.465 -19.590 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.438 -17.551 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.034 -18.583 -1.670 1.00 0.00 H new ATOM 0 HG CYS A 52 7.300 -16.046 0.635 1.00 0.00 H new ATOM 846 N PHE A 53 9.803 -20.884 0.134 1.00 0.00 N ATOM 847 CA PHE A 53 10.727 -21.906 -0.402 1.00 0.00 C ATOM 848 C PHE A 53 11.979 -21.280 -1.054 1.00 0.00 C ATOM 849 O PHE A 53 12.775 -21.983 -1.680 1.00 0.00 O ATOM 850 CB PHE A 53 10.015 -22.808 -1.431 1.00 0.00 C ATOM 851 CG PHE A 53 8.916 -23.692 -0.881 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.531 -23.625 0.449 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.256 -24.591 -1.715 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.521 -24.433 0.932 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.247 -25.396 -1.233 1.00 0.00 C ATOM 856 CZ PHE A 53 6.879 -25.317 0.091 1.00 0.00 C ATOM 0 H PHE A 53 9.742 -20.874 1.152 1.00 0.00 H new ATOM 0 HA PHE A 53 11.050 -22.506 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.591 -22.174 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.762 -23.443 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.026 -22.933 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.539 -24.658 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.233 -24.372 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.745 -26.088 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.088 -25.947 0.471 1.00 0.00 H new ATOM 866 N ASN A 54 12.163 -19.972 -0.883 1.00 0.00 N ATOM 867 CA ASN A 54 13.203 -19.234 -1.609 1.00 0.00 C ATOM 868 C ASN A 54 14.422 -18.910 -0.722 1.00 0.00 C ATOM 869 O ASN A 54 14.425 -19.180 0.478 1.00 0.00 O ATOM 870 CB ASN A 54 12.645 -17.958 -2.211 1.00 0.00 C ATOM 871 CG ASN A 54 12.210 -16.946 -1.188 1.00 0.00 C ATOM 872 OD1 ASN A 54 12.963 -16.598 -0.271 1.00 0.00 O ATOM 873 ND2 ASN A 54 10.972 -16.535 -1.291 1.00 0.00 N ATOM 0 H ASN A 54 11.607 -19.399 -0.249 1.00 0.00 H new ATOM 0 HA ASN A 54 13.544 -19.888 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.402 -17.509 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.795 -18.208 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.587 -15.897 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.392 -16.852 -2.068 1.00 0.00 H new ATOM 880 N SER A 55 15.451 -18.313 -1.331 1.00 0.00 N ATOM 881 CA SER A 55 16.684 -17.939 -0.613 1.00 0.00 C ATOM 882 C SER A 55 16.866 -16.412 -0.590 1.00 0.00 C ATOM 883 O SER A 55 17.973 -15.898 -0.758 1.00 0.00 O ATOM 884 CB SER A 55 17.887 -18.604 -1.254 1.00 0.00 C ATOM 885 OG SER A 55 18.002 -18.287 -2.613 1.00 0.00 O ATOM 0 H SER A 55 15.459 -18.076 -2.323 1.00 0.00 H new ATOM 0 HA SER A 55 16.597 -18.285 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.793 -18.295 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.807 -19.685 -1.140 1.00 0.00 H new ATOM 0 HG SER A 55 17.147 -18.454 -3.061 1.00 0.00 H new ATOM 891 N THR A 56 15.758 -15.702 -0.400 1.00 0.00 N ATOM 892 CA THR A 56 15.755 -14.240 -0.252 1.00 0.00 C ATOM 893 C THR A 56 15.315 -13.790 1.154 1.00 0.00 C ATOM 894 O THR A 56 14.726 -14.562 1.910 1.00 0.00 O ATOM 895 CB THR A 56 14.834 -13.578 -1.296 1.00 0.00 C ATOM 896 OG1 THR A 56 13.474 -13.958 -1.046 1.00 0.00 O ATOM 897 CG2 THR A 56 15.227 -14.008 -2.701 1.00 0.00 C ATOM 0 H THR A 56 14.830 -16.121 -0.343 1.00 0.00 H new ATOM 0 HA THR A 56 16.785 -13.920 -0.410 1.00 0.00 H new ATOM 0 HB THR A 56 14.936 -12.496 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.452 -14.854 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.567 -13.531 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.257 -13.710 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.140 -15.091 -2.788 1.00 0.00 H new ATOM 905 N GLU A 57 15.601 -12.527 1.487 1.00 0.00 N ATOM 906 CA GLU A 57 15.338 -11.976 2.828 1.00 0.00 C ATOM 907 C GLU A 57 13.836 -11.782 3.131 1.00 0.00 C ATOM 908 O GLU A 57 13.091 -11.206 2.330 1.00 0.00 O ATOM 909 CB GLU A 57 16.071 -10.643 2.992 1.00 0.00 C ATOM 910 CG GLU A 57 15.953 -10.026 4.380 1.00 0.00 C ATOM 911 CD GLU A 57 16.749 -8.756 4.483 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.367 -8.383 3.514 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.650 -8.097 5.491 1.00 0.00 O ATOM 0 H GLU A 57 16.019 -11.858 0.841 1.00 0.00 H new ATOM 0 HA GLU A 57 15.709 -12.710 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.126 -10.792 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.682 -9.936 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.906 -9.820 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.302 -10.738 5.128 1.00 0.00 H new ATOM 920 N SER A 58 13.400 -12.285 4.285 1.00 0.00 N ATOM 921 CA SER A 58 12.033 -12.061 4.774 1.00 0.00 C ATOM 922 C SER A 58 11.733 -10.557 4.922 1.00 0.00 C ATOM 923 O SER A 58 12.429 -9.847 5.652 1.00 0.00 O ATOM 924 CB SER A 58 11.831 -12.773 6.096 1.00 0.00 C ATOM 925 OG SER A 58 10.525 -12.621 6.581 1.00 0.00 O ATOM 0 H SER A 58 13.975 -12.855 4.905 1.00 0.00 H new ATOM 0 HA SER A 58 11.338 -12.469 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.051 -13.834 5.974 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.537 -12.383 6.829 1.00 0.00 H new ATOM 0 HG SER A 58 10.326 -13.341 7.216 1.00 0.00 H new ATOM 931 N GLU A 59 10.685 -10.073 4.245 1.00 0.00 N ATOM 932 CA GLU A 59 10.265 -8.668 4.393 1.00 0.00 C ATOM 933 C GLU A 59 8.867 -8.512 5.029 1.00 0.00 C ATOM 934 O GLU A 59 8.648 -7.609 5.845 1.00 0.00 O ATOM 935 CB GLU A 59 10.290 -7.973 3.031 1.00 0.00 C ATOM 936 CG GLU A 59 11.676 -7.853 2.411 1.00 0.00 C ATOM 937 CD GLU A 59 11.610 -7.236 1.042 1.00 0.00 C ATOM 938 OE1 GLU A 59 10.526 -6.954 0.589 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.646 -6.942 0.494 1.00 0.00 O ATOM 0 H GLU A 59 10.118 -10.621 3.598 1.00 0.00 H new ATOM 0 HA GLU A 59 10.976 -8.200 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.645 -8.522 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.866 -6.975 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.314 -7.247 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.134 -8.840 2.346 1.00 0.00 H new ATOM 946 N VAL A 60 7.931 -9.396 4.683 1.00 0.00 N ATOM 947 CA VAL A 60 6.577 -9.357 5.264 1.00 0.00 C ATOM 948 C VAL A 60 6.191 -10.693 5.950 1.00 0.00 C ATOM 949 O VAL A 60 5.020 -10.946 6.249 1.00 0.00 O ATOM 950 CB VAL A 60 5.523 -9.023 4.192 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.737 -7.616 3.655 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.575 -10.037 3.059 1.00 0.00 C ATOM 0 H VAL A 60 8.078 -10.146 4.008 1.00 0.00 H new ATOM 0 HA VAL A 60 6.594 -8.573 6.021 1.00 0.00 H new ATOM 0 HB VAL A 60 4.536 -9.071 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.983 -7.397 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.652 -6.898 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.729 -7.543 