USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 117 HIS : no HD1:sc= -15.6! C(o=-21!,f=-27!) USER MOD Set 1.2: A 119 HIS : no HD1:sc= -5.36! C(o=-21!,f=-23!) USER MOD Set 2.1: A 35 ASN : amide:sc= -20.5! C(o=-24!,f=-17!) USER MOD Set 2.2: A 37 THR OG1 : rot -176:sc= -1.52! USER MOD Set 2.3: A 41 LYS NZ :NH3+ 128:sc= -2! (180deg=-2.83!) USER MOD Set 3.1: A 26 MET CE :methyl 146:sc= -9.39! (180deg=-9.67!) USER MOD Set 3.2: A 74 GLN : amide:sc= -47.1! C(o=-56!,f=-61!) USER MOD Set 4.1: A 24 SER OG : rot 125:sc= 1.31 USER MOD Set 4.2: A 73 TYR OH : rot 180:sc= 0.058 USER MOD Set 5.1: A 20 HIS : no HD1:sc= -61.7! C(o=-1.1e+02!,f=-99!) USER MOD Set 5.2: A 21 SER OG : rot -88:sc= -15.1! USER MOD Set 5.3: A 38 HIS : no HE2:sc= -32.7! C(o=-1.1e+02!,f=-99!) USER MOD Single : A 2 SER OG : rot 111:sc= -3.5! USER MOD Single : A 3 ASN : amide:sc= -0.0529 K(o=-0.053,f=-1.3) USER MOD Single : A 4 GLN : amide:sc= -4.49! C(o=-4.5!,f=-7.1!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 29:sc= -8.31! USER MOD Single : A 10 TYR OH : rot 30:sc= -0.222 USER MOD Single : A 11 SER OG : rot 58:sc= 0.98 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -145:sc= -2.36! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.667 (180deg=-2.17!) USER MOD Single : A 44 ASN : amide:sc= -53! C(o=-53!,f=-51!) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -8.88! (180deg=-11.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.0716 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.927! (180deg=-3.21!) USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000172 USER MOD Single : A 63 HIS : no HD1:sc= -24.7! C(o=-25!,f=-24!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -4.17! C(o=-4.2!,f=-4.5!) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.358 (180deg=-1.86!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -10.7! C(o=-11!,f=-30!) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 1.14 (180deg=1.03) USER MOD Single : A 85 GLN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -126:sc= -0.491 (180deg=-1.53!) USER MOD Single : A 91 SER OG : rot -109:sc= -6.15! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 43:sc= 0.312 USER MOD Single : A 104 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.23) USER MOD Single : A 105 THR OG1 : rot -153:sc= -5.78! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-2!) USER MOD Single : A 121 SER OG : rot 45:sc= 0.517 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -9.464 -4.636 6.248 1.00 1.00 N ATOM 2 CA SER A 2 -8.198 -3.871 6.062 1.00 1.00 C ATOM 3 C SER A 2 -7.512 -3.646 7.412 1.00 1.00 C ATOM 4 O SER A 2 -7.949 -2.845 8.216 1.00 1.00 O ATOM 5 CB SER A 2 -8.628 -2.537 5.453 1.00 1.00 C ATOM 6 OG SER A 2 -7.912 -2.321 4.244 1.00 1.00 O ATOM 0 HA SER A 2 -7.486 -4.400 5.428 1.00 1.00 H new ATOM 0 HB2 SER A 2 -9.700 -2.542 5.258 1.00 1.00 H new ATOM 0 HB3 SER A 2 -8.435 -1.725 6.154 1.00 1.00 H new ATOM 0 HG SER A 2 -8.527 -2.386 3.484 1.00 1.00 H new ATOM 12 N ASN A 3 -6.441 -4.346 7.668 1.00 1.00 N ATOM 13 CA ASN A 3 -5.729 -4.171 8.967 1.00 1.00 C ATOM 14 C ASN A 3 -4.573 -3.180 8.807 1.00 1.00 C ATOM 15 O ASN A 3 -4.436 -2.244 9.568 1.00 1.00 O ATOM 16 CB ASN A 3 -5.201 -5.561 9.319 1.00 1.00 C ATOM 17 CG ASN A 3 -5.266 -5.764 10.834 1.00 1.00 C ATOM 18 OD1 ASN A 3 -5.297 -4.809 11.585 1.00 1.00 O ATOM 19 ND2 ASN A 3 -5.291 -6.975 11.317 1.00 1.00 N ATOM 0 H ASN A 3 -6.028 -5.031 7.035 1.00 1.00 H new ATOM 0 HA ASN A 3 -6.380 -3.774 9.746 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -5.792 -6.325 8.814 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -4.174 -5.670 8.971 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -5.337 -7.121 12.325 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -5.265 -7.776 10.686 1.00 1.00 H new ATOM 26 N GLN A 4 -3.740 -3.379 7.821 1.00 1.00 N ATOM 27 CA GLN A 4 -2.594 -2.447 7.614 1.00 1.00 C ATOM 28 C GLN A 4 -2.768 -1.677 6.304 1.00 1.00 C ATOM 29 O GLN A 4 -3.733 -1.857 5.588 1.00 1.00 O ATOM 30 CB GLN A 4 -1.359 -3.345 7.543 1.00 1.00 C ATOM 31 CG GLN A 4 -1.029 -3.871 8.941 1.00 1.00 C ATOM 32 CD GLN A 4 -1.422 -5.346 9.039 1.00 1.00 C ATOM 33 OE1 GLN A 4 -2.468 -5.675 9.562 1.00 1.00 O ATOM 34 NE2 GLN A 4 -0.623 -6.256 8.554 1.00 1.00 N ATOM 0 H GLN A 4 -3.803 -4.145 7.151 1.00 1.00 H new ATOM 0 HA GLN A 4 -2.517 -1.708 8.411 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -1.540 -4.177 6.863 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.512 -2.786 7.144 1.00 1.00 H new ATOM 0 HG2 GLN A 4 0.036 -3.753 9.143 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -1.562 -3.291 9.694 1.00 1.00 H new ATOM 0 HE21 GLN A 4 0.256 -5.981 8.115 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -0.877 -7.242 8.614 1.00 1.00 H new ATOM 43 N ILE A 5 -1.837 -0.820 5.982 1.00 1.00 N ATOM 44 CA ILE A 5 -1.944 -0.041 4.717 1.00 1.00 C ATOM 45 C ILE A 5 -0.709 -0.287 3.844 1.00 1.00 C ATOM 46 O ILE A 5 0.413 -0.187 4.299 1.00 1.00 O ATOM 47 CB ILE A 5 -2.015 1.420 5.158 1.00 1.00 C ATOM 48 CG1 ILE A 5 -3.480 1.855 5.243 1.00 1.00 C ATOM 49 CG2 ILE A 5 -1.282 2.299 4.143 1.00 1.00 C ATOM 50 CD1 ILE A 5 -3.565 3.253 5.857 1.00 1.00 C ATOM 0 H ILE A 5 -1.006 -0.626 6.542 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.813 -0.326 4.123 1.00 1.00 H new ATOM 0 HB ILE A 5 -1.545 1.526 6.135 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -3.928 1.855 4.249 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.046 1.146 5.848 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -1.334 3.341 4.459 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -0.239 1.990 4.081 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -1.751 2.193 3.165 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -4.609 3.561 5.917 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -3.133 3.238 6.858 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -3.014 3.958 5.235 1.00 1.00 H new ATOM 62 N TYR A 6 -0.907 -0.612 2.596 1.00 1.00 N ATOM 63 CA TYR A 6 0.257 -0.867 1.699 1.00 1.00 C ATOM 64 C TYR A 6 -0.076 -0.447 0.265 1.00 1.00 C ATOM 65 O TYR A 6 -1.223 -0.419 -0.134 1.00 1.00 O ATOM 66 CB TYR A 6 0.493 -2.376 1.775 1.00 1.00 C ATOM 67 CG TYR A 6 1.587 -2.664 2.775 1.00 1.00 C ATOM 68 CD1 TYR A 6 1.293 -2.706 4.144 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.897 -2.891 2.334 1.00 1.00 C ATOM 70 CE1 TYR A 6 2.308 -2.975 5.070 1.00 1.00 C ATOM 71 CE2 TYR A 6 3.912 -3.159 3.261 1.00 1.00 C ATOM 72 CZ TYR A 6 3.618 -3.201 4.629 1.00 1.00 C ATOM 73 OH TYR A 6 4.617 -3.465 5.542 1.00 1.00 O ATOM 0 H TYR A 6 -1.823 -0.712 2.158 1.00 1.00 H new ATOM 0 HA TYR A 6 1.139 -0.301 1.998 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.426 -2.884 2.068 1.00 1.00 H new ATOM 0 HB3 TYR A 6 0.771 -2.761 0.794 1.00 1.00 H new ATOM 0 HD1 TYR A 6 0.283 -2.531 4.485 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.124 -2.859 1.279 1.00 1.00 H new ATOM 0 HE1 TYR A 6 2.081 -3.008 6.125 1.00 1.00 H new ATOM 0 HE2 TYR A 6 4.922 -3.333 2.920 1.00 1.00 H new ATOM 0 HH TYR A 6 5.465 -3.599 5.069 1.00 1.00 H new ATOM 83 N SER A 7 0.919 -0.117 -0.511 1.00 1.00 N ATOM 84 CA SER A 7 0.661 0.303 -1.918 1.00 1.00 C ATOM 85 C SER A 7 1.341 -0.655 -2.900 1.00 1.00 C ATOM 86 O SER A 7 2.389 -1.206 -2.624 1.00 1.00 O ATOM 87 CB SER A 7 1.269 1.699 -2.031 1.00 1.00 C ATOM 88 OG SER A 7 0.227 2.656 -2.161 1.00 1.00 O ATOM 0 H SER A 7 1.900 -0.120 -0.232 1.00 1.00 H new ATOM 0 HA SER A 7 -0.402 0.296 -2.157 1.00 1.00 H new ATOM 0 HB2 SER A 7 1.872 1.918 -1.150 1.00 1.00 H new ATOM 0 HB3 SER A 7 1.934 1.750 -2.893 1.00 1.00 H new ATOM 0 HG SER A 7 -0.579 2.325 -1.712 1.00 1.00 H new ATOM 94 N ALA A 8 0.750 -0.854 -4.046 1.00 1.00 N ATOM 95 CA ALA A 8 1.357 -1.771 -5.053 1.00 1.00 C ATOM 96 C ALA A 8 1.231 -1.166 -6.455 1.00 1.00 C ATOM 97 O ALA A 8 0.251 -0.525 -6.778 1.00 1.00 O ATOM 98 CB ALA A 8 0.548 -3.064 -4.950 1.00 1.00 C ATOM 0 H ALA A 8 -0.129 -0.420 -4.329 1.00 1.00 H new ATOM 0 HA ALA A 8 2.418 -1.942 -4.873 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.934 -3.793 -5.663 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.630 -3.465 -3.940 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.498 -2.857 -5.174 1.00 1.00 H new ATOM 104 N ARG A 9 2.216 -1.362 -7.291 1.00 1.00 N ATOM 105 CA ARG A 9 2.147 -0.793 -8.669 1.00 1.00 C ATOM 106 C ARG A 9 2.132 -1.916 -9.709 1.00 1.00 C ATOM 107 O ARG A 9 3.136 -2.554 -9.962 1.00 1.00 O ATOM 108 CB ARG A 9 3.412 0.054 -8.814 1.00 1.00 C ATOM 109 CG ARG A 9 3.056 1.406 -9.436 1.00 1.00 C ATOM 110 CD ARG A 9 3.691 1.513 -10.825 1.00 1.00 C ATOM 111 NE ARG A 9 5.156 1.396 -10.587 1.00 1.00 N ATOM 112 CZ ARG A 9 5.897 2.469 -10.531 1.00 1.00 C ATOM 113 NH1 ARG A 9 5.353 3.646 -10.685 1.00 1.00 N ATOM 114 NH2 ARG A 9 7.181 2.367 -10.322 1.00 1.00 N ATOM 0 H ARG A 9 3.063 -1.890 -7.080 1.00 1.00 H new ATOM 0 HA ARG A 9 1.242 -0.205 -8.825 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.877 0.202 -7.839 1.00 1.00 H new ATOM 0 HB3 ARG A 9 4.140 -0.465 -9.438 1.00 1.00 H new ATOM 0 HG2 ARG A 9 1.974 1.510 -9.510 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.411 2.216 -8.799 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.334 0.722 -11.485 1.00 1.00 H new ATOM 0 HD3 ARG A 9 3.443 2.462 -11.301 1.00 1.00 H new ATOM 0 HE ARG A 9 5.581 0.476 -10.468 1.00 1.00 H new ATOM 0 HH11 ARG A 9 4.349 3.727 -10.849 1.00 1.00 H new ATOM 0 HH12 ARG A 9 5.932 4.485 -10.641 1.00 1.00 H new ATOM 0 HH21 ARG A 9 7.607 1.448 -10.202 1.00 1.00 H new ATOM 0 HH22 ARG A 9 7.759 3.206 -10.278 1.00 1.00 H new ATOM 127 N TYR A 10 1.003 -2.163 -10.316 1.00 1.00 N ATOM 128 CA TYR A 10 0.929 -3.243 -11.340 1.00 1.00 C ATOM 129 C TYR A 10 -0.037 -2.851 -12.462 1.00 1.00 C ATOM 130 O TYR A 10 -0.801 -1.914 -12.339 1.00 1.00 O ATOM 131 CB TYR A 10 0.406 -4.467 -10.587 1.00 1.00 C ATOM 132 CG TYR A 10 1.058 -4.543 -9.228 1.00 1.00 C ATOM 133 CD1 TYR A 10 2.454 -4.582 -9.122 1.00 1.00 C ATOM 134 CD2 TYR A 10 0.269 -4.575 -8.072 1.00 1.00 C ATOM 135 CE1 TYR A 10 3.060 -4.653 -7.862 1.00 1.00 C ATOM 136 CE2 TYR A 10 0.874 -4.645 -6.812 1.00 1.00 C ATOM 137 CZ TYR A 10 2.270 -4.684 -6.707 1.00 1.00 C ATOM 138 OH TYR A 10 2.866 -4.753 -5.465 1.00 1.00 O ATOM 0 H TYR A 10 0.130 -1.664 -10.147 1.00 1.00 H new ATOM 0 HA TYR A 10 1.895 -3.432 -11.808 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.677 -4.405 -10.479 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.618 -5.373 -11.154 1.00 1.00 H new ATOM 0 HD1 TYR A 10 3.064 -4.557 -10.013 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -0.808 -4.546 -8.153 1.00 1.00 H new ATOM 0 HE1 TYR A 10 4.137 -4.684 -7.781 1.00 1.00 H new ATOM 0 HE2 TYR A 10 0.264 -4.669 -5.921 1.00 1.00 H new ATOM 0 HH TYR A 10 3.740 -4.312 -5.497 1.00 1.00 H new ATOM 148 N SER A 11 -0.012 -3.570 -13.550 1.00 1.00 N ATOM 149 CA SER A 11 -0.931 -3.255 -14.682 1.00 1.00 C ATOM 150 C SER A 11 -0.743 -1.809 -15.157 1.00 1.00 C ATOM 151 O SER A 11 -1.679 -1.164 -15.586 1.00 1.00 O ATOM 152 CB SER A 11 -2.336 -3.450 -14.116 1.00 1.00 C ATOM 153 OG SER A 11 -2.973 -2.186 -13.991 1.00 1.00 O ATOM 0 H SER A 11 0.607 -4.365 -13.705 1.00 1.00 H new ATOM 0 HA SER A 11 -0.740 -3.892 -15.546 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.917 -4.099 -14.771 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.284 -3.941 -13.144 1.00 1.00 H new ATOM 0 HG SER A 11 -2.998 -1.744 -14.865 1.00 1.00 H new ATOM 159 N GLY A 12 0.458 -1.299 -15.101 1.00 1.00 N ATOM 160 CA GLY A 12 0.693 0.099 -15.569 1.00 1.00 C ATOM 161 C GLY A 12 0.084 1.097 -14.581 1.00 1.00 C ATOM 162 O GLY A 12 0.235 2.294 -14.726 1.00 1.00 O ATOM 0 H GLY A 12 1.284 -1.787 -14.753 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.763 0.282 -15.669 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.252 0.239 -16.556 1.00 1.00 H new ATOM 166 N VAL A 13 -0.602 0.621 -13.580 1.00 1.00 N ATOM 167 CA VAL A 13 -1.217 1.555 -12.592 1.00 1.00 C ATOM 168 C VAL A 13 -0.910 1.096 -11.166 1.00 1.00 C ATOM 169 O VAL A 13 -0.907 -0.084 -10.871 1.00 1.00 O ATOM 170 CB VAL A 13 -2.720 1.487 -12.865 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.481 2.104 -11.690 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.040 2.265 -14.144 1.00 1.00 C ATOM 0 H VAL A 13 -0.764 -0.370 -13.402 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.830 2.570 -12.688 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.021 0.446 -12.986 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.552 2.056 -11.885 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.252 1.552 -10.778 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.181 3.145 -11.569 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.111 2.218 -14.340 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.739 3.306 -14.022 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.498 1.827 -14.982 1.00 1.00 H new ATOM 182 N ASP A 14 -0.645 2.016 -10.279 1.00 1.00 N ATOM 183 CA ASP A 14 -0.332 1.627 -8.876 1.00 1.00 C ATOM 184 C ASP A 14 -1.622 1.351 -8.100 1.00 1.00 C ATOM 185 O ASP A 14 -2.692 1.783 -8.479 1.00 1.00 O ATOM 186 CB ASP A 14 0.401 2.831 -8.284 1.00 1.00 C ATOM 187 CG ASP A 14 0.640 2.602 -6.790 1.00 1.00 C ATOM 188 OD1 ASP A 14 0.815 1.456 -6.408 1.00 1.00 O ATOM 189 OD2 ASP A 14 0.643 3.575 -6.055 1.00 1.00 O ATOM 0 H ASP A 14 -0.632 3.019 -10.465 1.00 1.00 H new ATOM 0 HA ASP A 14 0.268 0.718 -8.826 1.00 1.00 H new ATOM 0 HB2 ASP A 14 1.352 2.979 -8.796 1.00 1.00 H new ATOM 0 HB3 ASP A 14 -0.186 3.737 -8.434 1.00 1.00 H new ATOM 194 N VAL A 15 -1.526 0.629 -7.018 1.00 1.00 N ATOM 195 CA VAL A 15 -2.741 0.317 -6.214 1.00 1.00 C ATOM 196 C VAL A 15 -2.377 0.212 -4.732 1.00 1.00 C ATOM 197 O VAL A 15 -1.230 0.343 -4.353 1.00 1.00 O ATOM 198 CB VAL A 15 -3.233 -1.030 -6.746 1.00 1.00 C ATOM 199 CG1 VAL A 15 -4.516 -0.824 -7.552 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.159 -1.645 -7.647 1.00 1.00 C ATOM 0 H VAL A 15 -0.656 0.240 -6.655 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.505 1.090 -6.299 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.434 -1.699 -5.909 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.866 -1.784 -7.931 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.282 -0.386 -6.912 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -4.316 -0.155 -8.389 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.509 -2.605 -8.027 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.958 -0.975 -8.483 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.244 -1.793 -7.073 1.00 1.00 H new ATOM 210 N TYR A 16 -3.343 -0.028 -3.889 1.00 1.00 N ATOM 211 CA TYR A 16 -3.055 -0.146 -2.431 1.00 1.00 C ATOM 212 C TYR A 16 -3.260 -1.595 -1.980 1.00 1.00 C ATOM 213 O TYR A 16 -4.040 -2.326 -2.554 1.00 1.00 O ATOM 214 CB TYR A 16 -4.060 0.781 -1.751 1.00 1.00 C ATOM 215 CG TYR A 16 -3.774 2.210 -2.144 1.00 1.00 C ATOM 216 CD1 TYR A 16 -4.172 2.685 -3.399 1.00 1.00 C ATOM 217 CD2 TYR A 16 -3.109 3.061 -1.253 1.00 1.00 C ATOM 218 CE1 TYR A 16 -3.905 4.011 -3.763 1.00 1.00 C ATOM 219 CE2 TYR A 16 -2.842 4.385 -1.616 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.240 4.861 -2.871 1.00 1.00 C ATOM 221 OH TYR A 16 -2.977 6.167 -3.230 1.00 1.00 O ATOM 0 H TYR A 16 -4.322 -0.148 -4.147 1.00 1.00 H new ATOM 0 HA TYR A 16 -2.029 0.125 -2.183 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -5.075 0.509 -2.041 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.997 0.671 -0.668 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -4.685 2.029 -4.087 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -2.802 2.695 -0.285 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -4.212 