USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1045 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 112 ASN : amide:sc= -1.66 K(o=-2.5,f=-0.26) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 136:sc= -0.864 (180deg=-2.29!) USER MOD Set 2.1: A 99 THR OG1 : rot 122:sc= 0.147 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.141 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 140:sc= -4.2! (180deg=-2.36!) USER MOD Set 3.2: A 107 GLN : amide:sc= -3.49! K(o=-7.7!,f=-2.8) USER MOD Set 4.1: A 42 ASN : amide:sc= -0.195 K(o=-5.5,f=-6.6!) USER MOD Set 4.2: A 82 ASN : amide:sc= -5.27! K(o=-5.5!,f=-6.6) USER MOD Set 5.1: A 16 SER OG : rot -2:sc= -0.203 USER MOD Set 5.2: A 19 ASN : amide:sc= -0.912 K(o=-1.1,f=-1.7) USER MOD Single : A 6 SER OG : rot 180:sc= -0.305 USER MOD Single : A 7 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3.9!) USER MOD Single : A 23 HIS : no HE2:sc= -9.05! C(o=-9.1!,f=-22!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= -1.66 (180deg=-2.57!) USER MOD Single : A 35 LYS NZ :NH3+ 123:sc= 0.00557 (180deg=-0.348) USER MOD Single : A 36 SER OG : rot 74:sc= 0.334 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -170:sc= -0.404 USER MOD Single : A 48 SER OG : rot -48:sc= 1.07 USER MOD Single : A 49 CYS SG : rot 139:sc= -1.86! USER MOD Single : A 52 TYR OH : rot 5:sc= 0.546 USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.0793 (180deg=-0.607) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.0627 (180deg=-0.664) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 141:sc= -0.599 USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= -2.44 (180deg=-4.43!) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= -1.89 (180deg=-4.26!) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc=-0.000203 (180deg=-0.235) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.8!) USER MOD Single : A 74 SER OG : rot 160:sc= -2.44! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.04) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 117:sc= -0.422! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -61:sc= 0.579 USER MOD Single : A 94 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.93) USER MOD Single : A 95 MET CE :methyl 159:sc= -0.0341 (180deg=-1.03) USER MOD Single : A 102 CYS SG : rot -96:sc= -0.503 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= -0.0521 (180deg=-0.603) USER MOD Single : A 114 MET CE :methyl 141:sc= -1.58 (180deg=-7.4!) USER MOD Single : A 118 SER OG : rot -37:sc= -0.94 USER MOD Single : A 119 TYR OH : rot -155:sc= -2.73! USER MOD Single : A 124 LYS NZ :NH3+ 128:sc= -0.126 (180deg=-0.947) USER MOD Single : A 125 SER OG : rot 22:sc= -0.478 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -153:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.990 0.942 -12.258 1.00 15.43 N ATOM 18 CA SER A 6 -13.457 1.128 -12.104 1.00 14.66 C ATOM 19 C SER A 6 -13.742 1.887 -10.809 1.00 13.40 C ATOM 20 O SER A 6 -12.935 1.915 -9.901 1.00 12.58 O ATOM 21 CB SER A 6 -14.132 -0.240 -12.048 1.00 15.49 C ATOM 22 OG SER A 6 -13.818 -0.861 -10.810 1.00 15.97 O ATOM 0 HA SER A 6 -13.845 1.696 -12.950 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.212 -0.131 -12.151 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.793 -0.861 -12.877 1.00 15.49 H new ATOM 0 HG SER A 6 -14.249 -1.740 -10.766 1.00 15.97 H new ATOM 28 N GLN A 7 -14.891 2.491 -10.710 1.00 13.37 N ATOM 29 CA GLN A 7 -15.235 3.233 -9.468 1.00 12.23 C ATOM 30 C GLN A 7 -15.377 2.225 -8.330 1.00 11.36 C ATOM 31 O GLN A 7 -15.209 2.546 -7.171 1.00 10.97 O ATOM 32 CB GLN A 7 -16.557 3.978 -9.665 1.00 13.19 C ATOM 33 CG GLN A 7 -16.375 5.074 -10.718 1.00 13.36 C ATOM 34 CD GLN A 7 -15.418 6.145 -10.189 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.477 6.520 -10.860 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.620 6.658 -9.005 1.00 13.77 N ATOM 0 H GLN A 7 -15.607 2.503 -11.436 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.454 3.956 -9.233 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.335 3.282 -9.980 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.884 4.416 -8.722 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.982 4.645 -11.639 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -17.339 5.522 -10.961 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.410 6.344 -8.441 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.988 7.373 -8.644 1.00 13.77 H new ATOM 45 N GLU A 8 -15.690 1.006 -8.661 1.00 13.01 N ATOM 46 CA GLU A 8 -15.844 -0.041 -7.617 1.00 12.24 C ATOM 47 C GLU A 8 -14.483 -0.355 -6.992 1.00 11.73 C ATOM 48 O GLU A 8 -14.376 -0.629 -5.814 1.00 11.71 O ATOM 49 CB GLU A 8 -16.405 -1.313 -8.248 1.00 13.27 C ATOM 50 CG GLU A 8 -17.853 -1.079 -8.674 1.00 13.55 C ATOM 51 CD GLU A 8 -18.407 -2.357 -9.303 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.613 -3.219 -9.640 1.00 14.92 O ATOM 53 OE2 GLU A 8 -19.616 -2.457 -9.427 1.00 15.06 O ATOM 0 H GLU A 8 -15.847 0.688 -9.617 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.525 0.323 -6.847 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.803 -1.599 -9.111 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.353 -2.137 -7.536 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.456 -0.793 -7.812 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.906 -0.256 -9.387 1.00 13.55 H new ATOM 60 N GLU A 9 -13.450 -0.354 -7.788 1.00 11.46 N ATOM 61 CA GLU A 9 -12.095 -0.693 -7.265 1.00 11.12 C ATOM 62 C GLU A 9 -11.546 0.405 -6.339 1.00 10.28 C ATOM 63 O GLU A 