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.823 -9.785 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.564 -10.020 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.375 -11.033 3.453 1.00 0.00 H new ATOM 962 N GLN A 61 7.204 -11.529 6.207 1.00 0.00 N ATOM 963 CA GLN A 61 7.066 -12.785 6.981 1.00 0.00 C ATOM 964 C GLN A 61 6.084 -13.796 6.354 1.00 0.00 C ATOM 965 O GLN A 61 5.182 -14.300 7.030 1.00 0.00 O ATOM 966 CB GLN A 61 6.613 -12.468 8.409 1.00 0.00 C ATOM 967 CG GLN A 61 7.604 -11.638 9.207 1.00 0.00 C ATOM 968 CD GLN A 61 7.099 -11.316 10.601 1.00 0.00 C ATOM 969 OE1 GLN A 61 6.024 -11.769 11.007 1.00 0.00 O ATOM 970 NE2 GLN A 61 7.869 -10.526 11.340 1.00 0.00 N ATOM 0 H GLN A 61 8.156 -11.358 5.883 1.00 0.00 H new ATOM 0 HA GLN A 61 8.050 -13.253 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.662 -11.937 8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.432 -13.404 8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.548 -12.177 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.808 -10.709 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.750 -10.175 10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.580 -10.270 12.284 1.00 0.00 H new ATOM 979 N CYS A 62 6.285 -14.133 5.080 1.00 0.00 N ATOM 980 CA CYS A 62 5.537 -15.232 4.451 1.00 0.00 C ATOM 981 C CYS A 62 5.830 -16.571 5.138 1.00 0.00 C ATOM 982 O CYS A 62 5.019 -17.496 5.080 1.00 0.00 O ATOM 983 CB CYS A 62 6.075 -15.235 3.021 1.00 0.00 C ATOM 984 SG CYS A 62 5.726 -13.726 2.085 1.00 0.00 S ATOM 0 H CYS A 62 6.952 -13.668 4.464 1.00 0.00 H new ATOM 0 HA CYS A 62 4.457 -15.101 4.513 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.154 -15.387 3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.649 -16.085 2.488 1.00 0.00 H new ATOM 0 HG CYS A 62 6.839 -13.228 1.635 1.00 0.00 H new ATOM 990 N GLU A 63 6.981 -16.665 5.815 1.00 0.00 N ATOM 991 CA GLU A 63 7.320 -17.869 6.594 1.00 0.00 C ATOM 992 C GLU A 63 6.167 -18.277 7.538 1.00 0.00 C ATOM 993 O GLU A 63 6.028 -19.444 7.911 1.00 0.00 O ATOM 994 CB GLU A 63 8.602 -17.638 7.398 1.00 0.00 C ATOM 995 CG GLU A 63 8.529 -16.478 8.380 1.00 0.00 C ATOM 996 CD GLU A 63 9.900 -15.971 8.730 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.695 -16.746 9.205 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.190 -14.840 8.418 1.00 0.00 O ATOM 0 H GLU A 63 7.689 -15.931 5.841 1.00 0.00 H new ATOM 0 HA GLU A 63 7.481 -18.685 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.841 -18.549 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.424 -17.460 6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.939 -15.669 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.015 -16.798 9.286 1.00 0.00 H new ATOM 1005 N LEU A 64 5.358 -17.301 7.930 1.00 0.00 N ATOM 1006 CA LEU A 64 4.231 -17.519 8.838 1.00 0.00 C ATOM 1007 C LEU A 64 2.946 -16.992 8.180 1.00 0.00 C ATOM 1008 O LEU A 64 2.118 -17.768 7.704 1.00 0.00 O ATOM 1009 CB LEU A 64 4.480 -16.832 10.186 1.00 0.00 C ATOM 1010 CG LEU A 64 3.351 -16.980 11.213 1.00 0.00 C ATOM 1011 CD1 LEU A 64 3.172 -18.446 11.583 1.00 0.00 C ATOM 1012 CD2 LEU A 64 3.672 -16.148 12.446 1.00 0.00 C ATOM 0 H LEU A 64 5.462 -16.332 7.628 1.00 0.00 H new ATOM 0 HA LEU A 64 4.122 -18.586 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.397 -17.235 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.651 -15.770 10.008 1.00 0.00 H new ATOM 0 HG LEU A 64 2.417 -16.620 10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.368 -18.542 12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.921 -19.019 10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.098 -18.829 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.869 -16.254 13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.608 -16.493 12.884 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.769 -15.100 12.163 1.00 0.00 H new ATOM 1024 N ILE A 65 2.807 -15.662 8.161 1.00 0.00 N ATOM 1025 CA ILE A 65 1.616 -14.982 7.631 1.00 0.00 C ATOM 1026 C ILE A 65 1.937 -13.517 7.271 1.00 0.00 C ATOM 1027 O ILE A 65 2.694 -12.839 7.970 1.00 0.00 O ATOM 1028 CB ILE A 65 0.451 -15.014 8.637 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.830 -14.483 7.989 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.798 -14.207 9.879 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.087 -14.808 8.764 1.00 0.00 C ATOM 0 H ILE A 65 3.519 -15.023 8.514 1.00 0.00 H new ATOM 0 HA ILE A 65 1.315 -15.520 6.732 1.00 0.00 H new ATOM 0 HB ILE A 65 0.281 -16.048 8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.750 -13.401 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.916 -14.897 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.036 -14.240 10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.685 -14.629 10.351 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.994 -13.172 9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.952 -14.399 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.193 -15.890 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.024 -14.370 9.760 1.00 0.00 H new ATOM 1043 N THR A 66 1.362 -13.030 6.171 1.00 0.00 N ATOM 1044 CA THR A 66 1.662 -11.678 5.662 1.00 0.00 C ATOM 1045 C THR A 66 0.499 -10.697 5.925 1.00 0.00 C ATOM 1046 O THR A 66 0.690 -9.484 6.001 1.00 0.00 O ATOM 1047 CB THR A 66 1.966 -11.701 4.152 1.00 0.00 C ATOM 1048 OG1 THR A 66 0.805 -12.140 3.436 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.125 -12.639 3.856 1.00 0.00 C ATOM 0 H THR A 66 0.685 -13.547 5.610 1.00 0.00 H new ATOM 0 HA THR A 66 2.544 -11.334 6.202 1.00 0.00 H new ATOM 0 HB THR A 66 2.238 -10.694 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.946 -13.054 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.326 -12.643 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.013 -12.300 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.869 -13.648 4.181 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.711 -11.234 6.075 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.922 -10.431 5.948 1.00 0.00 C ATOM 1059 C GLY A 67 -2.490 -10.374 4.529 1.00 0.00 C ATOM 1060 O GLY A 67 -3.660 -10.033 4.335 1.00 0.00 O ATOM 0 H GLY A 67 -0.877 -12.219 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.683 -10.834 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.708 -9.416 6.283 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.664 -10.720 3.540 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.127 -10.905 2.158 1.00 0.00 C ATOM 1066 C GLU A 68 -2.528 -12.356 1.835 1.00 0.00 C ATOM 1067 O GLU A 68 -3.302 -12.596 0.910 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.042 -10.442 1.184 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.723 -8.956 1.256 1.00 0.00 C ATOM 1070 CD GLU A 68 0.467 -8.610 0.404 1.00 0.00 C ATOM 1071 OE1 GLU A 68 1.055 -9.505 -0.152 1.00 0.00 O ATOM 1072 OE2 GLU A 68 0.719 -7.443 0.219 1.00 0.00 O ATOM 