4.378 -4.731 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -2.329 5.040 -0.928 1.00 1.00 H new ATOM 0 HH TYR A 16 -2.511 6.620 -2.497 1.00 1.00 H new ATOM 231 N GLU A 17 -2.561 -2.024 -0.965 1.00 1.00 N ATOM 232 CA GLU A 17 -2.724 -3.430 -0.500 1.00 1.00 C ATOM 233 C GLU A 17 -2.842 -3.490 1.025 1.00 1.00 C ATOM 234 O GLU A 17 -1.869 -3.346 1.740 1.00 1.00 O ATOM 235 CB GLU A 17 -1.458 -4.149 -0.968 1.00 1.00 C ATOM 236 CG GLU A 17 -0.243 -3.247 -0.736 1.00 1.00 C ATOM 237 CD GLU A 17 0.995 -4.111 -0.489 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.901 -5.313 -0.675 1.00 1.00 O ATOM 239 OE2 GLU A 17 2.016 -3.557 -0.119 1.00 1.00 O ATOM 0 H GLU A 17 -1.888 -1.465 -0.440 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.630 -3.887 -0.898 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.337 -5.086 -0.425 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.540 -4.402 -2.025 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -0.084 -2.604 -1.602 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.420 -2.594 0.118 1.00 1.00 H new ATOM 246 N PHE A 18 -4.026 -3.718 1.530 1.00 1.00 N ATOM 247 CA PHE A 18 -4.204 -3.805 3.008 1.00 1.00 C ATOM 248 C PHE A 18 -4.962 -5.086 3.364 1.00 1.00 C ATOM 249 O PHE A 18 -5.799 -5.550 2.617 1.00 1.00 O ATOM 250 CB PHE A 18 -5.027 -2.577 3.401 1.00 1.00 C ATOM 251 CG PHE A 18 -5.151 -1.638 2.225 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.183 -0.647 2.018 1.00 1.00 C ATOM 253 CD2 PHE A 18 -6.235 -1.752 1.349 1.00 1.00 C ATOM 254 CE1 PHE A 18 -4.302 0.227 0.932 1.00 1.00 C ATOM 255 CE2 PHE A 18 -6.354 -0.877 0.264 1.00 1.00 C ATOM 256 CZ PHE A 18 -5.388 0.113 0.055 1.00 1.00 C ATOM 0 H PHE A 18 -4.877 -3.848 0.982 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.249 -3.830 3.532 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.017 -2.885 3.736 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.553 -2.064 4.238 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.347 -0.558 2.695 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -6.981 -2.516 1.510 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -3.556 0.990 0.770 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -7.191 -0.966 -0.412 1.00 1.00 H new ATOM 0 HZ PHE A 18 -5.480 0.789 -0.782 1.00 1.00 H new ATOM 266 N ILE A 19 -4.676 -5.662 4.499 1.00 1.00 N ATOM 267 CA ILE A 19 -5.385 -6.911 4.898 1.00 1.00 C ATOM 268 C ILE A 19 -6.748 -6.574 5.502 1.00 1.00 C ATOM 269 O ILE A 19 -6.857 -5.777 6.412 1.00 1.00 O ATOM 270 CB ILE A 19 -4.480 -7.565 5.943 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.034 -7.122 5.714 1.00 1.00 C ATOM 272 CG2 ILE A 19 -4.572 -9.087 5.818 1.00 1.00 C ATOM 273 CD1 ILE A 19 -2.664 -7.323 4.243 1.00 1.00 C ATOM 0 H ILE A 19 -3.983 -5.323 5.167 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.569 -7.571 4.050 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.800 -7.262 6.940 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.916 -6.074 5.990 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.361 -7.697 6.351 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -3.927 -9.553 6.563 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.602 -9.404 5.981 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -4.253 -9.390 4.821 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.634 -7.007 4.081 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -2.766 -8.377 3.983 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -3.329 -6.729 3.616 1.00 1.00 H new ATOM 285 N HIS A 20 -7.787 -7.180 5.001 1.00 1.00 N ATOM 286 CA HIS A 20 -9.147 -6.905 5.540 1.00 1.00 C ATOM 287 C HIS A 20 -9.983 -8.184 5.509 1.00 1.00 C ATOM 288 O HIS A 20 -9.492 -9.263 5.781 1.00 1.00 O ATOM 289 CB HIS A 20 -9.740 -5.852 4.604 1.00 1.00 C ATOM 290 CG HIS A 20 -11.105 -5.456 5.096 1.00 1.00 C ATOM 291 ND1 HIS A 20 -11.627 -5.935 6.287 1.00 1.00 N ATOM 292 CD2 HIS A 20 -12.067 -4.630 4.570 1.00 1.00 C ATOM 293 CE1 HIS A 20 -12.852 -5.398 6.438 1.00 1.00 C ATOM 294 NE2 HIS A 20 -13.169 -4.595 5.419 1.00 1.00 N ATOM 0 H HIS A 20 -7.753 -7.857 4.238 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.125 -6.559 6.573 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.089 -4.979 4.563 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -9.808 -6.247 3.591 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -11.982 -4.090 3.639 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -13.499 -5.593 7.280 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -14.033 -4.069 5.291 1.00 1.00 H new ATOM 302 N SER A 21 -11.237 -8.080 5.170 1.00 1.00 N ATOM 303 CA SER A 21 -12.090 -9.299 5.114 1.00 1.00 C ATOM 304 C SER A 21 -11.548 -10.263 4.057 1.00 1.00 C ATOM 305 O SER A 21 -11.504 -11.461 4.257 1.00 1.00 O ATOM 306 CB SER A 21 -13.477 -8.794 4.722 1.00 1.00 C ATOM 307 OG SER A 21 -13.637 -7.456 5.175 1.00 1.00 O ATOM 0 H SER A 21 -11.707 -7.207 4.930 1.00 1.00 H new ATOM 0 HA SER A 21 -12.110 -9.839 6.061 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.601 -8.841 3.640 1.00 1.00 H new ATOM 0 HB3 SER A 21 -14.245 -9.432 5.159 1.00 1.00 H new ATOM 0 HG SER A 21 -13.985 -7.460 6.091 1.00 1.00 H new ATOM 313 N THR A 22 -11.126 -9.746 2.935 1.00 1.00 N ATOM 314 CA THR A 22 -10.577 -10.625 1.865 1.00 1.00 C ATOM 315 C THR A 22 -9.054 -10.679 1.972 1.00 1.00 C ATOM 316 O THR A 22 -8.367 -11.063 1.046 1.00 1.00 O ATOM 317 CB THR A 22 -11.000 -9.963 0.552 1.00 1.00 C ATOM 318 OG1 THR A 22 -11.521 -10.951 -0.327 1.00 1.00 O ATOM 319 CG2 THR A 22 -9.789 -9.289 -0.095 1.00 1.00 C ATOM 0 H THR A 22 -11.138 -8.750 2.713 1.00 1.00 H new ATOM 0 HA THR A 22 -10.942 -11.649 1.937 1.00 1.00 H new ATOM 0 HB THR A 22 -11.766 -9.213 0.752 1.00 1.00 H new ATOM 0 HG1 THR A 22 -11.281 -10.726 -1.250 1.00 1.00 H new ATOM 0 HG21 THR A 22 -10.091 -8.818 -1.030 1.00 1.00 H new ATOM 0 HG22 THR A 22 -9.390 -8.532 0.580 1.00 1.00 H new ATOM 0 HG23 THR A 22 -9.021 -10.036 -0.297 1.00 1.00 H new ATOM 327 N GLY A 23 -8.520 -10.279 3.092 1.00 1.00 N ATOM 328 CA GLY A 23 -7.041 -10.289 3.255 1.00 1.00 C ATOM 329 C GLY A 23 -6.493 -8.915 2.867 1.00 1.00 C ATOM 330 O GLY A 23 -6.844 -7.912 3.455 1.00 1.00 O ATOM 0 H GLY A 23 -9.044 -9.946 3.901 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.777 -10.523 4.286 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.597 -11.063 2.628 1.00 1.00 H new ATOM 334 N SER A 24 -5.644 -8.857 1.879 1.00 1.00 N ATOM 335 CA SER A 24 -5.084 -7.541 1.459 1.00 1.00 C ATOM 336 C SER A 24 -6.110 -6.769 0.626 1.00 1.00 C ATOM 337 O SER A 24 -6.761 -7.317 -0.241 1.00 1.00 O ATOM 338 CB SER A 24 -3.857 -7.883 0.615 1.00 1.00 C ATOM 339 OG SER A 24 -2.980 -8.703 1.376 1.00 1.00 O ATOM 0 H SER A 24 -5.314 -9.661 1.345 1.00 1.00 H new ATOM 0 HA SER A 24 -4.830 -6.911 2.311 1.00 1.00 H new ATOM 0 HB2 SER A 24 -4.160 -8.401 -0.295 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.346 -6.970 0.308 1.00 1.00 H new ATOM 0 HG SER A 24 -2.799 -9.532 0.885 1.00 1.00 H new ATOM 345 N ILE A 25 -6.252 -5.497 0.880 1.00 1.00 N ATOM 346 CA ILE A 25 -7.229 -4.684 0.102 1.00 1.00 C ATOM 347 C ILE A 25 -6.491 -3.588 -0.668 1.00 1.00 C ATOM 348 O ILE A 25 -5.727 -2.829 -0.106 1.00 1.00 O ATOM 349 CB ILE A 25 -8.161 -4.070 1.147 1.00 1.00 C ATOM 350 CG1 ILE A 25 -9.073 -5.159 1.717 1.00 1.00 C ATOM 351 CG2 ILE A 25 -9.014 -2.981 0.493 1.00 1.00 C ATOM 352 CD1 ILE A 25 -8.334 -6.498 1.714 1.00 1.00 C ATOM 0 H ILE A 25 -5.733 -4.985 1.593 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.778 -5.279 -0.628 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.569 -3.633 1.951 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.375 -4.901 2.732 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -9.984 -5.233 1.123 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.679 -2.543 1.238 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.365 -2.206 0.085 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.607 -3.417 -0.311 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -8.984 -7.273 2.120 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -8.054 -6.757 0.693 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -7.436 -6.419 2.327 1.00 1.00 H new ATOM 364 N MET A 26 -6.708 -3.501 -1.950 1.00 1.00 N ATOM 365 CA MET A 26 -6.009 -2.454 -2.748 1.00 1.00 C ATOM 366 C MET A 26 -7.020 -1.558 -3.466 1.00 1.00 C ATOM 367 O MET A 26 -7.911 -2.026 -4.146 1.00 1.00 O ATOM 368 CB MET A 26 -5.162 -3.226 -3.761 1.00 1.00 C ATOM 369 CG MET A 26 -4.367 -4.314 -3.036 1.00 1.00 C ATOM 370 SD MET A 26 -2.620 -4.190 -3.496 1.00 1.00 S ATOM 371 CE MET A 26 -2.865 -4.033 -5.281 1.00 1.00 C ATOM 0 H MET A 26 -7.336 -4.106 -2.479 1.00 1.00 H new ATOM 0 HA MET A 26 -5.403 -1.800 -2.121 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.803 -3.674 -4.521 1.00 1.00 H new ATOM 0 HB3 MET A 26 -4.483 -2.547 -4.276 1.00 1.00 H new ATOM 0 HG2 MET A 26 -4.479 -4.204 -1.957 1.00 1.00 H new ATOM 0 HG3 MET A 26 -4.754 -5.299 -3.298 1.00 1.00 H new ATOM 0 HE1 MET A 26 -2.098 -3.381 -5.698 1.00 1.00 H new ATOM 0 HE2 MET A 26 -2.796 -5.017 -5.746 1.00 1.00 H new ATOM 0 HE3 MET A 26 -3.849 -3.607 -5.477 1.00 1.00 H new ATOM 381 N LYS A 27 -6.881 -0.269 -3.320 1.00 1.00 N ATOM 382 CA LYS A 27 -7.826 0.666 -3.995 1.00 1.00 C ATOM 383 C LYS A 27 -7.149 1.310 -5.207 1.00 1.00 C ATOM 384 O LYS A 27 -5.940 1.319 -5.323 1.00 1.00 O ATOM 385 CB LYS A 27 -8.155 1.723 -2.940 1.00 1.00 C ATOM 386 CG LYS A 27 -7.111 1.676 -1.823 1.00 1.00 C ATOM 387 CD LYS A 27 -7.720 2.226 -0.531 1.00 1.00 C ATOM 388 CE LYS A 27 -6.623 2.386 0.524 1.00 1.00 C ATOM 389 NZ LYS A 27 -7.191 3.328 1.528 1.00 1.00 N ATOM 0 H LYS A 27 -6.153 0.178 -2.762 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.721 0.162 -4.360 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -8.171 2.713 -3.395 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -9.149 1.545 -2.530 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -6.772 0.651 -1.670 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -6.236 2.263 -2.104 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -8.198 3.187 -0.722 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -8.495 1.552 -0.166 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.370 1.428 0.979 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.707 2.782 0.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.497 3.488 2.285 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -7.416 4.233 1.067 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -8.058 2.922 1.934 1.00 1.00 H new ATOM 402 N ARG A 28 -7.917 1.850 -6.113 1.00 1.00 N ATOM 403 CA ARG A 28 -7.312 2.493 -7.315 1.00 1.00 C ATOM 404 C ARG A 28 -6.804 3.893 -6.961 1.00 1.00 C ATOM 405 O ARG A 28 -7.554 4.745 -6.529 1.00 1.00 O ATOM 406 CB ARG A 28 -8.447 2.573 -8.337 1.00 1.00 C ATOM 407 CG ARG A 28 -8.171 1.601 -9.485 1.00 1.00 C ATOM 408 CD ARG A 28 -9.492 1.203 -10.146 1.00 1.00 C ATOM 409 NE ARG A 28 -9.157 0.027 -10.996 1.00 1.00 N ATOM 410 CZ ARG A 28 -8.431 0.183 -12.069 1.00 1.00 C ATOM 411 NH1 ARG A 28 -7.999 1.369 -12.398 1.00 1.00 N ATOM 412 NH2 ARG A 28 -8.138 -0.848 -12.814 1.00 1.00 N ATOM 0 H ARG A 28 -8.936 1.874 -6.074 1.00 1.00 H new ATOM 0 HA ARG A 28 -6.460 1.933 -7.700 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -9.397 2.329 -7.861 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.534 3.590 -8.720 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -7.511 2.065 -10.218 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -7.658 0.715 -9.110 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -10.246 0.950 -9.401 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -9.896 2.020 -10.744 1.00 1.00 H new ATOM 0 HE ARG A 28 -9.495 -0.901 -10.739 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -8.229 2.175 -11.816 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -7.432 1.491 -13.237 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -8.477 -1.775 -12.557 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -7.571 -0.726 -13.653 1.00 1.00 H new ATOM 425 N LYS A 29 -5.534 4.137 -7.139 1.00 1.00 N ATOM 426 CA LYS A 29 -4.979 5.482 -6.811 1.00 1.00 C ATOM 427 C LYS A 29 -5.653 6.557 -7.668 1.00 1.00 C ATOM 428 O LYS A 29 -6.012 7.614 -7.187 1.00 1.00 O ATOM 429 CB LYS A 29 -3.491 5.389 -7.138 1.00 1.00 C ATOM 430 CG LYS A 29 -2.863 6.783 -7.065 1.00 1.00 C ATOM 431 CD LYS A 29 -2.310 7.168 -8.437 1.00 1.00 C ATOM 432 CE LYS A 29 -1.377 8.373 -8.292 1.00 1.00 C ATOM 433 NZ LYS A 29 -0.004 7.797 -8.285 1.00 1.00 N ATOM 0 H LYS A 29 -4.857 3.464 -7.497 1.00 1.00 H new ATOM 0 HA LYS A 29 -5.149 5.755 -5.770 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.995 4.718 -6.436 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.352 4.968 -8.134 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -3.607 7.512 -6.744 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -2.064 6.795 -6.323 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -1.770 6.327 -8.872 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.128 7.408 -9.116 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.507 9.074 -9.116 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -1.580 8.921 -7.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 0.693 8.563 -8.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 0.092 7.138 -7.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 0.163 7.287 -9.176 1.00 1.00 H new ATOM 446 N LYS A 30 -5.824 6.298 -8.935 1.00 1.00 N ATOM 447 CA LYS A 30 -6.471 7.307 -9.824 1.00 1.00 C ATOM 448 C LYS A 30 -7.700 7.912 -9.139 1.00 1.00 C ATOM 449 O LYS A 30 -7.782 9.107 -8.938 1.00 1.00 O ATOM 450 CB LYS A 30 -6.884 6.527 -11.072 1.00 1.00 C ATOM 451 CG LYS A 30 -5.640 6.184 -11.896 1.00 1.00 C ATOM 452 CD LYS A 30 -5.756 4.753 -12.425 1.00 1.00 C ATOM 453 CE LYS A 30 -4.546 4.434 -13.306 1.00 1.00 C ATOM 454 NZ LYS A 30 -4.278 5.690 -14.058 1.00 1.00 N ATOM 0 H LYS A 30 -5.544 5.431 -9.394 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.803 8.135 -10.061 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.407 5.614 -10.787 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.578 7.118 -11.670 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.537 6.883 -12.726 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -4.745 6.284 -11.282 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.809 4.050 -11.594 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.676 4.639 -12.998 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -3.685 4.142 -12.704 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.757 3.606 -13.983 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -3.641 5.488 -14.855 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.174 6.076 -14.