9 -10.969 0.112 -5.312 1.00 10.32 O ATOM 64 CB GLU A 9 -11.144 -0.872 -8.454 1.00 12.40 C ATOM 65 CG GLU A 9 -11.425 -2.204 -9.155 1.00 13.24 C ATOM 66 CD GLU A 9 -10.482 -2.357 -10.350 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.930 -1.353 -10.774 1.00 14.26 O ATOM 68 OE2 GLU A 9 -10.326 -3.471 -10.821 1.00 14.68 O ATOM 0 H GLU A 9 -13.485 -0.132 -8.783 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.172 -1.611 -6.682 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.269 -0.048 -9.157 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.110 -0.844 -8.110 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.285 -3.031 -8.459 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.462 -2.240 -9.489 1.00 13.24 H new ATOM 75 N VAL A 10 -11.694 1.657 -6.682 1.00 9.75 N ATOM 76 CA VAL A 10 -11.144 2.728 -5.793 1.00 9.10 C ATOM 77 C VAL A 10 -11.897 2.770 -4.461 1.00 7.91 C ATOM 78 O VAL A 10 -11.308 2.985 -3.420 1.00 7.70 O ATOM 79 CB VAL A 10 -11.223 4.088 -6.485 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.378 4.053 -7.757 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.672 4.402 -6.845 1.00 11.17 C ATOM 0 H VAL A 10 -12.164 1.984 -7.526 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.098 2.496 -5.590 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.847 4.860 -5.813 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.430 5.021 -8.255 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.342 3.833 -7.500 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.758 3.280 -8.425 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.722 5.373 -7.338 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.055 3.634 -7.517 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.276 4.424 -5.938 1.00 11.17 H new ATOM 91 N LYS A 11 -13.187 2.566 -4.469 1.00 7.38 N ATOM 92 CA LYS A 11 -13.938 2.601 -3.181 1.00 6.32 C ATOM 93 C LYS A 11 -13.374 1.546 -2.239 1.00 5.68 C ATOM 94 O LYS A 11 -13.342 1.728 -1.039 1.00 5.93 O ATOM 95 CB LYS A 11 -15.424 2.332 -3.418 1.00 8.26 C ATOM 96 CG LYS A 11 -16.054 3.539 -4.119 1.00 8.64 C ATOM 97 CD LYS A 11 -17.576 3.374 -4.169 1.00 9.23 C ATOM 98 CE LYS A 11 -17.963 2.336 -5.225 1.00 9.91 C ATOM 99 NZ LYS A 11 -19.431 2.410 -5.458 1.00 10.51 N ATOM 0 H LYS A 11 -13.748 2.379 -5.300 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.829 3.591 -2.737 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.550 1.437 -4.027 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.927 2.145 -2.469 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.796 4.455 -3.588 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.656 3.633 -5.129 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.947 3.065 -3.192 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.045 4.330 -4.400 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.424 2.524 -6.154 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.684 1.337 -4.891 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -19.705 1.708 -6.175 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -19.934 2.212 -4.570 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -19.682 3.362 -5.793 1.00 10.51 H new ATOM 113 N LYS A 12 -12.915 0.447 -2.763 1.00 5.08 N ATOM 114 CA LYS A 12 -12.344 -0.595 -1.874 1.00 4.72 C ATOM 115 C LYS A 12 -11.155 0.015 -1.138 1.00 4.34 C ATOM 116 O LYS A 12 -10.933 -0.238 0.027 1.00 4.65 O ATOM 117 CB LYS A 12 -11.869 -1.796 -2.693 1.00 6.91 C ATOM 118 CG LYS A 12 -13.071 -2.547 -3.269 1.00 7.86 C ATOM 119 CD LYS A 12 -12.569 -3.744 -4.077 1.00 8.86 C ATOM 120 CE LYS A 12 -13.754 -4.490 -4.690 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.258 -5.415 -5.748 1.00 10.82 N ATOM 0 H LYS A 12 -12.911 0.227 -3.759 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.104 -0.936 -1.171 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.218 -1.461 -3.501 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.279 -2.464 -2.065 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.725 -2.883 -2.465 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.660 -1.885 -3.903 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -11.894 -3.406 -4.864 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -11.999 -4.415 -3.434 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.284 -5.050 -3.920 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.465 -3.781 -5.114 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.061 -5.925 -6.168 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -12.771 -4.868 -6.486 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -12.595 -6.098 -5.329 1.00 10.82 H new ATOM 135 N TRP A 13 -10.393 0.832 -1.811 1.00 4.15 N ATOM 136 CA TRP A 13 -9.225 1.469 -1.148 1.00 3.58 C ATOM 137 C TRP A 13 -9.729 2.287 0.032 1.00 2.38 C ATOM 138 O TRP A 13 -9.033 2.498 0.995 1.00 2.83 O ATOM 139 CB TRP A 13 -8.513 2.395 -2.136 1.00 4.70 C ATOM 140 CG TRP A 13 -8.134 1.638 -3.375 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.242 0.294 -3.547 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.592 2.162 -4.623 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.807 -0.030 -4.816 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.396 1.082 -5.517 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.254 3.455 -5.064 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.886 1.277 -6.798 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.739 3.654 -6.356 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.556 2.565 -7.221 1.00 6.26 C ATOM 0 H TRP A 13 -10.530 1.085 -2.790 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.527 0.704 -0.809 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.163 3.230 -2.396 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.622 2.817 -1.672 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.608 -0.406 -2.811 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.792 -0.979 -5.190 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.391 4.300 -4.405 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.747 0.436 -7.461 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.483 4.650 -6.685 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.160 2.723 -8.213 1.00 6.26 H new ATOM 159 N ALA A 14 -10.941 2.751 -0.034 1.00 0.01 N ATOM 160 CA ALA A 14 -11.491 3.549 1.092 1.00 0.01 C ATOM 161 C ALA A 14 -12.034 2.596 2.165 1.00 0.01 C ATOM 162 O ALA A 14 -12.387 3.008 3.252 1.00 0.01 O ATOM 163 CB ALA A 14 -12.616 4.449 0.568 1.00 0.00 C ATOM 0 H ALA A 14 -11.576 2.612 -0.820 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.709 4.171 1.528 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.024 5.037 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.221 5.118 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.405 3.832 0.137 1.00 0.00 H new ATOM 169 N GLU A 15 -12.113 1.324 1.863 1.00 0.01 N ATOM 170 CA GLU A 15 -12.648 0.344 2.859 1.00 0.01 C ATOM 171 C GLU A 15 -11.535 -0.128 3.804 1.00 0.01 C ATOM 172 O GLU A 15 -11.760 -0.317 4.983 1.00 0.01 O ATOM 173 CB GLU A 15 -13.218 -0.872 2.128 1.00 0.01 C ATOM 174 CG GLU A 15 -14.479 -0.472 1.359 1.00 0.01 C ATOM 175 CD GLU A 15 -14.948 -1.657 0.514 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.294 -2.686 0.558 1.00 0.01 O ATOM 177 OE2 GLU A 15 -15.948 -1.514 -0.169 1.00 0.01 O ATOM 0 H GLU A 15 -11.830 0.921 0.970 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.428 0.836 3.439 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.475 -1.276 1.440 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.452 -1.661 2.843 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.264 -0.172 2.054 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.273 0.387 0.720 1.00 0.01 H new ATOM 184 N SER A 16 -10.344 -0.335 3.305 1.00 0.01 N ATOM 185 CA SER A 16 -9.245 -0.812 4.198 1.00 0.01 C ATOM 186 C SER A 16 -7.901 -0.762 3.464 1.00 0.00 C ATOM 187 O SER A 16 -7.831 -0.885 2.258 1.00 0.00 O ATOM 188 CB SER A 16 -9.530 -2.253 4.627 1.00 0.01 C ATOM 189 OG SER A 16 -9.837 -3.032 3.478 1.00 0.01 O ATOM 0 H SER A 16 -10.086 -0.196 2.328 1.00 0.01 H new ATOM 0 HA SER A 16 -9.196 -0.164 5.073 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.664 -2.669 5.142 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.362 -2.278 5.330 1.00 0.01 H new ATOM 0 HG SER A 16 -9.834 -2.458 2.684 1.00 0.01 H new ATOM 195 N LEU A 17 -6.835 -0.590 4.202 1.00 0.00 N ATOM 196 CA LEU A 17 -5.474 -0.519 3.593 1.00 0.00 C ATOM 197 C LEU A 17 -5.159 -1.816 2.844 1.00 0.01 C ATOM 198 O LEU A 17 -4.608 -1.800 1.762 1.00 0.00 O ATOM 199 CB LEU A 17 -4.468 -0.300 4.728 1.00 0.01 C ATOM 200 CG LEU A 17 -3.033 -0.236 4.191 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.893 0.916 3.185 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.079 -0.005 5.374 1.00 0.00 C ATOM 0 H LEU A 17 -6.851 -0.494 5.217 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.420 0.300 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.704 0.625 5.254 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.552 -1.109 5.453 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.789 -1.170 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.870 0.950 2.811 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.578 0.757 2.352 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.132 1.859 3.676 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.053 0.043 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.333 0.933 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.174 -0.827 6.084 1.00 0.00 H new ATOM 214 N GLU A 18 -5.512 -2.932 3.402 1.00 0.01 N ATOM 215 CA GLU A 18 -5.244 -4.228 2.725 1.00 0.00 C ATOM 216 C GLU A 18 -5.761 -4.168 1.278 1.00 0.00 C ATOM 217 O GLU A 18 -5.151 -4.698 0.370 1.00 0.01 O ATOM 218 CB GLU A 18 -5.967 -5.324 3.506 1.00 0.01 C ATOM 219 CG GLU A 18 -5.386 -5.374 4.921 1.00 0.01 C ATOM 220 CD GLU A 18 -6.104 -6.444 5.744 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.104 -6.955 5.270 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.641 -6.730 6.835 1.00 0.01 O ATOM 0 H GLU A 18 -5.979 -3.006 4.306 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.175 -4.437 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.037 -5.120 3.543 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.843 -6.287 3.011 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.319 -5.592 4.877 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.493 -4.401 5.401 1.00 0.01 H new ATOM 229 N ASN A 19 -6.878 -3.524 1.052 1.00 0.01 N ATOM 230 CA ASN A 19 -7.428 -3.429 -0.339 1.00 0.00 C ATOM 231 C ASN A 19 -6.508 -2.584 -1.239 1.00 0.00 C ATOM 232 O ASN A 19 -6.261 -2.927 -2.379 1.00 0.01 O ATOM 233 CB ASN A 19 -8.817 -2.779 -0.291 1.00 0.01 C ATOM 234 CG ASN A 19 -9.847 -3.793 0.215 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.719 -3.457 0.990 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.784 -5.028 -0.202 1.00 0.01 N ATOM 0 H ASN A 19 -7.435 -3.059 1.769 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.494 -4.435 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.799 -1.908 0.364 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.098 -2.426 -1.283 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.468 -5.712 0.123 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.051 -5.310 -0.853 1.00 0.01 H new ATOM 243 N LEU A 20 -6.009 -1.481 -0.745 1.00 0.00 N ATOM 244 CA LEU A 20 -5.122 -0.618 -1.586 1.00 0.01 C ATOM 245 C LEU A 20 -3.891 -1.410 -2.020 1.00 0.01 C ATOM 246 O LEU A 20 -3.450 -1.325 -3.148 1.00 0.00 O ATOM 247 CB LEU A 20 -4.684 0.605 -0.765 1.00 0.00 C ATOM 248 CG LEU A 20 -3.763 1.528 -1.586 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.504 2.082 -2.810 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.316 2.696 -0.699 1.00 0.01 C ATOM 0 H LEU A 20 -6.176 -1.140 0.202 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.666 -0.291 -2.472 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.563 1.161 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.164 0.275 0.134 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.901 0.956 -1.929 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.836 2.731 -3.376 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.830 1.256 -3.442 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.373 2.653 -2.482 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.663 3.357 -1.269 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.191 3.252 -0.362 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.776 2.310 0.166 1.00 0.01 H new ATOM 262 N ILE A 21 -3.325 -2.170 -1.131 1.00 0.01 N ATOM 263 CA ILE A 21 -2.115 -2.962 -1.487 1.00 0.00 C ATOM 264 C ILE A 21 -2.516 -4.284 -2.160 1.00 0.00 C ATOM 265 O ILE A 21 -1.706 -4.925 -2.798 1.00 0.00 O ATOM 266 CB ILE A 21 -1.314 -3.237 -0.211 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.179 -4.014 0.781 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.907 -1.907 0.430 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.317 -4.490 1.948 1.00 0.01 C ATOM 0 H ILE A 21 -3.647 -2.279 -0.169 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.504 -2.398 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.427 -3.818 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.988 -3.382 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.641 -4.868 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.337 -2.100 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.294 -1.339 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.801 -1.334 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.935 -5.044 2.655 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.524 -5.138 1.574 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.876 -3.629 2.449 1.00 0.01 H new ATOM 281 N ASN A 22 -3.749 -4.709 -2.016 1.00 0.00 N ATOM 282 CA ASN A 22 -4.171 -6.002 -2.649 1.00 0.01 C ATOM 283 C ASN A 22 -4.768 -5.740 -4.026 1.00 0.01 C ATOM 284 O ASN A 22 -5.135 -6.656 -4.735 1.00 0.01 O ATOM 285 CB ASN A 22 -5.213 -6.703 -1.775 1.00 0.01 C ATOM 286 CG ASN A 22 -4.562 -7.136 -0.462 1.00 0.01 C ATOM 287 OD1 ASN A 22 -5.182 -7.096 0.580 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.325 -7.552 -0.472 1.00 0.01 N ATOM 0 H ASN A 22 -4.477 -4.222 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.293 -6.640 -2.748 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.048 -6.032 -1.576 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.618 -7.570 -2.297 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.878 -7.844 0.397 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.805 -7.585 -1.349 1.00 0.01 H new ATOM 295 N HIS A 23 -4.866 -4.501 -4.422 1.00 0.01 N ATOM 296 CA HIS A 23 -5.432 -4.197 -5.765 1.00 0.01 C ATOM 297 C HIS A 23 -4.284 -4.085 -6.768 1.00 0.01 C ATOM 298 O HIS A 23 -3.251 -3.510 -6.486 1.00 0.01 O ATOM 299 CB HIS A 23 -6.201 -2.875 -5.715 1.00 0.00 C ATOM 300 CG HIS A 23 -7.053 -2.751 -6.945 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.631 -2.068 -8.074 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.301 -3.234 -7.241 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.611 -2.160 -8.990 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.651 -2.861 -8.532 1.00 0.01 N ATOM 0 H HIS A 23 -4.580 -3.689 -3.875 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.114 -4.992 -6.067 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.824 -2.837 -4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.505 -2.038 -5.654 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -5.740 -1.584 -8.189 1.00 0.01 H new ATOM 0 HD2 HIS A 23 -8.918 -3.816 -6.572 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.563 -1.721 -9.975 1.00 0.01 H new ATOM 312 N GLU A 24 -4.461 -4.631 -7.934 1.00 0.01 N ATOM 313 CA GLU A 24 -3.390 -4.570 -8.964 1.00 0.01 C ATOM 314 C GLU A 24 -3.080 -3.114 -9.291 1.00 0.01 C ATOM 315 O GLU A 24 -1.938 -2.738 -9.476 1.00 0.01 O ATOM 316 CB GLU A 24 -3.874 -5.298 -10.222 1.00 0.01 C ATOM 317 CG GLU A 24 -2.799 -5.235 -11.307 1.00 0.01 C ATOM 318 CD GLU A 24 -3.180 -6.181 -12.447 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.152 -6.903 -12.287 1.00 0.00 O ATOM 320 OE2 GLU A 24 -2.497 -6.170 -13.456 1.00 0.01 O ATOM 0 H GLU A 24 -5.308 -5.121 -8.221 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.484 -5.048 -8.591 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.104 -6.337 -9.986 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.796 -4.842 -10.584 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.702 -4.216 -11.681 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.831 -5.516 -10.893 1.00 0.01 H new ATOM 327 N CYS A 25 -4.082 -2.286 -9.358 1.00 0.01 N ATOM 328 CA CYS A 25 -3.835 -0.854 -9.671 1.00 0.01 C ATOM 329 C CYS A 25 -3.461 -0.119 -8.383 1.00 0.01 C ATOM 330 O CYS A 25 -2.677 0.809 -8.399 1.00 0.00 O ATOM 331 CB CYS A 25 -5.099 -0.243 -10.273 1.00 0.01 C ATOM 332 SG CYS A 25 -4.722 1.404 -10.914 1.00 0.00 S ATOM 0 H CYS A 25 -5.059 -2.538 -9.210 1.00 0.01 H new ATOM 0 HA CYS A 25 -3.019 -0.764 -10.388 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.478 -0.879 -11.073 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.882 -0.181 -9.517 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.796 1.926 -11.429 1.00 0.00 H new ATOM 338 N GLY A 26 -3.982 -0.538 -7.261 1.00 0.01 N ATOM 339 CA GLY A 26 -3.605 0.134 -5.987 1.00 0.01 C ATOM 340 C GLY A 26 -2.098 -0.020 -5.811 1.00 0.01 C ATOM 341 O GLY A 26 -1.397 0.922 -5.529 1.00 0.01 O ATOM 0 H GLY A 26 -4.645 -1.308 -7.173 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.881 1.188 -6.014 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.136 -0.313 -5.147 1.00 0.01 H new ATOM 345 N LEU A 27 -1.597 -1.212 -5.998 1.00 0.01 N ATOM 346 CA LEU A 27 -0.130 -1.438 -5.875 1.00 0.00 C ATOM 347 C LEU A 27 0.597 -0.561 -6.895 1.00 0.00 C ATOM 348 O LEU A 27 1.546 0.127 -6.574 1.00 0.00 O ATOM 349 CB LEU A 27 0.175 -2.912 -6.149 1.00 0.00 C ATOM 350 CG LEU A 27 -0.281 -3.777 -4.961 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.395 -5.237 -5.411 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.732 -3.680 -3.803 1.00 0.01 C ATOM 0 H LEU A 27 -2.144 -2.041 -6.231 1.00 0.01 H new ATOM 0 HA LEU A 27 0.205 -1.180 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.333 -3.233 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.244 -3.045 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.249 -3.416 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.718 -5.852 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.124 -5.313 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.575 -5.586 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.394 -4.298 -2.971 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.707 -4.030 -4.142 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.812 -2.643 -3.476 1.00 0.01 H new ATOM 364 N ALA A 28 0.154 -0.576 -8.126 1.00 0.00 N ATOM 365 CA ALA A 28 0.816 0.265 -9.163 1.00 0.00 C ATOM 366 C ALA A 28 0.720 1.727 -8.739 1.00 0.01 C ATOM 367 O ALA A 28 1.687 2.461 -8.758 1.00 0.00 O ATOM 368 CB ALA A 28 0.106 0.075 -10.508 1.00 0.00 C ATOM 0 H ALA A 28 -0.635 -1.133 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 28 1.861 -0.026 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.591 0.691 -11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.160 -0.973 -10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.938 0.372 -10.413 1.00 0.00 H new ATOM 374 N ALA A 29 -0.449 2.147 -8.351 1.00 0.00 N ATOM 375 CA ALA A 29 -0.635 3.557 -7.918 1.00 0.01 C ATOM 376 C ALA A 29 0.085 3.786 -6.582 1.00 0.00 C ATOM 377 O ALA A 29 0.718 4.801 -6.375 1.00 0.00 O ATOM 378 CB ALA A 29 -2.131 3.830 -7.747 1.00 0.01 C ATOM 0 H ALA A 29 -1.289 1.570 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.219 4.230 -8.667 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.279 4.862 -7.429 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.642 3.666 -8.696 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.540 3.157 -6.994 1.00 0.01 H new ATOM 384 N PHE A 30 -0.019 2.853 -5.674 1.00 0.00 N ATOM 385 CA PHE A 30 0.645 3.010 -4.347 1.00 0.00 C ATOM 386 C PHE A 30 2.164 3.075 -4.520 1.00 0.00 C ATOM 387 O PHE A 30 2.817 3.937 -3.968 1.00 0.00 O ATOM 388 CB PHE A 30 0.270 1.834 -3.437 1.00 0.00 C ATOM 389 CG PHE A 30 0.818 2.066 -2.039 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.367 3.152 -1.274 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.771 1.189 -1.504 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.868 3.359 0.018 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.272 1.398 -0.213 1.00 0.00 C ATOM 394 CZ PHE A 30 1.821 2.482 0.547 1.00 0.00 C ATOM 0 H PHE A 30 -0.538 1.984 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 30 0.306 3.939 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.814 1.724 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.670 0.906 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.368 3.830 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.120 0.350 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.519 4.195 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.008 0.721 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.208 2.642 1.542 1.00 0.00 H new ATOM 404 N LYS A 31 2.742 2.184 -5.284 1.00 0.00 N ATOM 405 CA LYS A 31 4.222 2.228 -5.467 1.00 0.00 C ATOM 406 C LYS A 31 4.616 3.568 -6.082 1.00 0.00 C ATOM 407 O LYS A 31 5.585 4.183 -5.682 1.00 0.00 O ATOM 408 CB LYS A 31 4.676 1.108 -6.406 1.00 0.00 C ATOM 409 CG LYS A 31 4.566 -0.247 -5.709 1.00 0.00 C ATOM 410 CD LYS A 31 5.027 -1.338 -6.678 1.00 0.00 C ATOM 411 CE LYS A 31 4.949 -2.703 -5.998 1.00 0.01 C ATOM 412 NZ LYS A 31 3.534 -3.008 -5.652 1.00 0.00 N ATOM 0 H LYS A 31 2.259 1.437 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 31 4.698 2.101 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.065 1.111 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.706 1.281 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.179 -0.259 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.537 -0.429 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.403 -1.331 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.049 -1.141 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.346 -3.473 -6.659 1.00 0.01 H new ATOM 0 HE3 LYS A 31 5.563 -2.708 -5.098 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.417 -2.987 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.910 -2.298 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.285 -3.952 -6.009 1.00 0.00 H new ATOM 426 N ALA A 32 3.871 4.034 -7.040 1.00 0.00 N ATOM 427 CA ALA A 32 4.210 5.340 -7.659 1.00 0.00 C ATOM 428 C ALA A 32 3.964 6.439 -6.628 1.00 0.01 C ATOM 429 O ALA A 32 4.722 7.380 -6.510 1.00 0.00 O ATOM 430 CB ALA A 32 3.328 5.575 -8.888 1.00 0.00 C ATOM 0 H ALA A 32 3.046 3.570 -7.420 1.00 0.00 H new ATOM 0 HA ALA A 32 5.254 5.347 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.580 6.535 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.495 4.778 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.280 5.579 -8.588 1.00 0.00 H new ATOM 436 N PHE A 33 2.904 6.319 -5.878 1.00 0.00 N ATOM 437 CA PHE A 33 2.597 7.347 -4.849 1.00 0.00 C ATOM 438 C PHE A 33 3.743 7.433 -3.841 1.00 0.00 C ATOM 439 O PHE A 33 4.148 8.502 -3.439 1.00 0.00 O ATOM 440 CB PHE A 33 1.314 6.970 -4.116 1.00 0.00 C ATOM 441 CG PHE A 33 0.952 8.079 -3.160 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.457 9.286 -3.663 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.112 7.907 -1.778 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.120 10.322 -2.790 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.775 8.947 -0.904 1.00 0.00 C ATOM 446 CZ PHE A 33 0.279 10.153 -1.411 1.00 0.00 C ATOM 0 H PHE A 33 2.236 5.550 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 33 2.471 8.313 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.506 6.809 -4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.451 6.035 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.335 9.417 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.494 6.975 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.263 11.254 -3.179 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.898 8.819 0.161 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.018 10.955 -0.736 1.00 0.00 H new ATOM 456 N LEU A 34 4.261 6.318 -3.418 1.00 0.00 N ATOM 457 CA LEU A 34 5.371 6.358 -2.428 1.00 0.00 C ATOM 458 C LEU A 34 6.578 7.051 -3.053 1.00 0.00 C ATOM 459 O LEU A 34 7.246 7.840 -2.419 1.00 0.00 O ATOM 460 CB LEU A 34 5.748 4.933 -2.028 1.00 0.00 C ATOM 461 CG LEU A 34 4.575 4.260 -1.294 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.818 2.735 -1.198 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.416 4.858 0.118 1.00 0.00 C ATOM 0 H LEU A 34 3.968 5.386 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 34 5.053 6.909 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.011 4.356 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.628 4.949 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 34 3.659 4.440 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.983 2.266 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.902 2.316 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.740 2.547 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.583 4.373 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.332 4.697 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.221 5.928 0.040 1.00 0.00 H new ATOM 475 N LYS A 35 6.853 6.779 -4.296 1.00 0.00 N ATOM 476 CA LYS A 35 8.004 7.448 -4.952 1.00 0.00 C ATOM 477 C LYS A 35 7.750 8.952 -4.913 1.00 0.01 C ATOM 478 O LYS A 35 8.638 9.742 -4.658 1.00 0.00 O ATOM 479 CB LYS A 35 8.134 6.958 -6.393 1.00 0.00 C ATOM 480 CG LYS A 35 8.567 5.491 -6.372 1.00 0.00 C ATOM 481 CD LYS A 35 8.707 4.968 -7.801 1.00 0.00 C ATOM 482 CE LYS A 35 9.139 3.501 -7.765 1.00 0.00 C ATOM 483 NZ LYS A 35 8.030 2.668 -7.214 1.00 0.01 N ATOM 0 H LYS A 35 6.333 6.126 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 35 8.935 7.215 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.184 7.065 -6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.864 7.560 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.516 5.391 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.835 4.895 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.759 5.067 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.441 5.561 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.398 3.163 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.032 3.389 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.775 1.930 -7.901 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 8.339 2.222 -6.326 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.202 3.270 -7.030 1.00 0.01 H new ATOM 497 N SER A 36 6.526 9.348 -5.139 1.00 0.00 N ATOM 498 CA SER A 36 6.188 10.794 -5.088 1.00 0.00 C ATOM 499 C SER A 36 6.505 11.302 -3.683 1.00 0.00 C ATOM 500 O SER A 36 6.906 12.433 -3.488 1.00 0.00 O ATOM 501 CB SER A 36 4.696 10.984 -5.373 1.00 0.00 C ATOM 502 OG SER A 36 4.378 10.400 -6.628 1.00 0.00 O ATOM 0 H SER A 36 5.746 8.728 -5.357 1.00 0.00 H new ATOM 0 HA SER A 36 6.763 11.344 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.102 10.523 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.448 12.045 -5.380 1.00 0.00 H new ATOM 0 HG SER A 36 4.370 9.424 -6.542 1.00 0.00 H new ATOM 508 N GLU A 37 6.322 10.458 -2.699 1.00 0.00 N ATOM 509 CA GLU A 37 6.598 10.853 -1.284 1.00 0.00 C ATOM 510 C GLU A 37 7.949 10.291 -0.839 1.00 0.00 C ATOM 511 O GLU A 37 8.332 10.418 0.305 1.00 0.00 O ATOM 