0 H GLU A 68 -0.665 -10.879 3.669 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.027 -10.300 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.130 -11.006 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.355 -10.685 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.588 -8.380 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.527 -8.674 2.290 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.992 -13.315 2.587 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.297 -14.741 2.361 1.00 0.00 C ATOM 1081 C PHE A 69 -3.543 -15.210 3.140 1.00 0.00 C ATOM 1082 O PHE A 69 -3.737 -16.410 3.351 1.00 0.00 O ATOM 1083 CB PHE A 69 -1.091 -15.600 2.745 1.00 0.00 C ATOM 1084 CG PHE A 69 0.101 -15.406 1.852 1.00 0.00 C ATOM 1085 CD1 PHE A 69 -0.063 -15.056 0.520 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.388 -15.574 2.341 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.034 -14.877 -0.302 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.485 -15.394 1.522 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.308 -15.046 0.198 1.00 0.00 C ATOM 0 H PHE A 69 -1.346 -13.140 3.357 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.516 -14.859 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.805 -15.370 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.383 -16.650 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.058 -14.922 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.534 -15.849 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.893 -14.604 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.481 -15.525 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.165 -14.906 -0.444 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.373 -14.260 3.569 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.553 -14.554 4.392 1.00 0.00 C ATOM 1101 C ASP A 70 -6.587 -15.404 3.606 1.00 0.00 C ATOM 1102 O ASP A 70 -7.159 -14.940 2.619 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.197 -13.255 4.881 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.406 -13.452 5.784 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.864 -14.565 5.895 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.765 -12.528 6.474 1.00 0.00 O ATOM 0 H ASP A 70 -4.251 -13.269 3.359 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.226 -15.133 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.449 -12.673 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.498 -12.665 4.015 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.842 -16.660 4.044 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.851 -17.554 3.415 1.00 0.00 C ATOM 1113 C PRO A 71 -9.270 -16.953 3.256 1.00 0.00 C ATOM 1114 O PRO A 71 -10.025 -17.380 2.378 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.867 -18.767 4.350 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.508 -18.780 4.965 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.152 -17.332 5.174 1.00 0.00 C ATOM 0 HA PRO A 71 -7.576 -17.772 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.645 -18.674 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.064 -19.688 3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.509 -19.325 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.786 -19.272 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.502 -16.964 6.139 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.074 -17.171 5.144 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.642 -15.980 4.089 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.981 -15.370 4.004 1.00 0.00 C ATOM 1127 C LYS A 72 -11.099 -14.464 2.760 1.00 0.00 C ATOM 1128 O LYS A 72 -12.185 -14.293 2.206 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.284 -14.568 5.271 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.486 -15.417 6.519 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.781 -14.552 7.735 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.985 -15.400 8.982 1.00 0.00 C ATOM 1133 NZ LYS A 72 -12.243 -14.564 10.186 1.00 0.00 N ATOM 0 H LYS A 72 -9.047 -15.597 4.824 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.712 -16.174 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.466 -13.870 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.181 -13.971 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.308 -16.114 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.593 -16.015 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.958 -13.856 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.673 -13.953 7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.823 -16.080 8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.102 -16.016 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.376 -15.179 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.433 -13.933 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.100 -13.995 10.036 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.979 -13.880 2.333 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.985 -12.906 1.230 1.00 0.00 C ATOM 1149 C LEU A 73 -9.469 -13.523 -0.083 1.00 0.00 C ATOM 1150 O LEU A 73 -9.760 -13.017 -1.167 1.00 0.00 O ATOM 1151 CB LEU A 73 -9.140 -11.682 1.607 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.616 -10.919 2.850 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.653 -9.782 3.165 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -11.021 -10.385 2.613 1.00 0.00 C ATOM 0 H LEU A 73 -9.057 -14.061 2.730 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.018 -12.599 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.112 -12.006 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.127 -10.995 0.761 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.638 -11.595 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.999 -9.246 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.659 -10.188 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.610 -9.096 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.358 -9.843 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.015 -9.712 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.698 -11.216 2.417 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.705 -14.606 0.015 1.00 0.00 N ATOM 1167 CA LEU A 74 -8.137 -15.261 -1.172 1.00 0.00 C ATOM 1168 C LEU A 74 -8.978 -16.495 -1.559 1.00 0.00 C ATOM 1169 O LEU A 74 -8.985 -17.497 -0.840 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.678 -15.660 -0.914 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.850 -15.955 -2.170 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -4.365 -15.839 -1.856 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -6.185 -17.347 -2.686 1.00 0.00 C ATOM 0 H LEU A 74 -8.462 -15.053 0.899 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.159 -14.556 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.192 -14.859 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.667 -16.543 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.093 -15.227 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.785 -16.050 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.144 -14.829 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.101 -16.554 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.596 -17.556 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.954 -18.085 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.246 -17.399 -2.931 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.699 -16.436 -2.701 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.495 -17.572 -3.204 1.00 0.00 C ATOM 1187 C PRO A 75 -9.631 -18.726 -3.740 1.00 0.00 C ATOM 1188 O PRO A 75 -8.628 -18.511 -4.421 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.354 -16.950 -4.309 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.540 -15.807 -4.814 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.835 -15.255 -3.603 1.00 0.00 C ATOM 0 HA PRO A 75 -11.083 -18.035 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.564 -17.669 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.316 -16.613 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.826 -16.136 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.171 -15.051 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.863 -14.836 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.411 -14.457 -3.134 1.00 0.00 H new ATOM 1199 N TYR A 76 -10.026 -19.964 -3.437 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.165 -21.118 -3.709 1.00 0.00 C ATOM 1201 C TYR A 76 -9.718 -22.018 -4.827 1.00 0.00 C ATOM 1202 O TYR A 76 -10.701 -22.736 -4.650 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.973 -21.938 -2.431 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.143 -21.241 -1.375 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.772 -21.104 -1.525 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.734 -20.724 -0.231 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -6.008 -20.470 -0.564 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -7.981 -20.087 0.736 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.617 -19.963 0.566 1.00 0.00 C ATOM 1210 OH TYR A 76 -5.862 -19.330 1.526 1.00 0.00 O ATOM 0 H TYR A 76 -10.923 -20.192 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.206 -20.729 -4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.951 -22.175 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.498 -22.885 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.293 -21.500 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.801 -20.821 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.941 -20.372 -0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.457 -19.688 1.620 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.087 -18.904 1.104 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.082 -21.950 -5.992 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.368 -22.873 -7.096 1.00 0.00 C ATOM 1222 C ASP A 77 -8.455 -24.104 -6.972 1.00 0.00 C ATOM 1223 O ASP A 77 -7.529 -24.099 -6.168 1.00 0.00 O ATOM 1224 CB ASP A 77 -9.173 -22.189 -8.451 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.951 -22.823 -9.596 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.549 -23.852 -9.383 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -10.072 -22.200 -10.623 1.00 0.00 O ATOM 0 H ASP A 77 -8.359 -21.262 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.410 -23.186 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.469 -21.144 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.112 -22.200 -8.700 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.696 -25.143 -7.770 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.964 -26.413 -7.626 1.00 0.00 C ATOM 1234 C LYS A 78 -6.440 -26.209 -7.780 1.00 0.00 C ATOM 1235 O LYS A 78 -5.671 -26.376 -6.822 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.465 -27.431 -8.652 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.791 -28.795 -8.565 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.371 -29.765 -9.582 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.679 -31.119 -9.514 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.240 -32.080 -10.503 1.00 0.00 N ATOM 0 H LYS A 78 -9.387 -25.137 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.151 -26.793 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.539 -27.561 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.311 -27.026 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.720 -28.685 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.915 -29.201 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.438 -29.890 -9.400 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.265 -29.350 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.612 -30.991 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.783 -31.530 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.742 -32.990 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.253 -32.222 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.118 -31.700 -11.464 1.00 0.00 H new ATOM 1254 N ARG A 79 -6.015 -25.800 -8.976 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.585 -25.649 -9.277 1.00 0.00 C ATOM 1256 C ARG A 79 -4.003 -24.389 -8.628 1.00 0.00 C ATOM 1257 O ARG A 79 -2.860 -24.395 -8.156 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.312 -25.679 -10.774 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.507 -27.035 -11.433 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.336 -27.029 -12.909 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.520 -28.325 -13.542 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.548 -28.528 -14.874 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.442 -27.524 -15.715 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.708 -29.764 -15.313 1.00 0.00 N ATOM 0 H ARG A 79 -6.635 -25.567 -9.751 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.076 -26.509 -8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.966 -24.957 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.287 -25.350 -10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.799 -27.741 -11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.506 -27.400 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.045 -26.323 -13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.337 -26.662 -13.145 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.636 -29.137 -12.936 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.337 -26.573 -15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.465 -27.696 -16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.806 -30.532 -14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.733 -29.950 -16.316 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.785 -23.311 -8.617 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.400 -22.067 -7.936 1.00 0.00 C ATOM 1280 C LEU A 80 -4.056 -22.323 -6.458 1.00 0.00 C ATOM 1281 O LEU A 80 -2.945 -22.030 -6.005 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.525 -21.031 -8.052 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.263 -19.700 -7.336 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.114 -18.963 -8.010 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.529 -18.856 -7.353 1.00 0.00 C ATOM 0 H LEU A 80 -5.696 -23.270 -9.074 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.507 -21.677 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.703 -20.828 -9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.441 -21.466 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.984 -19.892 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.935 -18.019 -7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.214 -19.576 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.369 -18.765 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.343 -17.910 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.823 -18.661 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.330 -19.391 -6.843 1.00 0.00 H new ATOM 1297 N ALA A 81 -5.008 -22.901 -5.723 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.824 -23.180 -4.296 1.00 0.00 C ATOM 1299 C ALA A 81 -3.628 -24.098 -4.037 1.00 0.00 C ATOM 1300 O ALA A 81 -2.812 -23.812 -3.163 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.087 -23.786 -3.694 1.00 0.00 C ATOM 0 H ALA A 81 -5.915 -23.186 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.620 -22.225 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.926 -23.984 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.917 -23.089 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.323 -24.719 -4.206 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.509 -25.188 -4.808 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.434 -26.163 -4.572 1.00 0.00 C ATOM 1309 C TRP A 82 -1.050 -25.502 -4.619 1.00 0.00 C ATOM 1310 O TRP A 82 -0.323 -25.513 -3.634 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.508 -27.292 -5.600 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.296 -28.175 -5.607 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.310 -28.213 -4.668 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.945 -29.147 -6.600 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.636 -29.146 -5.013 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.267 -29.735 -6.197 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.540 -29.576 -7.792 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.896 -30.722 -6.937 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.910 -30.568 -8.534 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.273 -31.125 -8.118 1.00 0.00 C ATOM 0 H TRP A 82 -4.130 -25.415 -5.585 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.576 -26.574 -3.573 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.390 -27.900 -5.397 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.639 -26.861 -6.592 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.277 -27.598 -3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.476 -29.366 -4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.471 -29.144 -8.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.828 -31.161 -6.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.360 -30.907 -9.455 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.733 -31.895 -8.720 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.707 -24.904 -5.757 1.00 0.00 N ATOM 1332 CA HIS A 83 0.665 -24.439 -5.994 1.00 0.00 C ATOM 1333 C HIS A 83 0.964 -23.129 -5.255 1.00 0.00 C ATOM 1334 O HIS A 83 2.026 -22.980 -4.659 1.00 0.00 O ATOM 1335 CB HIS A 83 0.918 -24.256 -7.495 1.00 0.00 C ATOM 1336 CG HIS A 83 0.858 -25.532 -8.275 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.281 -25.950 -8.931 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.794 -26.483 -8.503 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.041 -27.104 -9.530 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.211 -27.448 -9.285 1.00 0.00 N ATOM 0 H HIS A 83 -1.352 -24.729 -6.527 1.00 0.00 H new ATOM 0 HA HIS A 83 1.335 -25.205 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.181 -23.560 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.898 -23.800 -7.636 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.169 -25.448 -8.951 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.810 -26.482 -8.137 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.748 -27.669 -10.119 1.00 0.00 H new ATOM 1345 N PHE A 84 0.025 -22.191 -5.275 1.00 0.00 N ATOM 1346 CA PHE A 84 0.232 -20.891 -4.625 1.00 0.00 C ATOM 1347 C PHE A 84 0.318 -21.015 -3.085 1.00 0.00 C ATOM 1348 O PHE A 84 1.226 -20.466 -2.460 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.874 -19.913 -5.040 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.716 -19.378 -6.451 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.637 -20.241 -7.542 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.653 -18.010 -6.686 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.498 -19.748 -8.826 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.515 -17.515 -7.971 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.438 -18.385 -9.041 1.00 0.00 C ATOM 0 H PHE A 84 -0.882 -22.299 -5.729 1.00 0.00 H new ATOM 0 HA PHE A 84 1.193 -20.500 -4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.839 -20.413 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.887 -19.075 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.685 -21.308 -7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.713 -17.323 -5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.436 -20.429 -9.662 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.468 -16.449 -8.137 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.331 -18.000 -10.044 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.617 -21.746 -2.475 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.645 -21.893 -1.008 1.00 0.00 C ATOM 1367 C LYS A 85 0.546 -22.732 -0.497 1.00 0.00 C ATOM 1368 O LYS A 85 1.202 -22.362 0.476 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.962 -22.528 -0.563 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.136 -22.622 0.947 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.496 -23.197 1.313 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.653 -23.335 2.820 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.927 -24.010 3.189 1.00 0.00 N ATOM 0 H LYS A 85 -1.361 -22.244 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.562 -20.896 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.788 -21.950 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.030 -23.530 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.349 -23.248 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.026 -21.632 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.283 -22.552 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.619 -24.172 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.813 -23.902 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.620 -22.347 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.994 -24.083 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.730 -23.456 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.949 -24.963 2.772 1.00 0.00 H new ATOM 1387 N GLU A 86 0.816 -23.848 -1.165 1.00 0.00 N ATOM 1388 CA GLU A 86 1.878 -24.783 -0.755 1.00 0.00 C ATOM 1389 C GLU A 86 3.275 -24.147 -0.857 1.00 0.00 C ATOM 1390 O GLU A 86 4.150 -24.409 -0.032 1.00 0.00 O ATOM 1391 CB GLU A 86 1.821 -26.055 -1.603 1.00 0.00 C ATOM 1392 CG GLU A 86 0.662 -26.983 -1.269 1.00 0.00 C ATOM 1393 CD GLU A 86 0.737 -27.458 0.156 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.756 -27.986 0.533 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.180 -27.194 0.898 1.00 0.00 O ATOM 0 H GLU A 86 0.312 -24.137 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 86 1.704 -25.035 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.754 -25.774 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.756 -26.602 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.282 -26.463 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.674 -27.841 -1.942 1.00 0.00 H new ATOM 1402 N PHE A 87 3.473 -23.305 -1.865 1.00 0.00 N ATOM 1403 CA PHE A 87 4.758 -22.630 -2.078 1.00 0.00 C ATOM 1404 C PHE A 87 4.939 -21.434 -1.127 1.00 0.00 C ATOM 1405 O PHE A 87 5.991 -21.280 -0.508 1.00 0.00 O ATOM 1406 CB PHE A 87 4.855 -22.159 -3.537 1.00 0.00 C ATOM 1407 CG PHE A 87 6.211 -21.630 -3.943 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.268 -22.501 -4.167 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.423 -20.270 -4.118 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.507 -22.027 -4.553 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.660 -19.794 -4.508 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.702 -20.672 -4.724 1.00 0.00 C ATOM 0 H PHE A 87 2.759 -23.069 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 87 5.554 -23.344 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.595 -22.991 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.112 -21.379 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.120 -23.563 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.613 -19.576 -3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.322 -22.716 -4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.811 -18.733 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.669 -20.299 -5.027 1.00 0.00 H new ATOM 1422 N CYS A 88 3.908 -20.593 -1.012 1.00 0.00 N ATOM 1423 CA CYS A 88 4.039 -19.290 -0.338 1.00 0.00 C ATOM 1424 C CYS A 88 3.624 -19.330 1.144 1.00 0.00 C ATOM 1425 O CYS A 88 4.311 -18.782 2.004 1.00 0.00 O ATOM 1426 CB CYS A 88 3.073 -18.413 -1.134 1.00 0.00 C ATOM 1427 SG CYS A 88 3.495 -18.228 -2.884 1.00 0.00 S ATOM 0 H CYS A 88 2.974 -20.786 -1.374 1.00 0.00 H new ATOM 0 HA CYS A 88 5.071 -18.939 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.071 -18.836 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.038 -17.425 -0.675 1.00 0.00 H new ATOM 0 HG CYS A 88 2.766 -19.037 -3.594 1.00 0.00 H new ATOM 1433 N TYR A 89 2.502 -19.988 1.443 1.00 0.00 N ATOM 1434 CA TYR A 89 1.888 -19.913 2.784 1.00 0.00 C ATOM 1435 C TYR A 89 2.180 -21.169 3.632 1.00 0.00 C ATOM 1436 O TYR A 89 1.619 -21.356 4.712 1.00 0.00 O ATOM 1437 CB TYR A 89 0.370 -19.692 2.642 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.344 -19.361 3.945 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.025 -18.247 4.694 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.384 -20.154 4.424 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.615 -17.936 5.878 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -2.030 -19.846 5.608 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.642 -18.736 6.331 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.285 -18.425 7.510 1.00 0.00 O ATOM 0 H TYR A 89 1.997 -20.578 0.782 1.00 0.00 H new ATOM 0 HA TYR A 89 2.333 -19.069 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.198 -18.883 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.077 -20.590 2.215 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.827 -17.614 4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.691 -21.024 3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.312 -17.069 6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.835 -20.472 5.965 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.985 -19.088 7.686 1.00 0.00 H new ATOM 1454 N LYS A 90 3.079 -22.023 3.150 1.00 0.00 N ATOM 1455 CA LYS A 90 3.510 -23.194 3.919 1.00 0.00 C ATOM 1456 C LYS A 90 4.153 -22.794 5.257 1.00 0.00 C ATOM 1457 O LYS A 90 5.245 -22.237 5.298 1.00 0.00 O ATOM 1458 CB LYS A 90 4.488 -24.035 3.097 1.00 0.00 C ATOM 1459 CG LYS A 90 4.609 -25.483 3.553 1.00 0.00 C ATOM 1460 CD LYS A 90 3.344 -26.270 3.240 1.00 0.00 C ATOM 1461 CE LYS A 90 3.486 -27.731 3.639 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.260 -28.514 3.328 1.00 0.00 N ATOM 0 H LYS A 90 3.523 -21.930 2.236 1.00 0.00 H new ATOM 0 HA LYS A 90 2.622 -23.786 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.173 -24.020 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.473 -23.570 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.462 -25.951 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.803 -25.514 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.499 -25.828 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.126 -26.202 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.338 -28.168 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.697 -27.797 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.439 -29.523 3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.478 -28.190 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.005 -28.377 2.329 1.00 0.00 H new ATOM 1476 N THR A 91 3.466 -23.083 6.357 1.00 0.00 N ATOM 1477 CA THR A 91 4.030 -22.861 7.698 1.00 0.00 C ATOM 1478 C THR A 91 4.698 -24.125 8.272 1.00 0.00 C ATOM 1479 O THR A 91 5.434 -24.062 9.258 1.00 0.00 O ATOM 1480 CB THR A 91 2.949 -22.380 8.684 1.00 0.00 C ATOM 1481 OG1 THR A 91 1.931 -23.382 8.806 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.323 -21.082 8.197 1.00 0.00 C ATOM 0 H THR A 91 2.522 -23.470 6.355 1.00 0.00 H new ATOM 0 HA THR A 91 4.792 -22.090 7.579 1.00 0.00 H new ATOM 0 HB THR A 91 3.414 -22.205 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.244 -23.076 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.561 -20.757 8.906 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.093 -20.315 8.115 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.865 -21.243 7.221 1.00 0.00 