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -3.831 6.385 -13.426 1.00 1.00 H new ATOM 467 N ASP A 31 -8.656 7.099 -8.783 1.00 1.00 N ATOM 468 CA ASP A 31 -9.878 7.633 -8.115 1.00 1.00 C ATOM 469 C ASP A 31 -9.977 7.102 -6.681 1.00 1.00 C ATOM 470 O ASP A 31 -11.004 7.204 -6.041 1.00 1.00 O ATOM 471 CB ASP A 31 -11.047 7.123 -8.958 1.00 1.00 C ATOM 472 CG ASP A 31 -11.911 8.303 -9.401 1.00 1.00 C ATOM 473 OD1 ASP A 31 -11.770 9.367 -8.820 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.701 8.125 -10.314 1.00 1.00 O ATOM 0 H ASP A 31 -8.645 6.089 -8.925 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.868 8.721 -8.049 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.673 6.585 -9.829 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.645 6.418 -8.381 1.00 1.00 H new ATOM 479 N ASP A 32 -8.916 6.537 -6.173 1.00 1.00 N ATOM 480 CA ASP A 32 -8.952 6.002 -4.782 1.00 1.00 C ATOM 481 C ASP A 32 -10.053 4.946 -4.647 1.00 1.00 C ATOM 482 O ASP A 32 -10.828 4.959 -3.713 1.00 1.00 O ATOM 483 CB ASP A 32 -9.261 7.212 -3.900 1.00 1.00 C ATOM 484 CG ASP A 32 -8.162 8.262 -4.068 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.064 8.022 -3.595 1.00 1.00 O ATOM 486 OD2 ASP A 32 -8.436 9.288 -4.667 1.00 1.00 O ATOM 0 H ASP A 32 -8.027 6.423 -6.660 1.00 1.00 H new ATOM 0 HA ASP A 32 -8.015 5.521 -4.502 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -10.228 7.636 -4.172 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -9.329 6.906 -2.856 1.00 1.00 H new ATOM 491 N TRP A 33 -10.125 4.030 -5.574 1.00 1.00 N ATOM 492 CA TRP A 33 -11.175 2.974 -5.499 1.00 1.00 C ATOM 493 C TRP A 33 -10.826 1.960 -4.406 1.00 1.00 C ATOM 494 O TRP A 33 -9.685 1.824 -4.016 1.00 1.00 O ATOM 495 CB TRP A 33 -11.165 2.302 -6.873 1.00 1.00 C ATOM 496 CG TRP A 33 -11.079 3.344 -7.943 1.00 1.00 C ATOM 497 CD1 TRP A 33 -10.015 4.152 -8.159 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.073 3.699 -8.947 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.295 4.982 -9.231 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.551 4.741 -9.750 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.365 3.225 -9.237 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -12.283 5.292 -10.802 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.105 3.778 -10.295 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.565 4.810 -11.076 1.00 1.00 C ATOM 0 H TRP A 33 -9.503 3.967 -6.380 1.00 1.00 H new ATOM 0 HA TRP A 33 -12.155 3.384 -5.254 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -10.319 1.619 -6.948 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.068 1.706 -7.004 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -9.098 4.150 -7.589 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.652 5.686 -9.593 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.791 2.431 -8.642 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.861 6.086 -11.401 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.096 3.406 -10.508 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -14.139 5.231 -11.888 1.00 1.00 H new ATOM 515 N VAL A 34 -11.801 1.247 -3.910 1.00 1.00 N ATOM 516 CA VAL A 34 -11.522 0.242 -2.845 1.00 1.00 C ATOM 517 C VAL A 34 -12.153 -1.103 -3.215 1.00 1.00 C ATOM 518 O VAL A 34 -13.207 -1.160 -3.818 1.00 1.00 O ATOM 519 CB VAL A 34 -12.171 0.813 -1.584 1.00 1.00 C ATOM 520 CG1 VAL A 34 -11.593 0.114 -0.352 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.885 2.314 -1.499 1.00 1.00 C ATOM 0 H VAL A 34 -12.778 1.317 -4.196 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.455 0.066 -2.708 1.00 1.00 H new ATOM 0 HB VAL A 34 -13.248 0.649 -1.623 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -12.055 0.521 0.547 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -11.795 -0.955 -0.412 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -10.516 0.278 -0.312 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -12.347 2.722 -0.600 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.808 2.478 -1.459 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -12.296 2.813 -2.377 1.00 1.00 H new ATOM 531 N ASN A 35 -11.521 -2.187 -2.858 1.00 1.00 N ATOM 532 CA ASN A 35 -12.088 -3.524 -3.191 1.00 1.00 C ATOM 533 C ASN A 35 -13.450 -3.705 -2.517 1.00 1.00 C ATOM 534 O ASN A 35 -13.537 -4.031 -1.349 1.00 1.00 O ATOM 535 CB ASN A 35 -11.079 -4.532 -2.639 1.00 1.00 C ATOM 536 CG ASN A 35 -11.707 -5.927 -2.626 1.00 1.00 C ATOM 537 OD1 ASN A 35 -11.230 -6.814 -1.946 1.00 1.00 O ATOM 538 ND2 ASN A 35 -12.765 -6.159 -3.354 1.00 1.00 N ATOM 0 H ASN A 35 -10.637 -2.205 -2.350 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.245 -3.649 -4.262 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.177 -4.533 -3.252 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.779 -4.247 -1.631 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -13.192 -7.085 -3.352 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -13.165 -5.414 -3.925 1.00 1.00 H new ATOM 545 N ALA A 36 -14.515 -3.497 -3.242 1.00 1.00 N ATOM 546 CA ALA A 36 -15.870 -3.659 -2.639 1.00 1.00 C ATOM 547 C ALA A 36 -15.877 -4.837 -1.660 1.00 1.00 C ATOM 548 O ALA A 36 -16.669 -4.881 -0.739 1.00 1.00 O ATOM 549 CB ALA A 36 -16.799 -3.938 -3.821 1.00 1.00 C ATOM 0 H ALA A 36 -14.506 -3.222 -4.224 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.179 -2.778 -2.077 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -17.819 -4.070 -3.459 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.766 -3.099 -4.516 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.475 -4.845 -4.332 1.00 1.00 H new ATOM 555 N THR A 37 -15.001 -5.788 -1.845 1.00 1.00 N ATOM 556 CA THR A 37 -14.966 -6.951 -0.912 1.00 1.00 C ATOM 557 C THR A 37 -14.672 -6.463 0.507 1.00 1.00 C ATOM 558 O THR A 37 -15.334 -6.839 1.454 1.00 1.00 O ATOM 559 CB THR A 37 -13.834 -7.844 -1.421 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.022 -8.102 -2.805 1.00 1.00 O ATOM 561 CG2 THR A 37 -13.841 -9.163 -0.646 1.00 1.00 C ATOM 0 H THR A 37 -14.312 -5.810 -2.597 1.00 1.00 H new ATOM 0 HA THR A 37 -15.914 -7.488 -0.880 1.00 1.00 H new ATOM 0 HB THR A 37 -12.877 -7.343 -1.274 1.00 1.00 H new ATOM 0 HG1 THR A 37 -13.333 -8.724 -3.118 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.035 -9.801 -1.007 1.00 1.00 H new ATOM 0 HG22 THR A 37 -13.697 -8.962 0.416 1.00 1.00 H new ATOM 0 HG23 THR A 37 -14.796 -9.667 -0.794 1.00 1.00 H new ATOM 569 N HIS A 38 -13.693 -5.614 0.658 1.00 1.00 N ATOM 570 CA HIS A 38 -13.373 -5.088 2.014 1.00 1.00 C ATOM 571 C HIS A 38 -14.548 -4.248 2.515 1.00 1.00 C ATOM 572 O HIS A 38 -14.796 -4.143 3.699 1.00 1.00 O ATOM 573 CB HIS A 38 -12.127 -4.221 1.823 1.00 1.00 C ATOM 574 CG HIS A 38 -12.390 -2.840 2.357 1.00 1.00 C ATOM 575 ND1 HIS A 38 -12.027 -1.698 1.661 1.00 1.00 N ATOM 576 CD2 HIS A 38 -12.979 -2.400 3.516 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.397 -0.637 2.401 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.982 -1.009 3.542 1.00 1.00 N ATOM 0 H HIS A 38 -13.103 -5.263 -0.096 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.198 -5.877 2.746 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.278 -4.667 2.341 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.865 -4.170 0.766 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -11.564 -1.667 0.753 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -13.380 -3.037 4.291 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -12.240 0.390 2.108 1.00 1.00 H new ATOM 586 N ILE A 39 -15.279 -3.659 1.608 1.00 1.00 N ATOM 587 CA ILE A 39 -16.452 -2.833 2.005 1.00 1.00 C ATOM 588 C ILE A 39 -17.704 -3.709 2.062 1.00 1.00 C ATOM 589 O ILE A 39 -18.418 -3.734 3.047 1.00 1.00 O ATOM 590 CB ILE A 39 -16.581 -1.786 0.899 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.736 -0.561 1.256 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.045 -1.369 0.753 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.539 -0.477 0.307 1.00 1.00 C ATOM 0 H ILE A 39 -15.112 -3.716 0.603 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.333 -2.376 2.988 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.231 -2.210 -0.042 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.338 0.345 1.181 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.392 -0.631 2.288 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.134 -0.622 -0.036 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.648 -2.240 0.498 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.398 -0.946 1.694 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.935 0.395 0.559 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.934 -1.378 0.404 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.894 -0.388 -0.720 1.00 1.00 H new ATOM 605 N LEU A 40 -17.970 -4.437 1.011 1.00 1.00 N ATOM 606 CA LEU A 40 -19.168 -5.325 0.996 1.00 1.00 C ATOM 607 C LEU A 40 -18.797 -6.714 1.521 1.00 1.00 C ATOM 608 O LEU A 40 -19.441 -7.248 2.404 1.00 1.00 O ATOM 609 CB LEU A 40 -19.589 -5.399 -0.473 1.00 1.00 C ATOM 610 CG LEU A 40 -21.106 -5.242 -0.578 1.00 1.00 C ATOM 611 CD1 LEU A 40 -21.613 -4.390 0.587 1.00 1.00 C ATOM 612 CD2 LEU A 40 -21.456 -4.555 -1.901 1.00 1.00 C ATOM 0 H LEU A 40 -17.408 -4.455 0.160 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.972 -4.949 1.629 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.091 -4.616 -1.045 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -19.281 -6.352 -0.903 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.576 -6.225 -0.541 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -22.695 -4.278 0.512 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -21.363 -4.877 1.530 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -21.143 -3.407 0.550 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.537 -4.442 -1.977 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -20.985 -3.572 -1.936 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -21.095 -5.161 -2.732 1.00 1.00 H new ATOM 624 N LYS A 41 -17.755 -7.298 0.995 1.00 1.00 N ATOM 625 CA LYS A 41 -17.336 -8.648 1.469 1.00 1.00 C ATOM 626 C LYS A 41 -16.839 -8.558 2.911 1.00 1.00 C ATOM 627 O LYS A 41 -16.902 -9.509 3.665 1.00 1.00 O ATOM 628 CB LYS A 41 -16.199 -9.064 0.536 1.00 1.00 C ATOM 629 CG LYS A 41 -16.777 -9.771 -0.691 1.00 1.00 C ATOM 630 CD LYS A 41 -16.538 -8.911 -1.934 1.00 1.00 C ATOM 631 CE LYS A 41 -16.684 -9.774 -3.189 1.00 1.00 C ATOM 632 NZ LYS A 41 -15.685 -9.227 -4.148 1.00 1.00 N ATOM 0 H LYS A 41 -17.175 -6.898 0.257 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.155 -9.367 1.453 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -15.628 -8.188 0.228 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.509 -9.726 1.059 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.309 -10.747 -0.816 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -17.845 -9.944 -0.555 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -17.251 -8.087 -1.962 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -15.542 -8.469 -1.897 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -16.489 -10.824 -2.971 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -17.694 -9.715 -3.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -15.088 -10.000 -4.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -16.179 -8.774 -4.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -15.089 -8.524 -3.665 1.00 1.00 H new ATOM 645 N ALA A 42 -16.354 -7.412 3.301 1.00 1.00 N ATOM 646 CA ALA A 42 -15.861 -7.249 4.696 1.00 1.00 C ATOM 647 C ALA A 42 -17.037 -7.359 5.668 1.00 1.00 C ATOM 648 O ALA A 42 -16.873 -7.679 6.828 1.00 1.00 O ATOM 649 CB ALA A 42 -15.253 -5.848 4.743 1.00 1.00 C ATOM 0 H ALA A 42 -16.278 -6.582 2.714 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.134 -8.011 4.977 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.866 -5.653 5.743 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.440 -5.780 4.020 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.018 -5.111 4.499 1.00 1.00 H new ATOM 655 N ALA A 43 -18.226 -7.094 5.196 1.00 1.00 N ATOM 656 CA ALA A 43 -19.418 -7.179 6.086 1.00 1.00 C ATOM 657 C ALA A 43 -20.469 -8.114 5.482 1.00 1.00 C ATOM 658 O ALA A 43 -21.576 -8.214 5.972 1.00 1.00 O ATOM 659 CB ALA A 43 -19.955 -5.750 6.164 1.00 1.00 C ATOM 0 H ALA A 43 -18.422 -6.822 4.233 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.169 -7.577 7.070 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.837 -5.727 6.804 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.189 -5.095 6.579 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.223 -5.407 5.165 1.00 1.00 H new ATOM 665 N ASN A 44 -20.137 -8.800 4.421 1.00 1.00 N ATOM 666 CA ASN A 44 -21.129 -9.722 3.796 1.00 1.00 C ATOM 667 C ASN A 44 -20.418 -10.909 3.140 1.00 1.00 C ATOM 668 O ASN A 44 -20.990 -11.618 2.334 1.00 1.00 O ATOM 669 CB ASN A 44 -21.846 -8.878 2.742 1.00 1.00 C ATOM 670 CG ASN A 44 -20.827 -8.350 1.730 1.00 1.00 C ATOM 671 OD1 ASN A 44 -19.931 -9.063 1.324 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.927 -7.122 1.302 1.00 1.00 N ATOM 0 H ASN A 44 -19.227 -8.762 3.962 1.00 1.00 H new ATOM 0 HA ASN A 44 -21.822 -10.136 4.529 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.602 -9.477 2.234 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.365 -8.047 3.218 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.253 -6.761 0.627 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -21.679 -6.523 1.642 1.00 1.00 H new ATOM 679 N PHE A 45 -19.177 -11.135 3.475 1.00 1.00 N ATOM 680 CA PHE A 45 -18.438 -12.278 2.865 1.00 1.00 C ATOM 681 C PHE A 45 -18.716 -12.340 1.361 1.00 1.00 C ATOM 682 O PHE A 45 -19.737 -11.881 0.890 1.00 1.00 O ATOM 683 CB PHE A 45 -18.990 -13.522 3.564 1.00 1.00 C ATOM 684 CG PHE A 45 -18.529 -13.537 5.002 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.182 -13.309 5.308 1.00 1.00 C ATOM 686 CD2 PHE A 45 -19.449 -13.779 6.029 1.00 1.00 C ATOM 687 CE1 PHE A 45 -16.756 -13.323 6.641 1.00 1.00 C ATOM 688 CE2 PHE A 45 -19.023 -13.793 7.363 1.00 1.00 C ATOM 689 CZ PHE A 45 -17.675 -13.564 7.668 1.00 1.00 C ATOM 0 H PHE A 45 -18.643 -10.579 4.143 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.359 -12.187 2.986 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.079 -13.524 3.520 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -18.649 -14.422 3.052 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -16.472 -13.122 4.516 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -20.488 -13.955 5.792 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -15.717 -13.148 6.877 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -19.733 -13.980 8.155 1.00 1.00 H new ATOM 0 HZ PHE A 45 -17.345 -13.574 8.696 1.00 1.00 H new ATOM 699 N ALA A 46 -17.816 -12.902 0.601 1.00 1.00 N ATOM 700 CA ALA A 46 -18.035 -12.986 -0.871 1.00 1.00 C ATOM 701 C ALA A 46 -18.733 -14.297 -1.233 1.00 1.00 C ATOM 702 O ALA A 46 -18.105 -15.311 -1.465 1.00 1.00 O ATOM 703 CB ALA A 46 -16.636 -12.933 -1.486 1.00 1.00 C ATOM 0 H ALA A 46 -16.941 -13.306 0.935 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.671 -12.180 -1.237 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.713 -12.990 -2.572 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.150 -11.998 -1.205 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.046 -13.773 -1.120 1.00 1.00 H new ATOM 709 N LYS A 47 -20.033 -14.272 -1.291 1.00 1.00 N ATOM 710 CA LYS A 47 -20.801 -15.497 -1.648 1.00 1.00 C ATOM 711 C LYS A 47 -21.834 -15.140 -2.713 1.00 1.00 C ATOM 712 O LYS A 47 -21.786 -14.073 -3.293 1.00 1.00 O ATOM 713 CB LYS A 47 -21.486 -15.935 -0.352 1.00 1.00 C ATOM 714 CG LYS A 47 -21.331 -17.447 -0.178 1.00 1.00 C ATOM 715 CD LYS A 47 -20.236 -17.735 0.851 1.00 1.00 C ATOM 716 CE LYS A 47 -20.653 -17.173 2.212 1.00 1.00 C ATOM 717 NZ LYS A 47 -20.125 -15.781 2.229 1.00 1.00 N ATOM 0 H LYS A 47 -20.603 -13.447 -1.105 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.172 -16.292 -2.049 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -21.046 -15.414 0.498 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -22.542 -15.668 -0.378 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -22.275 -17.884 0.148 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -21.078 -17.909 -1.132 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.066 -18.809 0.926 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -19.296 -17.285 0.533 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -21.737 -17.186 2.330 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -20.236 -17.764 3.