512 CB GLU A 37 5.504 10.282 -0.385 1.00 0.00 C ATOM 513 CG GLU A 37 4.205 11.051 -0.605 1.00 0.00 C ATOM 514 CD GLU A 37 3.119 10.470 0.300 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.361 9.428 0.886 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.066 11.075 0.389 1.00 0.00 O ATOM 0 H GLU A 37 5.989 9.501 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 37 6.617 11.940 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.354 9.225 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.806 10.350 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.352 12.108 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.900 10.983 -1.649 1.00 0.00 H new ATOM 523 N TYR A 38 8.671 9.676 -1.735 1.00 0.00 N ATOM 524 CA TYR A 38 10.007 9.111 -1.379 1.00 0.00 C ATOM 525 C TYR A 38 9.870 8.120 -0.224 1.00 0.00 C ATOM 526 O TYR A 38 10.805 7.883 0.515 1.00 0.00 O ATOM 527 CB TYR A 38 10.950 10.251 -0.981 1.00 0.00 C ATOM 528 CG TYR A 38 11.048 11.224 -2.132 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.601 10.807 -3.349 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.576 12.536 -1.990 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.683 11.700 -4.421 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.658 13.429 -3.065 1.00 0.00 C ATOM 533 CZ TYR A 38 11.213 13.009 -4.280 1.00 0.01 C ATOM 534 OH TYR A 38 11.290 13.887 -5.342 1.00 0.00 O ATOM 0 H TYR A 38 8.392 9.539 -2.706 1.00 0.00 H new ATOM 0 HA TYR A 38 10.416 8.585 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.577 10.756 -0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.936 9.857 -0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.964 9.796 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.149 12.858 -1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.110 11.378 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.294 14.440 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 38 10.919 14.754 -5.077 1.00 0.00 H new ATOM 544 N SER A 39 8.717 7.527 -0.076 1.00 0.00 N ATOM 545 CA SER A 39 8.504 6.531 1.018 1.00 0.00 C ATOM 546 C SER A 39 8.541 5.126 0.413 1.00 0.00 C ATOM 547 O SER A 39 7.910 4.208 0.901 1.00 0.00 O ATOM 548 CB SER A 39 7.146 6.784 1.676 1.00 0.00 C ATOM 549 OG SER A 39 6.204 7.151 0.676 1.00 0.00 O ATOM 0 H SER A 39 7.905 7.690 -0.671 1.00 0.00 H new ATOM 0 HA SER A 39 9.285 6.625 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.809 5.889 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.231 7.575 2.421 1.00 0.00 H new ATOM 0 HG SER A 39 5.380 7.466 1.103 1.00 0.00 H new ATOM 555 N GLU A 40 9.274 4.956 -0.656 1.00 0.00 N ATOM 556 CA GLU A 40 9.353 3.621 -1.308 1.00 0.00 C ATOM 557 C GLU A 40 9.990 2.618 -0.348 1.00 0.00 C ATOM 558 O GLU A 40 9.818 1.423 -0.464 1.00 0.00 O ATOM 559 CB GLU A 40 10.203 3.727 -2.576 1.00 0.00 C ATOM 560 CG GLU A 40 11.611 4.209 -2.213 1.00 0.00 C ATOM 561 CD GLU A 40 12.436 4.369 -3.490 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.970 3.935 -4.530 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.518 4.926 -3.406 1.00 0.00 O ATOM 0 H GLU A 40 9.823 5.689 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 40 8.350 3.283 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.256 2.758 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.741 4.420 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.557 5.158 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.091 3.495 -1.544 1.00 0.00 H new ATOM 570 N GLU A 41 10.725 3.096 0.606 1.00 0.00 N ATOM 571 CA GLU A 41 11.363 2.173 1.576 1.00 0.00 C ATOM 572 C GLU A 41 10.270 1.416 2.332 1.00 0.00 C ATOM 573 O GLU A 41 10.429 0.268 2.693 1.00 0.00 O ATOM 574 CB GLU A 41 12.208 2.990 2.550 1.00 0.00 C ATOM 575 CG GLU A 41 11.315 3.986 3.292 1.00 0.00 C ATOM 576 CD GLU A 41 12.183 4.874 4.178 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.352 4.565 4.322 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.665 5.851 4.694 1.00 0.00 O ATOM 0 H GLU A 41 10.913 4.087 0.758 1.00 0.00 H new ATOM 0 HA GLU A 41 12.002 1.457 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.702 2.329 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.992 3.521 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.759 4.595 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.581 3.454 3.897 1.00 0.00 H new ATOM 585 N ASN A 42 9.158 2.058 2.575 1.00 0.00 N ATOM 586 CA ASN A 42 8.049 1.383 3.308 1.00 0.00 C ATOM 587 C ASN A 42 7.582 0.144 2.536 1.00 0.00 C ATOM 588 O ASN A 42 7.403 -0.915 3.105 1.00 0.00 O ATOM 589 CB ASN A 42 6.870 2.347 3.458 1.00 0.00 C ATOM 590 CG ASN A 42 7.230 3.463 4.443 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.115 3.307 5.262 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.574 4.590 4.396 1.00 0.00 N ATOM 0 H ASN A 42 8.970 3.021 2.297 1.00 0.00 H new ATOM 0 HA ASN A 42 8.412 1.083 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.613 2.775 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.991 1.808 3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.803 5.341 5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.832 4.720 3.709 1.00 0.00 H new ATOM 599 N ILE A 43 7.369 0.263 1.248 1.00 0.00 N ATOM 600 CA ILE A 43 6.898 -0.920 0.470 1.00 0.00 C ATOM 601 C ILE A 43 8.020 -1.962 0.363 1.00 0.00 C ATOM 602 O ILE A 43 7.780 -3.146 0.484 1.00 0.00 O ATOM 603 CB ILE A 43 6.382 -0.486 -0.920 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.797 -1.695 -1.669 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.497 0.133 -1.761 