H new ATOM 1490 N SER A 92 4.446 -25.268 7.642 1.00 0.00 N ATOM 1491 CA SER A 92 5.044 -26.542 8.063 1.00 0.00 C ATOM 1492 C SER A 92 6.326 -26.851 7.276 1.00 0.00 C ATOM 1493 O SER A 92 6.534 -26.338 6.172 1.00 0.00 O ATOM 1494 CB SER A 92 4.042 -27.666 7.897 1.00 0.00 C ATOM 1495 OG SER A 92 2.940 -27.520 8.752 1.00 0.00 O ATOM 0 H SER A 92 3.829 -25.344 6.833 1.00 0.00 H new ATOM 0 HA SER A 92 5.315 -26.454 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.697 -27.694 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.531 -28.620 8.096 1.00 0.00 H new ATOM 0 HG SER A 92 2.317 -28.264 8.613 1.00 0.00 H new ATOM 1501 N ALA A 93 7.189 -27.677 7.863 1.00 0.00 N ATOM 1502 CA ALA A 93 8.449 -28.086 7.230 1.00 0.00 C ATOM 1503 C ALA A 93 8.788 -29.539 7.595 1.00 0.00 C ATOM 1504 O ALA A 93 9.538 -29.800 8.538 1.00 0.00 O ATOM 1505 CB ALA A 93 9.579 -27.144 7.634 1.00 0.00 C ATOM 0 H ALA A 93 7.039 -28.082 8.787 1.00 0.00 H new ATOM 0 HA ALA A 93 8.329 -28.028 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.506 -27.461 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.337 -26.129 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.703 -27.167 8.717 1.00 0.00 H new ATOM 1511 N HIS A 94 8.221 -30.478 6.843 1.00 0.00 N ATOM 1512 CA HIS A 94 8.346 -31.914 7.135 1.00 0.00 C ATOM 1513 C HIS A 94 9.330 -32.596 6.159 1.00 0.00 C ATOM 1514 O HIS A 94 10.118 -31.918 5.503 1.00 0.00 O ATOM 1515 CB HIS A 94 6.975 -32.598 7.066 1.00 0.00 C ATOM 1516 CG HIS A 94 5.979 -32.047 8.038 1.00 0.00 C ATOM 1517 ND1 HIS A 94 6.106 -32.205 9.403 1.00 0.00 N ATOM 1518 CD2 HIS A 94 4.840 -31.342 7.844 1.00 0.00 C ATOM 1519 CE1 HIS A 94 5.086 -31.618 10.006 1.00 0.00 C ATOM 1520 NE2 HIS A 94 4.304 -31.088 9.083 1.00 0.00 N ATOM 0 H HIS A 94 7.662 -30.272 6.015 1.00 0.00 H new ATOM 0 HA HIS A 94 8.741 -32.017 8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 94 6.578 -32.496 6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 94 7.101 -33.664 7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.429 -31.036 6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.920 -31.579 11.073 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.442 -30.573 9.261 1.00 0.00 H new ATOM 1525 N GLY A 95 9.311 -33.935 6.102 1.00 0.00 N ATOM 1526 CA GLY A 95 10.112 -34.678 5.123 1.00 0.00 C ATOM 1527 C GLY A 95 9.768 -34.354 3.667 1.00 0.00 C ATOM 1528 O GLY A 95 10.585 -34.579 2.775 1.00 0.00 O ATOM 0 H GLY A 95 8.752 -34.523 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.167 -34.463 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.973 -35.746 5.290 1.00 0.00 H new ATOM 1532 N ILE A 96 8.559 -33.834 3.428 1.00 0.00 N ATOM 1533 CA ILE A 96 8.196 -33.260 2.118 1.00 0.00 C ATOM 1534 C ILE A 96 8.010 -31.724 2.197 1.00 0.00 C ATOM 1535 O ILE A 96 6.912 -31.228 2.459 1.00 0.00 O ATOM 1536 CB ILE A 96 6.905 -33.896 1.570 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.082 -35.407 1.407 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.519 -33.256 0.246 1.00 0.00 C ATOM 1539 CD1 ILE A 96 5.812 -36.134 1.029 1.00 0.00 C ATOM 0 H ILE A 96 7.812 -33.797 4.122 1.00 0.00 H new ATOM 0 HA ILE A 96 9.022 -33.480 1.442 1.00 0.00 H new ATOM 0 HB ILE A 96 6.101 -33.720 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.837 -35.594 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.462 -35.821 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.605 -33.717 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.354 -32.189 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.321 -33.403 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.018 -37.200 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.060 -35.979 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.441 -35.748 0.079 1.00 0.00 H new ATOM 1551 N PRO A 97 9.095 -30.942 2.016 1.00 0.00 N ATOM 1552 CA PRO A 97 9.052 -29.482 2.146 1.00 0.00 C ATOM 1553 C PRO A 97 8.667 -28.745 0.844 1.00 0.00 C ATOM 1554 O PRO A 97 8.544 -27.522 0.835 1.00 0.00 O ATOM 1555 CB PRO A 97 10.498 -29.175 2.533 1.00 0.00 C ATOM 1556 CG PRO A 97 11.311 -30.217 1.820 1.00 0.00 C ATOM 1557 CD PRO A 97 10.469 -31.481 1.770 1.00 0.00 C ATOM 0 HA PRO A 97 8.293 -29.150 2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.785 -28.169 2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.640 -29.232 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.567 -29.884 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.249 -30.399 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.544 -31.985 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.768 -32.202 2.531 1.00 0.00 H new ATOM 1565 N MET A 98 8.486 -29.496 -0.247 1.00 0.00 N ATOM 1566 CA MET A 98 8.175 -28.915 -1.560 1.00 0.00 C ATOM 1567 C MET A 98 6.659 -28.837 -1.818 1.00 0.00 C ATOM 1568 O MET A 98 5.850 -29.220 -0.974 1.00 0.00 O ATOM 1569 CB MET A 98 8.852 -29.730 -2.661 1.00 0.00 C ATOM 1570 CG MET A 98 10.373 -29.724 -2.602 1.00 0.00 C ATOM 1571 SD MET A 98 11.123 -30.691 -3.928 1.00 0.00 S ATOM 1572 CE MET A 98 12.862 -30.437 -3.590 1.00 0.00 C ATOM 0 H MET A 98 8.550 -30.514 -0.248 1.00 0.00 H new ATOM 0 HA MET A 98 8.558 -27.895 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.502 -30.761 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.536 -29.342 -3.630 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.731 -28.696 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.697 -30.121 -1.640 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.457 -30.884 -4.387 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.070 -29.368 -3.538 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.120 -30.904 -2.639 1.00 0.00 H new ATOM 1582 N ILE A 99 6.291 -28.343 -3.003 1.00 0.00 N ATOM 1583 CA ILE A 99 4.878 -28.183 -3.391 1.00 0.00 C ATOM 1584 C ILE A 99 4.149 -29.539 -3.507 1.00 0.00 C ATOM 1585 O ILE A 99 2.929 -29.612 -3.349 1.00 0.00 O ATOM 1586 CB ILE A 99 4.751 -27.432 -4.729 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.206 -25.978 -4.571 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.319 -27.492 -5.240 1.00 0.00 C ATOM 1589 CD1 ILE A 99 5.356 -25.239 -5.882 1.00 0.00 C ATOM 0 H ILE A 99 6.954 -28.044 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 99 4.408 -27.602 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 99 5.397 -27.917 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.487 -25.448 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.160 -25.961 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.248 -26.956 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.029 -28.532 -5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.653 -27.031 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.681 -24.217 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.097 -25.744 -6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.398 -25.223 -6.402 1.00 0.00 H new ATOM 1601 