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -19.459 -15.672 3.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -19.633 -15.585 1.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -20.913 -15.112 2.344 1.00 1.00 H new ATOM 730 N ALA A 48 -22.778 -16.001 -2.976 1.00 1.00 N ATOM 731 CA ALA A 48 -23.795 -15.656 -4.006 1.00 1.00 C ATOM 732 C ALA A 48 -24.366 -14.283 -3.667 1.00 1.00 C ATOM 733 O ALA A 48 -24.816 -13.551 -4.526 1.00 1.00 O ATOM 734 CB ALA A 48 -24.869 -16.738 -3.893 1.00 1.00 C ATOM 0 H ALA A 48 -22.888 -16.912 -2.531 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.392 -15.616 -5.018 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -25.655 -16.549 -4.625 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.423 -17.714 -4.084 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.296 -16.724 -2.890 1.00 1.00 H new ATOM 740 N LYS A 49 -24.314 -13.919 -2.416 1.00 1.00 N ATOM 741 CA LYS A 49 -24.811 -12.581 -2.008 1.00 1.00 C ATOM 742 C LYS A 49 -23.884 -11.506 -2.580 1.00 1.00 C ATOM 743 O LYS A 49 -24.321 -10.571 -3.222 1.00 1.00 O ATOM 744 CB LYS A 49 -24.756 -12.584 -0.481 1.00 1.00 C ATOM 745 CG LYS A 49 -26.176 -12.506 0.083 1.00 1.00 C ATOM 746 CD LYS A 49 -26.892 -11.287 -0.501 1.00 1.00 C ATOM 747 CE LYS A 49 -28.348 -11.276 -0.031 1.00 1.00 C ATOM 748 NZ LYS A 49 -29.144 -11.622 -1.241 1.00 1.00 N ATOM 0 H LYS A 49 -23.947 -14.494 -1.658 1.00 1.00 H new ATOM 0 HA LYS A 49 -25.818 -12.374 -2.370 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.262 -13.489 -0.126 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.166 -11.739 -0.126 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.726 -13.415 -0.161 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.143 -12.435 1.170 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.390 -10.372 -0.186 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -26.851 -11.315 -1.590 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.510 -11.999 0.769 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -28.629 -10.298 0.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -30.155 -11.635 -0.999 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -28.974 -10.913 -1.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -28.859 -12.560 -1.587 1.00 1.00 H new ATOM 761 N ARG A 50 -22.600 -11.639 -2.357 1.00 1.00 N ATOM 762 CA ARG A 50 -21.644 -10.629 -2.891 1.00 1.00 C ATOM 763 C ARG A 50 -21.716 -10.600 -4.418 1.00 1.00 C ATOM 764 O ARG A 50 -21.440 -9.595 -5.042 1.00 1.00 O ATOM 765 CB ARG A 50 -20.267 -11.101 -2.425 1.00 1.00 C ATOM 766 CG ARG A 50 -19.955 -10.492 -1.056 1.00 1.00 C ATOM 767 CD ARG A 50 -21.243 -10.398 -0.234 1.00 1.00 C ATOM 768 NE ARG A 50 -21.442 -11.764 0.324 1.00 1.00 N ATOM 769 CZ ARG A 50 -22.499 -12.027 1.045 1.00 1.00 C ATOM 770 NH1 ARG A 50 -23.383 -11.094 1.270 1.00 1.00 N ATOM 771 NH2 ARG A 50 -22.671 -13.223 1.538 1.00 1.00 N ATOM 0 H ARG A 50 -22.176 -12.402 -1.829 1.00 1.00 H new ATOM 0 HA ARG A 50 -21.865 -9.620 -2.542 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.245 -12.189 -2.364 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -19.506 -10.807 -3.148 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.221 -11.104 -0.533 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -19.516 -9.502 -1.178 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -21.152 -9.656 0.560 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -22.087 -10.098 -0.855 1.00 1.00 H new ATOM 0 HE ARG A 50 -20.753 -12.494 0.143 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -23.248 -10.160 0.883 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -24.209 -11.299 1.833 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -21.980 -13.952 1.360 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -23.496 -13.429 2.101 1.00 1.00 H new ATOM 784 N THR A 51 -22.095 -11.693 -5.023 1.00 1.00 N ATOM 785 CA THR A 51 -22.194 -11.721 -6.508 1.00 1.00 C ATOM 786 C THR A 51 -23.328 -10.802 -6.961 1.00 1.00 C ATOM 787 O THR A 51 -23.245 -10.151 -7.982 1.00 1.00 O ATOM 788 CB THR A 51 -22.506 -13.177 -6.861 1.00 1.00 C ATOM 789 OG1 THR A 51 -21.407 -13.996 -6.488 1.00 1.00 O ATOM 790 CG2 THR A 51 -22.747 -13.298 -8.366 1.00 1.00 C ATOM 0 H THR A 51 -22.340 -12.565 -4.554 1.00 1.00 H new ATOM 0 HA THR A 51 -21.282 -11.377 -6.996 1.00 1.00 H new ATOM 0 HB THR A 51 -23.399 -13.499 -6.326 1.00 1.00 H new ATOM 0 HG1 THR A 51 -21.406 -14.119 -5.516 1.00 1.00 H new ATOM 0 HG21 THR A 51 -22.969 -14.335 -8.617 1.00 1.00 H new ATOM 0 HG22 THR A 51 -23.589 -12.667 -8.652 1.00 1.00 H new ATOM 0 HG23 THR A 51 -21.855 -12.978 -8.904 1.00 1.00 H new ATOM 798 N ARG A 52 -24.382 -10.734 -6.196 1.00 1.00 N ATOM 799 CA ARG A 52 -25.518 -9.845 -6.569 1.00 1.00 C ATOM 800 C ARG A 52 -25.330 -8.479 -5.908 1.00 1.00 C ATOM 801 O ARG A 52 -25.126 -7.480 -6.568 1.00 1.00 O ATOM 802 CB ARG A 52 -26.765 -10.541 -6.025 1.00 1.00 C ATOM 803 CG ARG A 52 -27.974 -10.174 -6.888 1.00 1.00 C ATOM 804 CD ARG A 52 -27.550 -10.102 -8.357 1.00 1.00 C ATOM 805 NE ARG A 52 -26.779 -11.352 -8.598 1.00 1.00 N ATOM 806 CZ ARG A 52 -27.182 -12.203 -9.502 1.00 1.00 C ATOM 807 NH1 ARG A 52 -28.262 -11.958 -10.193 1.00 1.00 N ATOM 808 NH2 ARG A 52 -26.506 -13.298 -9.716 1.00 1.00 N ATOM 0 H ARG A 52 -24.506 -11.256 -5.328 1.00 1.00 H new ATOM 0 HA ARG A 52 -25.590 -9.681 -7.644 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.620 -11.621 -6.025 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -26.939 -10.242 -4.991 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -28.763 -10.916 -6.762 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.384 -9.216 -6.569 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -28.417 -10.040 -9.015 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -26.940 -9.219 -8.549 1.00 1.00 H new ATOM 0 HE ARG A 52 -25.936 -11.544 -8.057 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -28.791 -11.102 -10.026 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -28.577 -12.623 -10.899 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -25.662 -13.490 -9.177 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.822 -13.962 -10.423 1.00 1.00 H new ATOM 821 N ILE A 53 -25.394 -8.433 -4.606 1.00 1.00 N ATOM 822 CA ILE A 53 -25.217 -7.135 -3.897 1.00 1.00 C ATOM 823 C ILE A 53 -24.001 -6.394 -4.463 1.00 1.00 C ATOM 824 O ILE A 53 -24.069 -5.222 -4.776 1.00 1.00 O ATOM 825 CB ILE A 53 -24.984 -7.511 -2.434 1.00 1.00 C ATOM 826 CG1 ILE A 53 -26.162 -8.346 -1.929 1.00 1.00 C ATOM 827 CG2 ILE A 53 -24.864 -6.240 -1.592 1.00 1.00 C ATOM 828 CD1 ILE A 53 -26.938 -7.551 -0.878 1.00 1.00 C ATOM 0 H ILE A 53 -25.561 -9.238 -4.003 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.077 -6.476 -4.013 1.00 1.00 H new ATOM 0 HB ILE A 53 -24.064 -8.090 -2.351 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -26.818 -8.608 -2.759 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -25.801 -9.281 -1.500 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -24.698 -6.509 -0.549 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -24.025 -5.644 -1.951 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -25.783 -5.660 -1.675 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -27.777 -8.146 -0.518 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -26.279 -7.311 -0.043 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -27.311 -6.628 -1.322 1.00 1.00 H new ATOM 840 N LEU A 54 -22.894 -7.071 -4.612 1.00 1.00 N ATOM 841 CA LEU A 54 -21.687 -6.400 -5.178 1.00 1.00 C ATOM 842 C LEU A 54 -21.935 -6.060 -6.651 1.00 1.00 C ATOM 843 O LEU A 54 -21.863 -4.920 -7.061 1.00 1.00 O ATOM 844 CB LEU A 54 -20.561 -7.425 -5.043 1.00 1.00 C ATOM 845 CG LEU A 54 -19.211 -6.706 -5.052 1.00 1.00 C ATOM 846 CD1 LEU A 54 -19.193 -5.638 -3.958 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.094 -7.719 -4.793 1.00 1.00 C ATOM 0 H LEU A 54 -22.773 -8.054 -4.368 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.444 -5.469 -4.666 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.678 -7.989 -4.118 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.608 -8.142 -5.862 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.058 -6.234 -6.022 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.231 -5.126 -3.965 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.989 -4.916 -4.141 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -19.346 -6.109 -2.987 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.131 -7.208 -4.799 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.248 -8.191 -3.823 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.106 -8.481 -5.573 1.00 1.00 H new ATOM 859 N GLU A 55 -22.224 -7.055 -7.444 1.00 1.00 N ATOM 860 CA GLU A 55 -22.477 -6.813 -8.891 1.00 1.00 C ATOM 861 C GLU A 55 -23.548 -5.737 -9.066 1.00 1.00 C ATOM 862 O GLU A 55 -23.393 -4.814 -9.838 1.00 1.00 O ATOM 863 CB GLU A 55 -22.974 -8.150 -9.433 1.00 1.00 C ATOM 864 CG GLU A 55 -21.834 -8.861 -10.165 1.00 1.00 C ATOM 865 CD GLU A 55 -22.311 -9.297 -11.551 1.00 1.00 C ATOM 866 OE1 GLU A 55 -23.428 -9.779 -11.648 1.00 1.00 O ATOM 867 OE2 GLU A 55 -21.552 -9.143 -12.493 1.00 1.00 O ATOM 0 H GLU A 55 -22.296 -8.029 -7.150 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.586 -6.465 -9.413 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.339 -8.772 -8.616 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.812 -7.990 -10.111 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -20.976 -8.195 -10.257 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -21.505 -9.728 -9.592 1.00 1.00 H new ATOM 874 N LYS A 56 -24.632 -5.844 -8.348 1.00 1.00 N ATOM 875 CA LYS A 56 -25.708 -4.819 -8.472 1.00 1.00 C ATOM 876 C LYS A 56 -25.274 -3.531 -7.773 1.00 1.00 C ATOM 877 O LYS A 56 -25.297 -2.461 -8.349 1.00 1.00 O ATOM 878 CB LYS A 56 -26.922 -5.429 -7.771 1.00 1.00 C ATOM 879 CG LYS A 56 -27.065 -4.818 -6.375 1.00 1.00 C ATOM 880 CD LYS A 56 -28.314 -5.382 -5.697 1.00 1.00 C ATOM 881 CE LYS A 56 -29.538 -4.564 -6.117 1.00 1.00 C ATOM 882 NZ LYS A 56 -29.869 -3.730 -4.929 1.00 1.00 N ATOM 0 H LYS A 56 -24.820 -6.594 -7.683 1.00 1.00 H new ATOM 0 HA LYS A 56 -25.928 -4.566 -9.509 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.824 -5.244 -8.355 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.807 -6.510 -7.696 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.182 -5.041 -5.777 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -27.136 -3.733 -6.447 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.450 -6.427 -5.974 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -28.198 -5.352 -4.614 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -29.319 -3.944 -6.986 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -30.371 -5.212 -6.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -30.699 -3.140 -5.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -30.079 -4.348 -4.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -29.060 -3.119 -4.697 1.00 1.00 H new ATOM 895 N GLU A 57 -24.871 -3.626 -6.537 1.00 1.00 N ATOM 896 CA GLU A 57 -24.427 -2.407 -5.807 1.00 1.00 C ATOM 897 C GLU A 57 -23.300 -1.722 -6.582 1.00 1.00 C ATOM 898 O GLU A 57 -23.314 -0.526 -6.792 1.00 1.00 O ATOM 899 CB GLU A 57 -23.922 -2.913 -4.456 1.00 1.00 C ATOM 900 CG GLU A 57 -24.205 -1.864 -3.378 1.00 1.00 C ATOM 901 CD GLU A 57 -25.569 -1.222 -3.637 1.00 1.00 C ATOM 902 OE1 GLU A 57 -25.701 -0.546 -4.645 1.00 1.00 O ATOM 903 OE2 GLU A 57 -26.458 -1.415 -2.824 1.00 1.00 O ATOM 0 H GLU A 57 -24.830 -4.493 -6.002 1.00 1.00 H new ATOM 0 HA GLU A 57 -25.227 -1.676 -5.689 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -24.413 -3.853 -4.201 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.852 -3.116 -4.509 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -24.191 -2.328 -2.392 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -23.426 -1.102 -3.383 1.00 1.00 H new ATOM 910 N VAL A 58 -22.323 -2.474 -7.013 1.00 1.00 N ATOM 911 CA VAL A 58 -21.197 -1.867 -7.776 1.00 1.00 C ATOM 912 C VAL A 58 -21.544 -1.791 -9.266 1.00 1.00 C ATOM 913 O VAL A 58 -21.382 -0.765 -9.897 1.00 1.00 O ATOM 914 CB VAL A 58 -20.014 -2.808 -7.550 1.00 1.00 C ATOM 915 CG1 VAL A 58 -19.685 -3.539 -8.853 1.00 1.00 C ATOM 916 CG2 VAL A 58 -18.796 -1.996 -7.103 1.00 1.00 C ATOM 0 H VAL A 58 -22.257 -3.482 -6.869 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.979 -0.850 -7.449 1.00 1.00 H new ATOM 0 HB VAL A 58 -20.272 -3.535 -6.780 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -18.841 -4.210 -8.691 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -20.551 -4.117 -9.175 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -19.428 -2.812 -9.623 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -17.951 -2.666 -6.941 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -18.540 -1.269 -7.874 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -19.028 -1.474 -6.175 1.00 1.00 H new ATOM 926 N LEU A 59 -22.020 -2.866 -9.838 1.00 1.00 N ATOM 927 CA LEU A 59 -22.370 -2.834 -11.287 1.00 1.00 C ATOM 928 C LEU A 59 -22.957 -1.469 -11.643 1.00 1.00 C ATOM 929 O LEU A 59 -22.583 -0.855 -12.623 1.00 1.00 O ATOM 930 CB LEU A 59 -23.417 -3.929 -11.481 1.00 1.00 C ATOM 931 CG LEU A 59 -24.061 -3.767 -12.857 1.00 1.00 C ATOM 932 CD1 LEU A 59 -24.998 -2.558 -12.842 1.00 1.00 C ATOM 933 CD2 LEU A 59 -22.966 -3.546 -13.904 1.00 1.00 C ATOM 0 H LEU A 59 -22.180 -3.757 -9.368 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.500 -2.995 -11.924 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -22.953 -4.912 -11.396 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.176 -3.866 -10.701 1.00 1.00 H new ATOM 0 HG LEU A 59 -24.629 -4.665 -13.102 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.458 -2.442 -13.823 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -25.775 -2.709 -12.093 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.430 -1.660 -12.599 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.421 -3.430 -14.888 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.402 -2.647 -13.657 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.294 -4.404 -13.914 1.00 1.00 H new ATOM 945 N LYS A 60 -23.866 -0.984 -10.844 1.00 1.00 N ATOM 946 CA LYS A 60 -24.466 0.351 -11.125 1.00 1.00 C ATOM 947 C LYS A 60 -23.440 1.438 -10.805 1.00 1.00 C ATOM 948 O LYS A 60 -23.623 2.599 -11.116 1.00 1.00 O ATOM 949 CB LYS A 60 -25.671 0.452 -10.192 1.00 1.00 C ATOM 950 CG LYS A 60 -26.297 -0.933 -10.013 1.00 1.00 C ATOM 951 CD LYS A 60 -27.488 -0.836 -9.058 1.00 1.00 C ATOM 952 CE LYS A 60 -28.727 -0.378 -9.830 1.00 1.00 C ATOM 953 NZ LYS A 60 -28.710 -1.172 -11.089 1.00 1.00 N ATOM 0 H LYS A 60 -24.219 -1.453 -10.010 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.760 0.473 -12.167 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.363 0.851 -9.226 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -26.406 1.144 -10.603 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -26.622 -1.324 -10.977 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -25.557 -1.630 -9.619 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -27.674 -1.804 -8.593 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -27.267 -0.133 -8.255 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -29.638 -0.561 -9.260 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -28.690 0.692 -10.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -29.681 -1.280 -11.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -28.134 -0.681 -11.