N GLY A 100 4.897 -30.611 -3.767 1.00 0.00 N ATOM 1602 CA GLY A 100 4.271 -31.914 -3.979 1.00 0.00 C ATOM 1603 C GLY A 100 5.167 -33.116 -3.664 1.00 0.00 C ATOM 1604 O GLY A 100 5.285 -33.532 -2.510 1.00 0.00 O ATOM 0 H GLY A 100 5.915 -30.605 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.375 -31.975 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.948 -31.982 -5.018 1.00 0.00 H new ATOM 1608 N GLU A 101 5.826 -33.647 -4.692 1.00 0.00 N ATOM 1609 CA GLU A 101 6.673 -34.838 -4.549 1.00 0.00 C ATOM 1610 C GLU A 101 8.133 -34.520 -4.194 1.00 0.00 C ATOM 1611 O GLU A 101 8.933 -34.152 -5.054 1.00 0.00 O ATOM 1612 CB GLU A 101 6.631 -35.661 -5.839 1.00 0.00 C ATOM 1613 CG GLU A 101 7.398 -36.973 -5.774 1.00 0.00 C ATOM 1614 CD GLU A 101 7.337 -37.708 -7.084 1.00 0.00 C ATOM 1615 OE1 GLU A 101 6.736 -37.201 -8.001 1.00 0.00 O ATOM 1616 OE2 GLU A 101 7.986 -38.721 -7.205 1.00 0.00 O ATOM 0 H GLU A 101 5.792 -33.271 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 101 6.264 -35.405 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.591 -35.874 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.034 -35.059 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.438 -36.776 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.984 -37.599 -4.984 1.00 0.00 H new ATOM 1623 N ALA A 102 8.467 -34.661 -2.915 1.00 0.00 N ATOM 1624 CA ALA A 102 9.842 -34.474 -2.444 1.00 0.00 C ATOM 1625 C ALA A 102 10.320 -35.724 -1.682 1.00 0.00 C ATOM 1626 O ALA A 102 10.026 -35.897 -0.501 1.00 0.00 O ATOM 1627 CB ALA A 102 9.936 -33.229 -1.571 1.00 0.00 C ATOM 0 H ALA A 102 7.803 -34.905 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 102 10.495 -34.333 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.963 -33.102 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.636 -32.355 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.277 -33.338 -0.710 1.00 0.00 H new ATOM 1633 N PRO A 103 11.053 -36.629 -2.362 1.00 0.00 N ATOM 1634 CA PRO A 103 11.622 -37.842 -1.734 1.00 0.00 C ATOM 1635 C PRO A 103 12.794 -37.548 -0.777 1.00 0.00 C ATOM 1636 O PRO A 103 13.949 -37.832 -1.096 1.00 0.00 O ATOM 1637 CB PRO A 103 12.071 -38.688 -2.930 1.00 0.00 C ATOM 1638 CG PRO A 103 12.423 -37.690 -3.980 1.00 0.00 C ATOM 1639 CD PRO A 103 11.418 -36.579 -3.827 1.00 0.00 C ATOM 0 HA PRO A 103 10.892 -38.342 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.926 -39.314 -2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.276 -39.354 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.440 -37.321 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.372 -38.132 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.843 -35.613 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.547 -36.736 -4.463 1.00 0.00 H new ATOM 1647 N LEU A 104 12.492 -36.969 0.392 1.00 0.00 N ATOM 1648 CA LEU A 104 13.525 -36.508 1.341 1.00 0.00 C ATOM 1649 C LEU A 104 14.513 -35.530 0.656 1.00 0.00 C ATOM 1650 O LEU A 104 15.701 -35.480 0.980 1.00 0.00 O ATOM 1651 CB LEU A 104 14.279 -37.709 1.927 1.00 0.00 C ATOM 1652 CG LEU A 104 13.402 -38.742 2.647 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.257 -39.907 3.130 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.689 -38.077 3.815 1.00 0.00 C ATOM 0 H LEU A 104 11.536 -36.806 0.709 1.00 0.00 H new ATOM 0 HA LEU A 104 13.030 -35.973 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.815 -38.210 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.028 -37.341 2.628 1.00 0.00 H new ATOM 0 HG LEU A 104 12.655 -39.131 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.626 -40.635 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.741 -40.381 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.017 -39.539 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.066 -38.811 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.426 -37.678 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.063 -37.265 3.445 1.00 0.00 H new ATOM 1666 N GLU A 105 13.993 -34.723 -0.267 1.00 0.00 N ATOM 1667 CA GLU A 105 14.782 -33.685 -0.931 1.00 0.00 C ATOM 1668 C GLU A 105 14.733 -32.357 -0.159 1.00 0.00 C ATOM 1669 O GLU A 105 13.853 -31.519 -0.377 1.00 0.00 O ATOM 1670 CB GLU A 105 14.286 -33.478 -2.364 1.00 0.00 C ATOM 1671 CG GLU A 105 14.505 -34.671 -3.283 1.00 0.00 C ATOM 1672 CD GLU A 105 15.942 -34.775 -3.711 1.00 0.00 C ATOM 1673 OE1 GLU A 105 16.713 -33.918 -3.352 1.00 0.00 O ATOM 1674 OE2 GLU A 105 16.296 -35.770 -4.300 1.00 0.00 O ATOM 0 H GLU A 105 13.021 -34.768 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 105 15.819 -34.021 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.221 -33.246 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.791 -32.610 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.209 -35.586 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.867 -34.577 -4.162 1.00 0.00 H new ATOM 1681 N HIS A 106 15.676 -32.175 0.758 1.00 0.00 N ATOM 1682 CA HIS A 106 15.674 -31.012 1.643 1.00 0.00 C ATOM 1683 C HIS A 106 16.491 -29.870 1.022 1.00 0.00 C ATOM 1684 O HIS A 106 17.720 -29.931 0.973 1.00 0.00 O ATOM 1685 CB HIS A 106 16.231 -31.377 3.022 1.00 0.00 C ATOM 1686 CG HIS A 106 15.408 -32.392 3.754 1.00 0.00 C ATOM 1687 ND1 HIS A 106 14.280 -32.058 4.472 1.00 0.00 N ATOM 1688 CD2 HIS A 106 15.552 -33.732 3.879 1.00 0.00 C ATOM 1689 CE1 HIS A 106 13.763 -33.151 5.007 1.00 0.00 C ATOM 1690 NE2 HIS A 106 14.516 -34.179 4.663 1.00 0.00 N ATOM 0 H HIS A 106 16.453 -32.818 0.910 1.00 0.00 H new ATOM 0 HA HIS A 106 14.644 -30.679 1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 106 17.245 -31.760 2.905 1.00 0.00 H new ATOM 0 HB3 HIS A 106 16.300 -30.473 3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.334 -34.336 3.444 1.00 0.00 H new ATOM 0 HE1 HIS A 106 12.876 -33.195 5.621 1.00 0.00 H new ATOM 0 HE2 HIS A 106 14.355 -35.149 4.935 1.00 0.00 H new ATOM 1695 N HIS A 107 15.799 -28.845 0.527 1.00 0.00 N ATOM 1696 CA HIS A 107 16.461 -27.628 0.036 1.00 0.00 C ATOM 1697 C HIS A 107 17.367 -27.005 1.110 1.00 0.00 C ATOM 1698 O HIS A 107 16.954 -26.838 2.259 1.00 0.00 O ATOM 1699 CB HIS A 107 15.424 -26.602 -0.431 1.00 0.00 C ATOM 1700 CG HIS A 107 16.017 -25.290 -0.839 1.00 0.00 C ATOM 1701 ND1 HIS A 107 15.435 -24.079 -0.525 1.00 0.00 N ATOM 1702 CD2 HIS A 107 17.140 -24.997 -1.537 1.00 0.00 C ATOM 1703 CE1 HIS A 107 16.175 -23.098 -1.012 1.00 0.00 C ATOM 1704 NE2 HIS A 107 17.214 -23.628 -1.631 1.00 0.00 N ATOM 0 H HIS A 107 14.782 -28.829 0.454 1.00 0.00 H new ATOM 0 HA HIS A 107 17.086 -27.915 -0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.869 -27.017 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.707 -26.432 0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.845 -25.707 -1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.965 -22.043 -0.919 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.952 -23.106 -2.103 1.00 0.00 H new