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -28.303 -2.111 -10.902 1.00 1.00 H new ATOM 966 N GLU A 61 -22.356 1.057 -10.189 1.00 1.00 N ATOM 967 CA GLU A 61 -21.299 2.047 -9.844 1.00 1.00 C ATOM 968 C GLU A 61 -20.045 1.786 -10.682 1.00 1.00 C ATOM 969 O GLU A 61 -20.081 1.074 -11.667 1.00 1.00 O ATOM 970 CB GLU A 61 -21.009 1.820 -8.361 1.00 1.00 C ATOM 971 CG GLU A 61 -21.710 2.898 -7.531 1.00 1.00 C ATOM 972 CD GLU A 61 -22.218 4.006 -8.456 1.00 1.00 C ATOM 973 OE1 GLU A 61 -23.012 3.703 -9.331 1.00 1.00 O ATOM 974 OE2 GLU A 61 -21.803 5.139 -8.274 1.00 1.00 O ATOM 0 H GLU A 61 -22.156 0.097 -9.908 1.00 1.00 H new ATOM 0 HA GLU A 61 -21.611 3.072 -10.043 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -21.355 0.832 -8.059 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.934 1.850 -8.181 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -22.542 2.462 -6.978 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -21.020 3.312 -6.796 1.00 1.00 H new ATOM 981 N THR A 62 -18.937 2.356 -10.301 1.00 1.00 N ATOM 982 CA THR A 62 -17.680 2.144 -11.075 1.00 1.00 C ATOM 983 C THR A 62 -16.907 0.944 -10.519 1.00 1.00 C ATOM 984 O THR A 62 -15.700 0.980 -10.386 1.00 1.00 O ATOM 985 CB THR A 62 -16.880 3.433 -10.882 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.771 4.540 -10.848 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.896 3.603 -12.040 1.00 1.00 C ATOM 0 H THR A 62 -18.846 2.961 -9.485 1.00 1.00 H new ATOM 0 HA THR A 62 -17.873 1.934 -12.127 1.00 1.00 H new ATOM 0 HB THR A 62 -16.327 3.382 -9.944 1.00 1.00 H new ATOM 0 HG1 THR A 62 -17.260 5.367 -10.723 1.00 1.00 H new ATOM 0 HG21 THR A 62 -15.326 4.522 -11.902 1.00 1.00 H new ATOM 0 HG22 THR A 62 -15.214 2.753 -12.065 1.00 1.00 H new ATOM 0 HG23 THR A 62 -16.446 3.655 -12.980 1.00 1.00 H new ATOM 995 N HIS A 63 -17.591 -0.120 -10.195 1.00 1.00 N ATOM 996 CA HIS A 63 -16.892 -1.318 -9.651 1.00 1.00 C ATOM 997 C HIS A 63 -15.933 -1.894 -10.697 1.00 1.00 C ATOM 998 O HIS A 63 -16.296 -2.097 -11.840 1.00 1.00 O ATOM 999 CB HIS A 63 -18.005 -2.319 -9.339 1.00 1.00 C ATOM 1000 CG HIS A 63 -17.962 -3.442 -10.339 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -19.105 -3.926 -10.958 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -16.922 -4.187 -10.837 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -18.729 -4.918 -11.785 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -17.408 -5.118 -11.750 1.00 1.00 N ATOM 0 H HIS A 63 -18.603 -0.211 -10.284 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.296 -1.081 -8.770 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -17.884 -2.712 -8.329 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -18.975 -1.823 -9.374 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -15.884 -4.069 -10.562 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -19.411 -5.484 -12.402 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -16.871 -5.805 -12.279 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.711 -2.155 -10.319 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.733 -2.713 -11.297 1.00 1.00 C ATOM 1014 C GLU A 64 -13.306 -4.124 -10.883 1.00 1.00 C ATOM 1015 O GLU A 64 -12.875 -4.349 -9.769 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.538 -1.760 -11.247 1.00 1.00 C ATOM 1017 CG GLU A 64 -12.914 -0.432 -11.907 1.00 1.00 C ATOM 1018 CD GLU A 64 -11.954 0.661 -11.436 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -11.906 0.906 -10.242 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -11.284 1.237 -12.278 1.00 1.00 O ATOM 0 H GLU A 64 -14.348 -2.006 -9.377 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.156 -2.792 -12.299 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.237 -1.592 -10.213 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.684 -2.204 -11.759 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -12.869 -0.527 -12.992 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -13.940 -0.165 -11.652 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.420 -5.073 -11.770 1.00 1.00 N ATOM 1028 CA LYS A 65 -13.016 -6.468 -11.427 1.00 1.00 C ATOM 1029 C LYS A 65 -11.536 -6.681 -11.755 1.00 1.00 C ATOM 1030 O LYS A 65 -11.147 -6.736 -12.906 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.895 -7.362 -12.303 1.00 1.00 C ATOM 1032 CG LYS A 65 -13.378 -7.333 -13.742 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.379 -6.591 -14.629 1.00 1.00 C ATOM 1034 CE LYS A 65 -13.625 -5.804 -15.703 1.00 1.00 C ATOM 1035 NZ LYS A 65 -14.647 -5.494 -16.741 1.00 1.00 N ATOM 0 H LYS A 65 -13.775 -4.944 -12.718 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.143 -6.688 -10.367 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.886 -8.383 -11.923 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -14.929 -7.018 -12.270 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -12.407 -6.840 -13.781 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -13.235 -8.349 -14.109 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -15.063 -7.300 -15.096 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -14.984 -5.915 -14.025 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -13.190 -4.893 -15.292 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.805 -6.389 -16.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -14.205 -4.954 -17.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -15.039 -6.381 -17.118 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -15.412 -4.930 -16.318 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.707 -6.796 -10.753 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.252 -7.002 -11.009 1.00 1.00 C ATOM 1050 C VAL A 66 -8.929 -8.496 -11.082 1.00 1.00 C ATOM 1051 O VAL A 66 -9.069 -9.221 -10.118 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.549 -6.361 -9.813 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -7.165 -5.865 -10.238 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.378 -5.180 -9.307 1.00 1.00 C ATOM 0 H VAL A 66 -10.974 -6.756 -9.769 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.934 -6.565 -11.956 1.00 1.00 H new ATOM 0 HB VAL A 66 -8.442 -7.099 -9.018 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -6.664 -5.408 -9.384 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -6.572 -6.706 -10.599 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -7.271 -5.128 -11.034 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.877 -4.723 -8.454 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.485 -4.443 -10.103 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -10.364 -5.531 -9.003 1.00 1.00 H new ATOM 1064 N GLN A 67 -8.495 -8.962 -12.222 1.00 1.00 N ATOM 1065 CA GLN A 67 -8.160 -10.409 -12.359 1.00 1.00 C ATOM 1066 C GLN A 67 -6.933 -10.585 -13.257 1.00 1.00 C ATOM 1067 O GLN A 67 -6.508 -9.667 -13.931 1.00 1.00 O ATOM 1068 CB GLN A 67 -9.393 -11.042 -13.006 1.00 1.00 C ATOM 1069 CG GLN A 67 -10.615 -10.157 -12.754 1.00 1.00 C ATOM 1070 CD GLN A 67 -11.580 -10.875 -11.808 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -11.383 -12.030 -11.482 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -12.622 -10.238 -11.351 1.00 1.00 N ATOM 0 H GLN A 67 -8.358 -8.403 -13.064 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.921 -10.870 -11.401 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -9.233 -11.162 -14.077 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -9.561 -12.038 -12.595 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -10.305 -9.206 -12.321 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -11.114 -9.931 -13.696 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -12.788 -9.269 -11.624 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -13.271 -10.708 -10.720 1.00 1.00 H new ATOM 1081 N GLY A 68 -6.361 -11.758 -13.274 1.00 1.00 N ATOM 1082 CA GLY A 68 -5.164 -11.991 -14.132 1.00 1.00 C ATOM 1083 C GLY A 68 -3.891 -11.750 -13.318 1.00 1.00 C ATOM 1084 O GLY A 68 -2.793 -11.819 -13.832 1.00 1.00 O ATOM 0 H GLY A 68 -6.670 -12.565 -12.732 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -5.173 -13.011 -14.517 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -5.187 -11.325 -14.994 1.00 1.00 H new ATOM 1088 N GLY A 69 -4.027 -11.469 -12.050 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.821 -11.227 -11.209 1.00 1.00 C ATOM 1090 C GLY A 69 -2.630 -9.722 -11.003 1.00 1.00 C ATOM 1091 O GLY A 69 -1.856 -9.294 -10.170 1.00 1.00 O ATOM 0 H GLY A 69 -4.920 -11.397 -11.562 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.932 -11.725 -10.246 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.940 -11.653 -11.689 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.328 -8.917 -11.756 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.186 -7.440 -11.599 1.00 1.00 C ATOM 1097 C PHE A 70 -4.354 -6.884 -10.782 1.00 1.00 C ATOM 1098 O PHE A 70 -5.427 -6.642 -11.297 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.214 -6.886 -13.024 1.00 1.00 C ATOM 1100 CG PHE A 70 -1.846 -7.029 -13.646 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -0.771 -6.282 -13.151 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -1.653 -7.910 -14.718 1.00 1.00 C ATOM 1103 CE1 PHE A 70 0.498 -6.416 -13.727 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -0.384 -8.042 -15.294 1.00 1.00 C ATOM 1105 CZ PHE A 70 0.692 -7.295 -14.799 1.00 1.00 C ATOM 0 H PHE A 70 -3.990 -9.216 -12.472 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.271 -7.164 -11.074 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -3.954 -7.421 -13.619 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.512 -5.838 -13.012 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.920 -5.602 -12.325 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -2.482 -8.487 -15.100 1.00 1.00 H new ATOM 0 HE1 PHE A 70 1.328 -5.841 -13.344 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -0.235 -8.721 -16.121 1.00 1.00 H new ATOM 0 HZ PHE A 70 1.671 -7.397 -15.244 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.156 -6.682 -9.507 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.258 -6.147 -8.658 1.00 1.00 C ATOM 1117 C GLY A 71 -6.195 -7.293 -8.272 1.00 1.00 C ATOM 1118 O GLY A 71 -7.351 -7.086 -7.951 1.00 1.00 O ATOM 0 H GLY A 71 -3.280 -6.864 -9.018 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -4.849 -5.678 -7.763 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -5.809 -5.377 -9.198 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.701 -8.503 -8.292 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.565 -9.660 -7.931 1.00 1.00 C ATOM 1124 C LYS A 72 -6.825 -9.647 -6.430 1.00 1.00 C ATOM 1125 O LYS A 72 -7.592 -10.435 -5.911 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.761 -10.898 -8.328 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.518 -11.770 -7.094 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.941 -10.912 -5.966 1.00 1.00 C ATOM 1129 CE LYS A 72 -4.088 -9.789 -6.562 1.00 1.00 C ATOM 1130 NZ LYS A 72 -3.097 -9.455 -5.503 1.00 1.00 N ATOM 0 H LYS A 72 -4.740 -8.737 -8.542 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.533 -9.635 -8.431 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.300 -11.466 -9.087 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.809 -10.600 -8.768 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.452 -12.232 -6.773 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.830 -12.579 -7.338 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.748 -10.491 -5.366 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -4.337 -11.527 -5.300 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.593 -10.113 -7.478 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -4.699 -8.923 -6.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.761 -8.480 -5.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.545 -9.541 -4.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.292 -10.110 -5.562 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.211 -8.735 -5.733 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.443 -8.641 -4.270 1.00 1.00 C ATOM 1145 C TYR A 73 -7.699 -7.804 -4.025 1.00 1.00 C ATOM 1146 O TYR A 73 -8.407 -7.993 -3.056 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.205 -7.941 -3.709 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.496 -8.866 -2.748 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -5.237 -9.634 -1.841 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -3.100 -8.956 -2.765 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -4.580 -10.492 -0.951 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -2.444 -9.814 -1.874 1.00 1.00 C ATOM 1153 CZ TYR A 73 -3.183 -10.582 -0.967 1.00 1.00 C ATOM 1154 OH TYR A 73 -2.536 -11.427 -0.089 1.00 1.00 O ATOM 0 H TYR A 73 -5.558 -8.051 -6.115 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.592 -9.612 -3.797 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.534 -7.659 -4.521 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.493 -7.021 -3.200 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -6.315 -9.564 -1.828 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.529 -8.364 -3.465 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -5.151 -11.085 -0.252 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.366 -9.883 -1.887 1.00 1.00 H new ATOM 0 HH TYR A 73 -1.568 -11.370 -0.233 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.985 -6.883 -4.911 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.202 -6.040 -4.739 1.00 1.00 C ATOM 1166 C GLN A 74 -10.373 -6.643 -5.519 1.00 1.00 C ATOM 1167 O GLN A 74 -11.473 -6.759 -5.018 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.823 -4.674 -5.311 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.546 -4.173 -4.632 1.00 1.00 C ATOM 1170 CD GLN A 74 -6.651 -5.364 -4.288 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -6.944 -6.118 -3.381 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -5.563 -5.568 -4.979 1.00 1.00 N ATOM 0 H GLN A 74 -7.429 -6.681 -5.742 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.514 -5.971 -3.697 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -8.670 -4.748 -6.388 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -9.634 -3.964 -5.153 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.017 -3.485 -5.291 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -7.796 -3.619 -3.727 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.316 -4.936 -5.740 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -4.959 -6.360 -4.758 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.142 -7.030 -6.746 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.242 -7.625 -7.556 1.00 1.00 C ATOM 1183 C GLY A 75 -12.223 -6.525 -7.956 1.00 1.00 C ATOM 1184 O GLY A 75 -12.094 -5.910 -8.997 1.00 1.00 O ATOM 0 H GLY A 75 -9.242 -6.960 -7.220 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.835 -8.107 -8.445 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.756 -8.396 -6.982 1.00 1.00 H new ATOM 1188 N THR A 76 -13.201 -6.269 -7.133 1.00 1.00 N ATOM 1189 CA THR A 76 -14.191 -5.204 -7.457 1.00 1.00 C ATOM 1190 C THR A 76 -13.951 -3.985 -6.563 1.00 1.00 C ATOM 1191 O THR A 76 -14.686 -3.734 -5.629 1.00 1.00 O ATOM 1192 CB THR A 76 -15.557 -5.827 -7.164 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.710 -7.010 -7.936 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.661 -4.832 -7.526 1.00 1.00 C ATOM 0 H THR A 76 -13.358 -6.752 -6.248 1.00 1.00 H new ATOM 0 HA THR A 76 -14.116 -4.865 -8.490 1.00 1.00 H new ATOM 0 HB THR A 76 -15.626 -6.073 -6.104 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.584 -7.412 -7.749 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.634 -5.276 -7.317 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.542 -3.925 -6.934 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.595 -4.585 -8.586 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.925 -3.229 -6.841 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.636 -2.029 -6.003 1.00 1.00 C ATOM 1204 C TRP A 77 -13.619 -0.903 -6.331 1.00 1.00 C ATOM 1205 O TRP A 77 -14.267 -0.908 -7.358 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.207 -1.613 -6.356 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.866 -2.070 -7.739 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.763 -2.355 -8.710 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.549 -2.293 -8.322 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.082 -2.744 -9.848 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.714 -2.720 -9.660 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.239 -2.169 -7.823 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.621 -3.014 -10.475 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.136 -2.464 -8.640 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.327 -2.885 -9.964 1.00 1.00 C ATOM 0 H TRP A 77 -12.275 -3.389 -7.610 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.740 -2.244 -4.939 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.108 -0.530 -6.288 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.507 -2.043 -5.639 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.837 -2.289 -8.612 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.535 -3.016 -10.721 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.081 -1.845 -6.805 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -8.774 -3.339 -11.494 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.135 -2.366 -8.247 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.475 -3.109 -10.588 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.721 0.066 -5.466 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.648 1.205 -5.720 1.00 1.00 C ATOM 1228 C VAL A 78 -14.009 2.508 -5.237 1.00 1.00 C ATOM 1229 O VAL A 78 -13.082 2.488 -4.451 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.903 0.888 -4.906 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.064 0.585 -5.854 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.639 -0.332 -4.020 1.00 1.00 C ATOM 0 H VAL A 78 -13.201 0.119 -4.590 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.876 1.329 -6.779 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.158 1.745 -4.282 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.958 0.359 -5.273 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.252 1.452 -6.488 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.810 -0.272 -6.478 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.533 -0.560 -3.439 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.385 -1.188 -4.645 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.811 -0.118 -3.344 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.527 3.603 -5.719 1.00 1.00 N ATOM 1243 CA PRO A 79 -13.996 4.927 -5.318 1.00 1.00 C ATOM 1244 C PRO A 79 -14.010 5.051 -3.792 1.00 1.00 C ATOM 1245 O PRO A 79 -15.055 5.068 -3.172 1.00 1.00 O ATOM 1246 CB PRO A 79 -14.963 5.923 -5.955 1.00 1.00 C ATOM 1247 CG PRO A 79 -15.661 5.166 -7.043 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.640 3.709 -6.665 1.00 1.00 C ATOM 0 HA PRO A 79 -12.967 5.092 -5.636 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.675 6.302 -5.222 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.430 6.785 -6.357 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -16.686 5.518 -7.158 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.162 5.321 -7.999 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.581 3.401 -6.210 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.485 3.073 -7.536 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.860 5.131 -3.178 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.815 5.248 -1.692 1.00 1.00 C ATOM 1258 C LEU A 80 -13.756 6.356 -1.214 1.00 1.00 C ATOM 1259 O LEU A 80 -14.315 6.283 -0.136 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.363 5.603 -1.368 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.312 6.397 -0.062 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -11.857 7.806 -0.299 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -12.163 5.693 0.996 1.00 1.00 C ATOM 0 H LEU A 80 -11.951 5.120 -3.641 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.133 4.330 -1.198 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.767 4.695 -1.278 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.931 6.189 -2.179 1.00 1.00 H new ATOM 0 HG LEU A 80 -10.280 6.460 0.284 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.821 8.372 0.632 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -11.251 8.309 -1.053 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.889 7.744 -0.645 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -12.127 6.258 1.927 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.195 5.629 0.650 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.775 4.689 1.166 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.945 7.374 -2.010 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.859 8.480 -1.602 1.00 1.00 C ATOM 1277 C ASN A 81 -16.266 7.929 -1.370 1.00 1.00 C ATOM 1278 O ASN A 81 -17.053 8.487 -0.633 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.851 9.458 -2.777 1.00 1.00 C ATOM 1280 CG ASN A 81 -15.024 8.685 -4.087 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -14.435 7.639 -4.270 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -15.815 9.160 -5.010 1.00 1.00 N ATOM 0 H ASN A 81 -13.507 7.488 -2.924 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.544 8.961 -0.676 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -15.654 10.186 -2.663 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -13.915 10.016 -2.793 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -15.939 8.653 -5.886 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -16.309 10.039 -4.855 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.577 6.824 -1.987 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.923 6.215 -1.802 1.00 1.00 C ATOM 1291 C ILE A 82 -17.771 4.847 -1.138 1.00 1.00 C ATOM 1292 O ILE A 82 -18.631 4.398 -0.406 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.494 6.071 -3.212 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -18.712 4.588 -3.524 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -17.514 6.664 -4.225 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -20.027 4.122 -2.896 1.00 1.00 C ATOM 0 H ILE A 82 -15.954 6.314 -2.614 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.575 6.816 -1.168 1.00 1.00 H new ATOM 0 HB ILE A 82 -19.444 6.601 -3.274 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -18.737 4.432 -4.603 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -17.882 3.998 -3.135 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -17.923 6.561 -5.230 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -17.357 7.720 -4.004 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -16.563 6.135 -4.164 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -20.182 3.066 -3.118 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -19.985 4.263 -1.816 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.852 4.704 -3.306 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.673 4.187 -1.384 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.450 2.852 -0.766 1.00 1.00 C ATOM 1310 C ALA A 83 -16.358 2.989 0.755 1.00 1.00 C ATOM 1311 O ALA A 83 -17.114 2.383 1.488 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.122 2.362 -1.343 1.00 1.00 C ATOM 0 H ALA A 83 -15.920 4.516 -1.988 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.263 2.157 -0.976 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -14.888 1.379 -0.933 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.200 2.294 -2.428 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.330 3.063 -1.080 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.436 3.779 1.239 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.303 3.946 2.714 1.00 1.00 C ATOM 1320 C LYS A 84 -16.582 4.550 3.299 1.00 1.00 C ATOM 1321 O LYS A 84 -16.966 4.256 4.413 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.125 4.904 2.898 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.565 6.326 2.547 1.00 1.00 C ATOM 1324 CD LYS A 84 -15.092 7.022 3.805 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.960 7.815 4.462 1.00 1.00 C ATOM 1326 NZ LYS A 84 -14.636 8.945 5.157 1.00 1.00 N ATOM 0 H LYS A 84 -14.772 4.313 0.678 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.141 2.996 3.223 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.769 4.866 3.927 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.294 4.602 2.261 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -13.726 6.886 2.133 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -15.340 6.300 1.781 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -15.915 7.688 3.547 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -15.486 6.284 4.504 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -13.401 7.197 5.165 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -13.249 8.177 3.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -13.961 9.415 5.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -14.981 9.629 4.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -15.439 8.582 5.710 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.248 5.391 2.557 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.502 6.006 3.078 1.00 1.00 C ATOM 1341 C GLN A 85 -19.612 4.957 3.139 1.00 1.00 C ATOM 1342 O GLN A 85 -20.547 5.069 3.905 1.00 1.00 O ATOM 1343 CB GLN A 85 -18.854 7.108 2.079 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.245 7.660 2.394 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.827 8.321 1.143 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -21.974 8.104 0.804 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.081 9.125 0.438 1.00 1.00 N ATOM 0 H GLN A 85 -16.980 5.678 1.616 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.381 6.402 4.086 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.115 7.907 2.128 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.830 6.713 1.063 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -20.899 6.856 2.731 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.185 8.384 3.206 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.118 9.308 0.722 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.460 9.571 -0.397 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.505 3.929 2.345 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.542 2.862 2.367 1.00 1.00 C ATOM 1358 C LEU A 86 -20.233 1.875 3.492 1.00 1.00 C ATOM 1359 O LEU A 86 -21.092 1.512 4.271 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.442 2.180 1.007 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.840 1.780 0.531 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.560 3.007 -0.030 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -21.719 0.716 -0.562 1.00 1.00 C ATOM 0 H LEU A 86 -18.744 3.782 1.682 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.544 3.253 2.544 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -19.979 2.852 0.285 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.804 1.299 1.077 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.409 1.379 1.370 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.556 2.721 -0.369 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -22.645 3.766 0.748 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -21.993 3.410 -0.869 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -22.714 0.429 -0.903 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -21.150 1.119 -1.400 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.206 -0.159 -0.163 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.005 1.444 3.585 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.630 0.485 4.659 1.00 1.00 C ATOM 1377 C ALA A 87 -18.242 1.243 5.933 1.00 1.00 C ATOM 1378 O ALA A 87 -18.844 1.070 6.975 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.431 -0.283 4.105 1.00 1.00 C ATOM 0 H ALA A 87 -18.245 1.716 2.962 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.452 -0.181 4.924 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -17.094 -1.013 4.842 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.721 -0.799 3.189 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.621 0.414 3.888 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.236 2.077 5.861 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.803 2.838 7.063 1.00 1.00 C ATOM 1387 C GLU A 88 -18.005 3.203 7.932 1.00 1.00 C ATOM 1388 O GLU A 88 -17.879 3.409 9.123 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.136 4.091 6.508 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.078 5.286 6.666 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.268 6.528 7.045 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -15.537 6.458 8.020 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -16.391 7.526 6.355 1.00 1.00 O ATOM 0 H GLU A 88 -16.696 2.262 5.016 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.130 2.261 7.697 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.200 4.281 7.034 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -15.887 3.948 5.457 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -17.619 5.461 5.736 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.823 5.076 7.434 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.170 3.272 7.355 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.373 3.609 8.163 1.00 1.00 C ATOM 1402 C LYS A 89 -20.678 2.460 9.123 1.00 1.00 C ATOM 1403 O LYS A 89 -20.079 2.336 10.172 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.502 3.777 7.145 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.056 5.201 7.224 1.00 1.00 C ATOM 1406 CD LYS A 89 -23.549 5.187 6.890 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.768 4.468 5.557 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.395 3.168 5.921 1.00 1.00 N ATOM 0 H LYS A 89 -19.341 3.110 6.363 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.239 4.508 8.764 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.132 3.575 6.140 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.295 3.056 7.344 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -21.900 5.608 8.223 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -21.523 5.849 6.528 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -24.105 4.685 7.682 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -23.929 6.207 6.832 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -24.414 5.047 4.897 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -22.826 4.318 5.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -23.843 2.389 5.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -24.414 3.069 6.956 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -25.367 3.136 5.553 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.597 1.611 8.762 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.935 0.457 9.643 1.00 1.00 C ATOM 1423 C PHE A 90 -21.460 -0.847 8.997 1.00 1.00 C ATOM 1424 O PHE A 90 -21.597 -1.918 9.558 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.460 0.476 9.756 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.858 0.929 11.140 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -23.159 0.458 12.258 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.927 1.818 11.306 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.528 0.876 13.542 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.295 2.236 12.590 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.597 1.766 13.708 1.00 1.00 C ATOM 0 H PHE A 90 -22.130 1.665 7.894 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.456 0.525 10.620 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.882 1.146 9.007 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.862 -0.517 9.558 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -22.335 -0.228 12.130 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.467 2.181 10.444 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -22.989 0.513 14.404 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -26.119 2.922 12.718 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.882 2.089 14.698 1.00 1.00 H new ATOM 1441 N SER A 91 -20.923 -0.766 7.810 1.00 1.00 N ATOM 1442 CA SER A 91 -20.459 -1.996 7.109 1.00 1.00 C ATOM 1443 C SER A 91 -19.230 -2.601 7.791 1.00 1.00 C ATOM 1444 O SER A 91 -19.340 -3.476 8.628 1.00 1.00 O ATOM 1445 CB SER A 91 -20.108 -1.532 5.696 1.00 1.00 C ATOM 1446 OG SER A 91 -20.899 -0.398 5.364 1.00 1.00 O ATOM 0 H SER A 91 -20.785 0.103 7.294 1.00 1.00 H new ATOM 0 HA SER A 91 -21.223 -2.773 7.118 1.00 1.00 H new ATOM 0 HB2 SER A 91 -19.049 -1.281 5.636 1.00 1.00 H new ATOM 0 HB3 SER A 91 -20.286 -2.336 4.982 1.00 1.00 H new ATOM 0 HG SER A 91 -21.565 -0.650 4.690 1.00 1.00 H new ATOM 1452 N VAL A 92 -18.058 -2.147 7.438 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.816 -2.695 8.058 1.00 1.00 C ATOM 1454 C VAL A 92 -16.026 -1.576 8.742 1.00 1.00 C ATOM 1455 O VAL A 92 -14.872 -1.743 9.088 1.00 1.00 O ATOM 1456 CB VAL A 92 -16.018 -3.280 6.895 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.821 -4.062 7.439 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.915 -4.220 6.085 1.00 1.00 C ATOM 0 H VAL A 92 -17.906 -1.416 6.743 1.00 1.00 H new ATOM 0 HA VAL A 92 -17.032 -3.442 8.821 1.00 1.00 H new ATOM 0 HB VAL A 92 -15.663 -2.472 6.255 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.251 -4.480 6.609 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.183 -3.394 8.017 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -15.175 -4.870 8.079 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -16.347 -4.639 5.254 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -17.269 -5.027 6.726 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -17.769 -3.664 5.697 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.626 -0.433 8.930 1.00 1.00 N ATOM 1469 CA TYR A 93 -15.885 0.686 9.579 1.00 1.00 C ATOM 1470 C TYR A 93 -14.954 0.127 10.659 1.00 1.00 C ATOM 1471 O TYR A 93 -13.748 0.250 10.577 1.00 1.00 O ATOM 1472 CB TYR A 93 -16.963 1.569 10.208 1.00 1.00 C ATOM 1473 CG TYR A 93 -16.857 1.498 11.712 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -15.901 2.268 12.383 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -17.715 0.659 12.435 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -15.801 2.200 13.778 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -17.615 0.591 13.830 1.00 1.00 C ATOM 1478 CZ TYR A 93 -16.658 1.362 14.500 1.00 1.00 C ATOM 1479 OH TYR A 93 -16.560 1.294 15.876 1.00 1.00 O ATOM 0 H TYR A 93 -17.589 -0.226 8.665 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.269 1.243 8.873 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -16.845 2.599 9.873 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -17.951 1.240 9.886 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -15.240 2.915 11.825 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -18.453 0.065 11.917 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -15.063 2.794 14.296 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -18.276 -0.056 14.388 1.00 1.00 H new ATOM 0 HH TYR A 93 -17.229 0.666 16.221 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.505 -0.486 11.671 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.653 -1.052 12.757 1.00 1.00 C ATOM 1491 C ASP A 94 -13.481 -1.835 12.158 1.00 1.00 C ATOM 1492 O ASP A 94 -12.330 -1.547 12.422 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.577 -1.984 13.540 1.00 1.00 C ATOM 1494 CG ASP A 94 -14.814 -3.251 13.932 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -13.701 -3.123 14.415 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -15.356 -4.328 13.743 1.00 1.00 O ATOM 0 H ASP A 94 -16.509 -0.620 11.793 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.224 -0.276 13.391 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -15.948 -1.480 14.432 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -16.446 -2.243 12.936 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.764 -2.823 11.355 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.665 -3.624 10.742 1.00 1.00 C ATOM 1503 C GLN A 95 -11.649 -2.701 10.062 1.00 1.00 C ATOM 1504 O GLN A 95 -10.479 -2.704 10.387 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.354 -4.513 9.708 1.00 1.00 C ATOM 1506 CG GLN A 95 -13.129 -5.984 10.066 1.00 1.00 C ATOM 1507 CD GLN A 95 -14.282 -6.479 10.941 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -14.224 -6.387 12.151 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -15.335 -7.002 10.377 1.00 1.00 N ATOM 0 H GLN A 95 -14.708 -3.111 11.096 1.00 1.00 H new ATOM 0 HA GLN A 95 -12.117 -4.206 11.483 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -14.421 -4.294 9.679 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.959 -4.305 8.714 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -13.064 -6.584 9.158 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -12.182 -6.100 10.594 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -15.384 -7.079 9.361 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -16.110 -7.334 10.952 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.089 -1.912 9.121 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.148 -0.990 8.421 1.00 1.00 C ATOM 1520 C LEU A 96 -10.797 0.196 9.323 1.00 1.00 C ATOM 1521 O LEU A 96 -10.620 1.306 8.863 1.00 1.00 O ATOM 1522 CB LEU A 96 -11.908 -0.516 7.182 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.412 -0.683 7.411 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.178 0.218 6.441 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -13.804 -2.142 7.170 1.00 1.00 C ATOM 0 H LEU A 96 -13.058 -1.865 8.806 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.208 -1.478 8.162 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -11.674 0.529 6.977 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.596 -1.090 6.309 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.658 -0.405 8.436 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.249 0.100 6.603 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -13.898 1.257 6.611 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -13.934 -0.060 5.416 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -14.875 -2.263 7.333 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -13.559 -2.420 6.145 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -13.257 -2.784 7.860 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.695 -0.030 10.604 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.355 1.085 11.533 1.00 1.00 C ATOM 1539 C LYS A 97 -8.962 1.633 11.212 1.00 1.00 C ATOM 1540 O LYS A 97 -8.808 2.800 10.910 1.00 1.00 O ATOM 1541 CB LYS A 97 -10.377 0.460 12.929 1.00 1.00 C ATOM 1542 CG LYS A 97 -9.145 0.913 13.713 1.00 1.00 C ATOM 1543 CD LYS A 97 -8.659 -0.232 14.607 1.00 1.00 C ATOM 1544 CE LYS A 97 -9.702 -1.351 14.614 1.00 1.00 C ATOM 1545 NZ LYS A 97 -9.287 -2.255 15.723 1.00 1.00 N ATOM 0 H LYS A 97 -10.832 -0.938 11.048 1.00 1.00 H new ATOM 0 HA LYS A 97 -11.052 1.919 11.450 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -11.285 0.754 13.456 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -10.392 -0.627 12.852 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -8.354 1.213 13.026 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -9.388 1.785 14.320 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -7.705 -0.612 14.243 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -8.492 0.130 15.621 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -10.704 -0.956 14.780 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -9.722 -1.879 13.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -9.955 -3.049 15.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -8.332 -2.621 15.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -9.284 -1.727 16.619 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.992 0.765 11.288 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.590 1.160 11.003 1.00 1.00 C ATOM 1560 C PRO A 98 -6.417 1.472 9.513 1.00 1.00 C ATOM 1561 O PRO A 98 -5.889 2.501 9.143 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.775 -0.070 11.396 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.741 -1.213 11.371 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.111 -0.651 11.646 1.00 1.00 C ATOM 0 HA PRO A 98 -6.283 2.056 11.543 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -4.953 -0.235 10.700 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.335 0.050 12.386 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.719 -1.713 10.403 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.474 -1.958 12.121 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.874 -1.151 11.050 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.391 -0.776 12.692 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.856 0.590 8.658 1.00 1.00 N ATOM 1573 CA LEU A 99 -6.714 0.834 7.193 1.00 1.00 C ATOM 1574 C LEU A 99 -7.264 2.216 6.828 1.00 1.00 C ATOM 1575 O LEU A 99 -6.748 2.889 5.958 1.00 1.00 O ATOM 1576 CB LEU A 99 -7.542 -0.265 6.528 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.920 0.287 6.160 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -8.765 1.409 5.132 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -9.775 -0.834 5.563 1.00 1.00 C ATOM 0 H LEU A 99 -7.307 -0.290 8.910 1.00 1.00 H new ATOM 0 HA LEU A 99 -5.673 0.813 6.871 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.034 -0.628 5.635 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -7.647 -1.115 7.203 1.00 1.00 H new ATOM 0 HG LEU A 99 -9.404 0.679 7.055 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.748 1.801 4.871 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.156 2.208 5.555 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -8.281 1.018 4.237 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -10.757 -0.442 5.300 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -9.289 -1.225 4.669 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -9.888 -1.634 6.294 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.306 2.644 7.486 1.00 1.00 N ATOM 1592 CA PHE A 100 -8.885 3.982 7.172 1.00 1.00 C ATOM 1593 C PHE A 100 -8.150 5.074 7.953 1.00 1.00 C ATOM 1594 O PHE A 100 -8.108 6.219 7.547 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.345 3.897 7.618 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.217 3.575 6.429 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -10.746 3.804 5.131 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.499 3.046 6.625 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -11.555 3.505 4.029 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.309 2.746 5.523 1.00 1.00 C ATOM 1601 CZ PHE A 100 -12.837 2.975 4.225 1.00 1.00 C ATOM 0 H PHE A 100 -8.781 2.127 8.226 1.00 1.00 H new ATOM 0 HA PHE A 100 -8.795 4.232 6.115 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.458 3.130 8.384 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.655 4.842 8.065 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -9.757 4.212 4.980 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.863 2.869 7.626 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -11.191 3.683 3.028 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.298 2.338 5.674 1.00 1.00 H new ATOM 0 HZ PHE A 100 -13.461 2.743 3.375 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.571 4.730 9.070 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.841 5.750 9.875 1.00 1.00 C ATOM 1613 C ASP A 101 -5.375 5.819 9.442 1.00 1.00 C ATOM 1614 O ASP A 101 -4.832 6.882 9.220 1.00 1.00 O ATOM 1615 CB ASP A 101 -6.953 5.266 11.321 1.00 1.00 C ATOM 1616 CG ASP A 101 -8.323 5.649 11.883 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -9.295 5.524 11.156 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -8.378 6.060 13.031 1.00 1.00 O ATOM 0 H ASP A 101 -7.572 3.788 9.460 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.254 6.750 9.747 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.819 4.185 11.365 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.163 5.710 11.926 1.00 1.00 H new ATOM 1623 N PHE A 102 -4.728 4.691 9.322 1.00 1.00 N ATOM 1624 CA PHE A 102 -3.296 4.694 8.906 1.00 1.00 C ATOM 1625 C PHE A 102 -2.422 4.156 10.041 1.00 1.00 C ATOM 1626 O PHE A 102 -2.368 4.719 11.116 1.00 1.00 O ATOM 1627 CB PHE A 102 -2.967 6.161 8.623 1.00 1.00 C ATOM 1628 CG PHE A 102 -1.711 6.244 7.790 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -1.250 5.114 7.104 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -1.008 7.451 7.703 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -0.086 5.191 6.330 1.00 1.00 C ATOM 1632 CE2 PHE A 102 0.157 7.529 6.929 1.00 1.00 C ATOM 1633 CZ PHE A 102 0.618 6.399 6.242 1.00 1.00 C ATOM 0 H PHE A 102 -5.129 3.769 9.494 1.00 1.00 H new ATOM 0 HA PHE A 102 -3.115 4.064 8.036 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -3.796 6.636 8.098 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -2.831 6.701 9.560 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -1.792 4.183 7.172 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -1.364 8.322 8.233 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.269 4.319 5.801 1.00 1.00 H new ATOM 0 HE2 PHE A 102 0.700 8.460 6.862 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.516 6.459 5.645 1.00 1.00 H new ATOM 1643 N THR A 103 -1.743 3.067 9.814 1.00 1.00 N ATOM 1644 CA THR A 103 -0.881 2.492 10.885 1.00 1.00 C ATOM 1645 C THR A 103 0.416 3.294 11.011 1.00 1.00 C ATOM 1646 O THR A 103 1.199 3.381 10.085 1.00 1.00 O ATOM 1647 CB THR A 103 -0.585 1.062 10.431 1.00 1.00 C ATOM 1648 OG1 THR A 103 -0.234 1.069 9.054 1.00 1.00 O ATOM 1649 CG2 THR A 103 -1.825 0.192 10.640 1.00 1.00 C ATOM 0 H THR A 103 -1.747 2.550 8.935 1.00 1.00 H new ATOM 0 HA THR A 103 -1.365 2.518 11.861 1.00 1.00 H new ATOM 0 HB THR A 103 0.241 0.657 11.015 1.00 1.00 H new ATOM 0 HG1 THR A 103 0.375 1.815 8.876 1.00 1.00 H new ATOM 0 HG21 THR A 103 -1.613 -0.827 10.316 1.00 1.00 H new ATOM 0 HG22 THR A 103 -2.093 0.189 11.696 1.00 1.00 H new ATOM 0 HG23 THR A 103 -2.654 0.593 10.057 1.00 1.00 H new ATOM 1657 N GLN A 104 0.647 3.883 12.152 1.00 1.00 N ATOM 1658 CA GLN A 104 1.891 4.682 12.342 1.00 1.00 C ATOM 1659 C GLN A 104 3.029 3.779 12.825 1.00 1.00 C ATOM 1660 O GLN A 104 2.805 2.687 13.308 1.00 1.00 O ATOM 1661 CB GLN A 104 1.538 5.719 13.409 1.00 1.00 C ATOM 1662 CG GLN A 104 0.431 6.635 12.885 1.00 1.00 C ATOM 1663 CD GLN A 104 -0.425 7.124 14.056 1.00 1.00 C ATOM 1664 OE1 GLN A 104 -0.820 8.273 14.097 1.00 1.00 O ATOM 1665 NE2 GLN A 104 -0.730 6.295 15.017 1.00 1.00 N ATOM 0 H GLN A 104 0.028 3.846 12.962 1.00 1.00 H new ATOM 0 HA GLN A 104 2.227 5.150 11.417 1.00 1.00 H new ATOM 0 HB2 GLN A 104 1.210 5.220 14.321 1.00 1.00 H new ATOM 0 HB3 GLN A 104 2.419 6.307 13.666 1.00 1.00 H new ATOM 0 HG2 GLN A 104 0.866 7.485 12.359 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -0.189 6.099 12.166 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -0.399 5.331 14.983 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -1.300 6.611 15.802 1.00 1.00 H new ATOM 1674 N THR A 105 4.248 4.224 12.694 1.00 1.00 N ATOM 1675 CA THR A 105 5.399 3.388 13.140 1.00 1.00 C ATOM 1676 C THR A 105 5.637 3.562 14.643 1.00 1.00 C ATOM 1677 O THR A 105 5.554 4.651 15.174 1.00 1.00 O ATOM 1678 CB THR A 105 6.597 3.908 12.343 1.00 1.00 C ATOM 1679 OG1 THR A 105 7.536 2.858 12.162 1.00 1.00 O ATOM 1680 CG2 THR A 105 7.257 5.060 13.100 1.00 1.00 C ATOM 0 H THR A 105 4.497 5.130 12.298 1.00 1.00 H new ATOM 0 HA THR A 105 5.225 2.325 12.971 1.00 1.00 H new ATOM 0 HB THR A 105 6.258 4.264 11.370 1.00 1.00 H new ATOM 0 HG1 THR A 105 8.435 3.236 12.063 1.00 1.00 H new ATOM 0 HG21 THR A 105 8.110 5.428 12.530 1.00 1.00 H new ATOM 0 HG22 THR A 105 6.536 5.866 13.236 1.00 1.00 H new ATOM 0 HG23 THR A 105 7.596 4.708 14.074 1.00 1.00 H new ATOM 1688 N ASP A 106 5.935 2.493 15.329 1.00 1.00 N ATOM 1689 CA ASP A 106 6.183 2.590 16.797 1.00 1.00 C ATOM 1690 C ASP A 106 7.187 3.707 17.091 1.00 1.00 C ATOM 1691 O ASP A 106 7.862 3.698 18.101 1.00 1.00 O ATOM 1692 CB ASP A 106 6.761 1.231 17.193 1.00 1.00 C ATOM 1693 CG ASP A 106 7.435 0.589 15.980 1.00 1.00 C ATOM 1694 OD1 ASP A 106 6.723 0.171 15.083 1.00 1.00 O ATOM 1695 OD2 ASP A 106 8.654 0.526 15.968 1.00 1.00 O ATOM 0 H ASP A 106 6.018 1.555 14.937 1.00 1.00 H new ATOM 0 HA ASP A 106 5.276 2.824 17.354 1.00 1.00 H new ATOM 0 HB2 ASP A 106 7.482 1.352 18.001 1.00 1.00 H new ATOM 0 HB3 ASP A 106 5.969 0.583 17.568 1.00 1.00 H new ATOM 1700 N GLY A 107 7.295 4.667 16.213 1.00 1.00 N ATOM 1701 CA GLY A 107 8.260 5.780 16.438 1.00 1.00 C ATOM 1702 C GLY A 107 9.565 5.477 15.699 1.00 1.00 C ATOM 1703 O GLY A 107 10.403 6.338 15.521 1.00 1.00 O ATOM 0 H GLY A 107 6.756 4.728 15.349 1.00 1.00 H new ATOM 0 HA2 GLY A 107 7.838 6.720 16.083 1.00 1.00 H new ATOM 0 HA3 GLY A 107 8.452 5.900 17.504 1.00 1.00 H new ATOM 1707 N SER A 108 9.739 4.261 15.259 1.00 1.00 N ATOM 1708 CA SER A 108 10.985 3.905 14.523 1.00 1.00 C ATOM 1709 C SER A 108 10.792 4.153 13.025 1.00 1.00 C ATOM 1710 O SER A 108 9.692 4.382 12.564 1.00 1.00 O ATOM 1711 CB SER A 108 11.199 2.418 14.798 1.00 1.00 C ATOM 1712 OG SER A 108 12.486 2.226 15.370 1.00 1.00 O ATOM 0 H SER A 108 9.072 3.498 15.377 1.00 1.00 H new ATOM 0 HA SER A 108 11.841 4.501 14.840 1.00 1.00 H new ATOM 0 HB2 SER A 108 10.429 2.047 15.474 1.00 1.00 H new ATOM 0 HB3 SER A 108 11.111 1.849 13.872 1.00 1.00 H new ATOM 0 HG SER A 108 12.625 1.273 15.549 1.00 1.00 H new ATOM 1718 N ALA A 109 11.848 4.111 12.260 1.00 1.00 N ATOM 1719 CA ALA A 109 11.708 4.347 10.794 1.00 1.00 C ATOM 1720 C ALA A 109 10.984 3.169 10.137 1.00 1.00 C ATOM 1721 O ALA A 109 11.487 2.064 10.094 1.00 1.00 O ATOM 1722 CB ALA A 109 13.140 4.454 10.271 1.00 1.00 C ATOM 0 H ALA A 109 12.797 3.925 12.584 1.00 1.00 H new ATOM 0 HA ALA A 109 11.126 5.242 10.573 1.00 1.00 H new ATOM 0 HB1 ALA A 109 13.122 4.628 9.195 1.00 1.00 H new ATOM 0 HB2 ALA A 109 13.647 5.283 10.765 1.00 1.00 H new ATOM 0 HB3 ALA A 109 13.674 3.527 10.479 1.00 1.00 H new ATOM 1728 N SER A 110 9.807 3.398 9.620 1.00 1.00 N ATOM 1729 CA SER A 110 9.053 2.295 8.961 1.00 1.00 C ATOM 1730 C SER A 110 8.835 2.619 7.481 1.00 1.00 C ATOM 1731 O SER A 110 8.126 3.547 7.149 1.00 1.00 O ATOM 1732 CB SER A 110 7.717 2.232 9.700 1.00 1.00 C ATOM 1733 OG SER A 110 7.071 1.002 9.399 1.00 1.00 O ATOM 0 H SER A 110 9.335 4.302 9.626 1.00 1.00 H new ATOM 0 HA SER A 110 9.586 1.345 9.004 1.00 1.00 H new ATOM 0 HB2 SER A 110 7.878 2.318 10.775 1.00 1.00 H new ATOM 0 HB3 SER A 110 7.085 3.070 9.405 1.00 1.00 H new ATOM 0 HG SER A 110 6.214 0.958 9.873 1.00 1.00 H new ATOM 1739 N PRO A 111 9.456 1.840 6.638 1.00 1.00 N ATOM 1740 CA PRO A 111 9.325 2.053 5.176 1.00 1.00 C ATOM 1741 C PRO A 111 7.885 1.785 4.726 1.00 1.00 C ATOM 1742 O PRO A 111 7.478 0.649 4.591 1.00 1.00 O ATOM 1743 CB PRO A 111 10.282 1.030 4.564 1.00 1.00 C ATOM 1744 CG PRO A 111 10.533 0.019 5.640 1.00 1.00 C ATOM 1745 CD PRO A 111 10.324 0.707 6.963 1.00 1.00 C ATOM 0 HA PRO A 111 9.558 3.074 4.874 1.00 1.00 H new ATOM 0 HB2 PRO A 111 9.845 0.563 3.682 1.00 1.00 H new ATOM 0 HB3 PRO A 111 11.211 1.503 4.247 1.00 1.00 H new ATOM 0 HG2 PRO A 111 9.855 -0.828 5.537 1.00 1.00 H new ATOM 0 HG3 PRO A 111 11.547 -0.374 5.568 1.00 1.00 H new ATOM 0 HD2 PRO A 111 9.857 0.042 7.690 1.00 1.00 H new ATOM 0 HD3 PRO A 111 11.269 1.038 7.395 1.00 1.00 H new ATOM 1753 N PRO A 112 7.165 2.851 4.507 1.00 1.00 N ATOM 1754 CA PRO A 112 5.758 2.744 4.063 1.00 1.00 C ATOM 1755 C PRO A 112 5.692 2.497 2.554 1.00 1.00 C ATOM 1756 O PRO A 112 6.400 3.124 1.792 1.00 1.00 O ATOM 1757 CB PRO A 112 5.176 4.110 4.410 1.00 1.00 C ATOM 1758 CG PRO A 112 6.341 5.052 4.391 1.00 1.00 C ATOM 1759 CD PRO A 112 7.591 4.246 4.657 1.00 1.00 C ATOM 0 HA PRO A 112 5.220 1.920 4.531 1.00 1.00 H new ATOM 0 HB2 PRO A 112 4.416 4.409 3.688 1.00 1.00 H new ATOM 0 HB3 PRO A 112 4.697 4.096 5.389 1.00 1.00 H new ATOM 0 HG2 PRO A 112 6.409 5.556 3.427 1.00 1.00 H new ATOM 0 HG3 PRO A 112 6.218 5.827 5.148 1.00 1.00 H new ATOM 0 HD2 PRO A 112 8.383 4.497 3.952 1.00 1.00 H new ATOM 0 HD3 PRO A 112 7.982 4.437 5.657 1.00 1.00 H new ATOM 1767 N PRO A 113 4.837 1.589 2.171 1.00 1.00 N ATOM 1768 CA PRO A 113 4.673 1.258 0.736 1.00 1.00 C ATOM 1769 C PRO A 113 3.918 2.379 0.019 1.00 1.00 C ATOM 1770 O PRO A 113 4.469 3.092 -0.795 1.00 1.00 O ATOM 1771 CB PRO A 113 3.848 -0.024 0.755 1.00 1.00 C ATOM 1772 CG PRO A 113 3.099 0.022 2.050 1.00 1.00 C ATOM 1773 CD PRO A 113 3.952 0.791 3.027 1.00 1.00 C ATOM 0 HA PRO A 113 5.621 1.140 0.211 1.00 1.00 H new ATOM 0 HB2 PRO A 113 3.167 -0.068 -0.095 1.00 1.00 H new ATOM 0 HB3 PRO A 113 4.486 -0.906 0.698 1.00 1.00 H new ATOM 0 HG2 PRO A 113 2.131 0.506 1.919 1.00 1.00 H new ATOM 0 HG3 PRO A 113 2.904 -0.985 2.418 1.00 1.00 H new ATOM 0 HD2 PRO A 113 3.346 1.424 3.675 1.00 1.00 H new ATOM 0 HD3 PRO A 113 4.519 0.122 3.675 1.00 1.00 H new ATOM 1781 N ALA A 114 2.654 2.526 0.306 1.00 1.00 N ATOM 1782 CA ALA A 114 1.850 3.586 -0.368 1.00 1.00 C ATOM 1783 C ALA A 114 2.743 4.749 -0.805 1.00 1.00 C ATOM 1784 O ALA A 114 3.532 5.258 -0.035 1.00 1.00 O ATOM 1785 CB ALA A 114 0.851 4.051 0.691 1.00 1.00 C ATOM 0 H ALA A 114 2.142 1.957 0.980 1.00 1.00 H new ATOM 0 HA ALA A 114 1.359 3.216 -1.268 1.00 1.00 H new ATOM 0 HB1 ALA A 114 0.218 4.834 0.275 1.00 1.00 H new ATOM 0 HB2 ALA A 114 0.231 3.210 1.001 1.00 1.00 H new ATOM 0 HB3 ALA A 114 1.391 4.441 1.554 1.00 1.00 H new ATOM 1791 N PRO A 115 2.578 5.124 -2.045 1.00 1.00 N ATOM 1792 CA PRO A 115 3.366 6.239 -2.627 1.00 1.00 C ATOM 1793 C PRO A 115 3.107 7.538 -1.860 1.00 1.00 C ATOM 1794 O PRO A 115 2.185 7.635 -1.075 1.00 1.00 O ATOM 1795 CB PRO A 115 2.860 6.349 -4.067 1.00 1.00 C ATOM 1796 CG PRO A 115 1.580 5.571 -4.110 1.00 1.00 C ATOM 1797 CD PRO A 115 1.643 4.547 -3.011 1.00 1.00 C ATOM 0 HA PRO A 115 4.440 6.063 -2.577 1.00 1.00 H new ATOM 0 HB2 PRO A 115 2.695 7.390 -4.345 1.00 1.00 H new ATOM 0 HB3 PRO A 115 3.588 5.943 -4.769 1.00 1.00 H new ATOM 0 HG2 PRO A 115 0.724 6.231 -3.971 1.00 1.00 H new ATOM 0 HG3 PRO A 115 1.456 5.088 -5.079 1.00 1.00 H new ATOM 0 HD2 PRO A 115 0.662 4.378 -2.566 1.00 1.00 H new ATOM 0 HD3 PRO A 115 1.995 3.584 -3.382 1.00 1.00 H new ATOM 1805 N LYS A 116 3.913 8.538 -2.089 1.00 1.00 N ATOM 1806 CA LYS A 116 3.710 9.833 -1.380 1.00 1.00 C ATOM 1807 C LYS A 116 2.311 10.377 -1.677 1.00 1.00 C ATOM 1808 O LYS A 116 1.881 10.421 -2.813 1.00 1.00 O ATOM 1809 CB LYS A 116 4.783 10.768 -1.943 1.00 1.00 C ATOM 1810 CG LYS A 116 5.607 11.349 -0.793 1.00 1.00 C ATOM 1811 CD LYS A 116 5.854 12.839 -1.044 1.00 1.00 C ATOM 1812 CE LYS A 116 7.129 13.275 -0.318 1.00 1.00 C ATOM 1813 NZ LYS A 116 6.712 14.429 0.527 1.00 1.00 N ATOM 0 H LYS A 116 4.702 8.515 -2.735 1.00 1.00 H new ATOM 0 HA LYS A 116 3.790 9.731 -0.298 1.00 1.00 H new ATOM 0 HB2 LYS A 116 5.431 10.224 -2.630 1.00 1.00 H new ATOM 0 HB3 LYS A 116 4.317 11.572 -2.513 1.00 1.00 H new ATOM 0 HG2 LYS A 116 5.081 11.211 0.152 1.00 1.00 H new ATOM 0 HG3 LYS A 116 6.557 10.821 -0.709 1.00 1.00 H new ATOM 0 HD2 LYS A 116 5.949 13.028 -2.113 1.00 1.00 H new ATOM 0 HD3 LYS A 116 5.004 13.424 -0.692 1.00 1.00 H new ATOM 0 HE2 LYS A 116 7.534 12.466 0.290 1.00 1.00 H new ATOM 0 HE3 LYS A 116 7.907 13.563 -1.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 7.533 14.785 1.057 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 6.337 15.186 -0.080 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 5.975 14.123 1.194 1.00 1.00 H new ATOM 1826 N HIS A 117 1.595 10.788 -0.668 1.00 1.00 N ATOM 1827 CA HIS A 117 0.222 11.324 -0.897 1.00 1.00 C ATOM 1828 C HIS A 117 0.294 12.683 -1.598 1.00 1.00 C ATOM 1829 O HIS A 117 1.010 13.571 -1.180 1.00 1.00 O ATOM 1830 CB HIS A 117 -0.384 11.472 0.500 1.00 1.00 C ATOM 1831 CG HIS A 117 -0.148 12.869 1.002 1.00 1.00 C ATOM 1832 ND1 HIS A 117 -0.311 13.983 0.195 1.00 1.00 N ATOM 1833 CD2 HIS A 117 0.241 13.349 2.229 1.00 1.00 C ATOM 1834 CE1 HIS A 117 -0.024 15.068 0.937 1.00 1.00 C ATOM 1835 NE2 HIS A 117 0.319 14.738 2.185 1.00 1.00 N ATOM 0 H HIS A 117 1.900 10.776 0.305 1.00 1.00 H new ATOM 0 HA HIS A 117 -0.375 10.671 -1.533 1.00 1.00 H new ATOM 0 HB2 HIS A 117 -1.453 11.261 0.469 1.00 1.00 H new ATOM 0 HB3 HIS A 117 0.064 10.749 1.181 1.00 1.00 H new ATOM 0 HD2 HIS A 117 0.454 12.741 3.096 1.00 1.00 H new ATOM 0 HE1 HIS A 117 -0.066 16.082 0.568 1.00 1.00 H new ATOM 0 HE2 HIS A 117 0.582 15.368 2.943 1.00 1.00 H new ATOM 1843 N HIS A 118 -0.442 12.851 -2.662 1.00 1.00 N ATOM 1844 CA HIS A 118 -0.414 14.154 -3.388 1.00 1.00 C ATOM 1845 C HIS A 118 -0.601 15.307 -2.399 1.00 1.00 C ATOM 1846 O HIS A 118 -1.429 15.250 -1.513 1.00 1.00 O ATOM 1847 CB HIS A 118 -1.587 14.088 -4.365 1.00 1.00 C ATOM 1848 CG HIS A 118 -2.522 12.985 -3.955 1.00 1.00 C ATOM 1849 ND1 HIS A 118 -3.156 12.170 -4.881 1.00 1.00 N ATOM 1850 CD2 HIS A 118 -2.940 12.547 -2.723 1.00 1.00 C ATOM 1851 CE1 HIS A 118 -3.914 11.293 -4.197 1.00 1.00 C ATOM 1852 NE2 HIS A 118 -3.819 11.479 -2.878 1.00 1.00 N ATOM 0 H HIS A 118 -1.061 12.145 -3.060 1.00 1.00 H new ATOM 0 HA HIS A 118 0.532 14.324 -3.902 1.00 1.00 H new ATOM 0 HB2 HIS A 118 -2.116 15.041 -4.379 1.00 1.00 H new ATOM 0 HB3 HIS A 118 -1.222 13.912 -5.377 1.00 1.00 H new ATOM 0 HD2 HIS A 118 -2.633 12.967 -1.777 1.00 1.00 H new ATOM 0 HE1 HIS A 118 -4.525 10.531 -4.659 1.00 1.00 H new ATOM 0 HE2 HIS A 118 -4.289 10.952 -2.142 1.00 1.00 H new ATOM 1860 N HIS A 119 0.167 16.353 -2.542 1.00 1.00 N ATOM 1861 CA HIS A 119 0.034 17.506 -1.606 1.00 1.00 C ATOM 1862 C HIS A 119 -0.727 18.653 -2.276 1.00 1.00 C ATOM 1863 O HIS A 119 -0.160 19.446 -3.002 1.00 1.00 O ATOM 1864 CB HIS A 119 1.470 17.927 -1.294 1.00 1.00 C ATOM 1865 CG HIS A 119 2.419 16.860 -1.764 1.00 1.00 C ATOM 1866 ND1 HIS A 119 2.499 15.619 -1.150 1.00 1.00 N ATOM 1867 CD2 HIS A 119 3.333 16.830 -2.789 1.00 1.00 C ATOM 1868 CE1 HIS A 119 3.430 14.902 -1.805 1.00 1.00 C ATOM 1869 NE2 HIS A 119 3.970 15.593 -2.812 1.00 1.00 N ATOM 0 H HIS A 119 0.879 16.459 -3.265 1.00 1.00 H new ATOM 0 HA HIS A 119 -0.522 17.243 -0.706 1.00 1.00 H new ATOM 0 HB2 HIS A 119 1.698 18.873 -1.785 1.00 1.00 H new ATOM 0 HB3 HIS A 119 1.588 18.088 -0.222 1.00 1.00 H new ATOM 0 HD2 HIS A 119 3.528 17.643 -3.473 1.00 1.00 H new ATOM 0 HE1 HIS A 119 3.707 13.890 -1.548 1.00 1.00 H new ATOM 0 HE2 HIS A 119 4.694 15.281 -3.459 1.00 1.00 H new ATOM 1877 N ALA A 120 -2.006 18.752 -2.034 1.00 1.00 N ATOM 1878 CA ALA A 120 -2.795 19.856 -2.655 1.00 1.00 C ATOM 1879 C ALA A 120 -2.026 21.173 -2.530 1.00 1.00 C ATOM 1880 O ALA A 120 -1.447 21.466 -1.502 1.00 1.00 O ATOM 1881 CB ALA A 120 -4.095 19.913 -1.853 1.00 1.00 C ATOM 0 H ALA A 120 -2.538 18.119 -1.436 1.00 1.00 H new ATOM 0 HA ALA A 120 -2.983 19.692 -3.716 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -4.733 20.703 -2.249 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -4.612 18.957 -1.930 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -3.868 20.120 -0.807 1.00 1.00 H new ATOM 1887 N SER A 121 -2.005 21.966 -3.564 1.00 1.00 N ATOM 1888 CA SER A 121 -1.265 23.255 -3.496 1.00 1.00 C ATOM 1889 C SER A 121 -2.151 24.339 -2.886 1.00 1.00 C ATOM 1890 O SER A 121 -3.052 24.850 -3.520 1.00 1.00 O ATOM 1891 CB SER A 121 -0.926 23.595 -4.947 1.00 1.00 C ATOM 1892 OG SER A 121 -2.096 23.464 -5.744 1.00 1.00 O ATOM 0 H SER A 121 -2.468 21.777 -4.453 1.00 1.00 H new ATOM 0 HA SER A 121 -0.372 23.186 -2.875 1.00 1.00 H new ATOM 0 HB2 SER A 121 -0.538 24.611 -5.014 1.00 1.00 H new ATOM 0 HB3 SER A 121 -0.144 22.931 -5.316 1.00 1.00 H new ATOM 0 HG SER A 121 -2.853 23.884 -5.285 1.00 1.00 H new ATOM 1898 N LYS A 122 -1.911 24.683 -1.654 1.00 1.00 N ATOM 1899 CA LYS A 122 -2.750 25.720 -0.995 1.00 1.00 C ATOM 1900 C LYS A 122 -2.645 27.046 -1.755 1.00 1.00 C ATOM 1901 O LYS A 122 -1.736 27.259 -2.532 1.00 1.00 O ATOM 1902 CB LYS A 122 -2.183 25.860 0.419 1.00 1.00 C ATOM 1903 CG LYS A 122 -3.329 26.107 1.403 1.00 1.00 C ATOM 1904 CD LYS A 122 -2.961 25.537 2.774 1.00 1.00 C ATOM 1905 CE LYS A 122 -1.697 24.683 2.654 1.00 1.00 C ATOM 1906 NZ LYS A 122 -1.161 24.595 4.040 1.00 1.00 N ATOM 0 H LYS A 122 -1.169 24.291 -1.074 1.00 1.00 H new ATOM 0 HA LYS A 122 -3.805 25.446 -0.979 1.00 1.00 H new ATOM 0 HB2 LYS A 122 -1.639 24.957 0.696 1.00 1.00 H new ATOM 0 HB3 LYS A 122 -1.471 26.685 0.458 1.00 1.00 H new ATOM 0 HG2 LYS A 122 -3.528 27.176 1.484 1.00 1.00 H new ATOM 0 HG3 LYS A 122 -4.243 25.639 1.037 1.00 1.00 H new ATOM 0 HD2 LYS A 122 -2.798 26.348 3.484 1.00 1.00 H new ATOM 0 HD3 LYS A 122 -3.783 24.935 3.161 1.00 1.00 H new ATOM 0 HE2 LYS A 122 -1.925 23.695 2.255 1.00 1.00 H new ATOM 0 HE3 LYS A 122 -0.974 25.141 1.979 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 -0.292 24.024 4.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 -0.947 25.550 4.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 -1.869 24.149 4.658 1.00 1.00 H new ATOM 1919 N VAL A 123 -3.573 27.936 -1.534 1.00 1.00 N ATOM 1920 CA VAL A 123 -3.533 29.248 -2.241 1.00 1.00 C ATOM 1921 C VAL A 123 -2.837 30.297 -1.371 1.00 1.00 C ATOM 1922 O VAL A 123 -3.365 30.736 -0.368 1.00 1.00 O ATOM 1923 CB VAL A 123 -4.999 29.623 -2.462 1.00 1.00 C ATOM 1924 CG1 VAL A 123 -5.120 30.497 -3.710 1.00 1.00 C ATOM 1925 CG2 VAL A 123 -5.827 28.350 -2.649 1.00 1.00 C ATOM 0 H VAL A 123 -4.358 27.812 -0.894 1.00 1.00 H new ATOM 0 HA VAL A 123 -2.979 29.195 -3.178 1.00 1.00 H new ATOM 0 HB VAL A 123 -5.368 30.174 -1.597 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -6.165 30.764 -3.867 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -4.530 31.404 -3.578 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -4.752 29.947 -4.576 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -6.872 28.616 -2.807 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -5.458 27.800 -3.515 1.00 1.00 H new ATOM 0 HG23 VAL A 123 -5.741 27.726 -1.759 1.00 1.00 H new ATOM 1935 N ASP A 124 -1.653 30.702 -1.744 1.00 1.00 N ATOM 1936 CA ASP A 124 -0.926 31.722 -0.936 1.00 1.00 C ATOM 1937 C ASP A 124 -1.387 33.130 -1.324 1.00 1.00 C ATOM 1938 O ASP A 124 -0.994 34.067 -0.651 1.00 1.00 O ATOM 1939 CB ASP A 124 0.550 31.526 -1.283 1.00 1.00 C ATOM 1940 CG ASP A 124 1.328 31.161 -0.018 1.00 1.00 C ATOM 1941 OD1 ASP A 124 1.363 31.977 0.888 1.00 1.00 O ATOM 1942 OD2 ASP A 124 1.876 30.072 0.023 1.00 1.00 O ATOM 0 H ASP A 124 -1.158 30.371 -2.572 1.00 1.00 H new ATOM 0 HA ASP A 124 -1.111 31.610 0.132 1.00 1.00 H new ATOM 0 HB2 ASP A 124 0.658 30.738 -2.029 1.00 1.00 H new ATOM 0 HB3 ASP A 124 0.955 32.438 -1.722 1.00 1.00 H new TER 1947 ASP A 124