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.499 -2.171 -0.999 1.00 0.00 C ATOM 0 H ILE A 43 7.500 1.119 0.709 1.00 0.00 H new ATOM 0 HA ILE A 43 6.063 -1.383 0.995 1.00 0.00 H new ATOM 0 HB ILE A 43 5.607 0.264 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.599 -1.426 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.524 -2.507 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.100 0.427 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.893 1.011 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.295 -0.596 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.101 -3.027 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.706 -2.461 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.767 -1.363 -1.008 1.00 0.00 H new ATOM 618 N ASP A 44 9.244 -1.545 0.162 1.00 0.00 N ATOM 619 CA ASP A 44 10.344 -2.547 0.083 1.00 0.00 C ATOM 620 C ASP A 44 10.389 -3.289 1.412 1.00 0.00 C ATOM 621 O ASP A 44 10.533 -4.493 1.468 1.00 0.00 O ATOM 622 CB ASP A 44 11.680 -1.839 -0.158 1.00 0.00 C ATOM 623 CG ASP A 44 11.714 -1.272 -1.577 1.00 0.00 C ATOM 624 OD1 ASP A 44 11.011 -1.803 -2.422 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.446 -0.322 -1.797 1.00 0.00 O ATOM 0 H ASP A 44 9.525 -0.571 0.051 1.00 0.00 H new ATOM 0 HA ASP A 44 10.169 -3.240 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.814 -1.037 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.504 -2.538 -0.016 1.00 0.00 H new ATOM 630 N PHE A 45 10.237 -2.566 2.488 1.00 0.00 N ATOM 631 CA PHE A 45 10.234 -3.204 3.828 1.00 0.00 C ATOM 632 C PHE A 45 9.026 -4.136 3.907 1.00 0.00 C ATOM 633 O PHE A 45 9.099 -5.232 4.426 1.00 0.00 O ATOM 634 CB PHE A 45 10.124 -2.112 4.898 1.00 0.00 C ATOM 635 CG PHE A 45 10.228 -2.719 6.277 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.486 -2.924 6.853 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.068 -3.071 6.984 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.590 -3.482 8.132 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.174 -3.628 8.265 1.00 0.00 C ATOM 640 CZ PHE A 45 10.435 -3.833 8.838 1.00 0.00 C ATOM 0 H PHE A 45 10.114 -1.553 2.493 1.00 0.00 H new ATOM 0 HA PHE A 45 11.151 -3.771 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.914 -1.374 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.175 -1.586 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.379 -2.651 6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.096 -2.913 6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.562 -3.642 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.283 -3.899 8.811 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.516 -4.262 9.826 1.00 0.00 H new ATOM 650 N TRP A 46 7.912 -3.700 3.383 1.00 0.00 N ATOM 651 CA TRP A 46 6.683 -4.541 3.407 1.00 0.00 C ATOM 652 C TRP A 46 6.928 -5.829 2.619 1.00 0.00 C ATOM 653 O TRP A 46 6.551 -6.900 3.038 1.00 0.00 O ATOM 654 CB TRP A 46 5.533 -3.767 2.765 1.00 0.00 C ATOM 655 CG TRP A 46 4.278 -4.586 2.783 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.451 -4.709 3.845 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.687 -5.380 1.710 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.389 -5.526 3.496 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.490 -5.963 2.192 1.00 0.00 C ATOM 660 CE3 TRP A 46 4.065 -5.648 0.383 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.696 -6.782 1.385 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.269 -6.472 -0.432 1.00 0.00 C ATOM 663 CH2 TRP A 46 2.087 -7.037 0.067 1.00 0.00 C ATOM 0 H TRP A 46 7.801 -2.790 2.936 1.00 0.00 H new ATOM 0 HA TRP A 46 6.431 -4.789 4.438 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.372 -2.831 3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.790 -3.506 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.595 -4.245 4.810 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.626 -5.774 4.126 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.973 -5.218 -0.013 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.787 -7.215 1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.570 -6.671 -1.450 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.480 -7.668 -0.565 1.00 0.00 H new ATOM 674 N ILE A 47 7.555 -5.736 1.475 1.00 0.00 N ATOM 675 CA ILE A 47 7.803 -6.967 0.673 1.00 0.00 C ATOM 676 C ILE A 47 8.654 -7.933 1.493 1.00 0.00 C ATOM 677 O ILE A 47 8.400 -9.119 1.529 1.00 0.00 O ATOM 678 CB ILE A 47 8.536 -6.609 -0.626 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.606 -5.785 -1.521 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.939 -7.893 -1.359 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.393 -5.220 -2.708 1.00 0.00 C ATOM 0 H ILE A 47 7.903 -4.869 1.066 1.00 0.00 H new ATOM 0 HA ILE A 47 6.851 -7.435 0.422 1.00 0.00 H new ATOM 0 HB ILE A 47 9.429 -6.030 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.786 -6.407 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.161 -4.972 -0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.460 -7.637 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.598 -8.484 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.047 -8.473 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.726 -4.635 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.197 -4.582 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.816 -6.040 -3.288 1.00 0.00 H new ATOM 693 N SER A 48 9.657 -7.439 2.159 1.00 0.00 N ATOM 694 CA SER A 48 10.508 -8.339 2.977 1.00 0.00 C ATOM 695 C SER A 48 9.679 -8.891 4.138 1.00 0.00 C ATOM 696 O SER A 48 9.784 -10.047 4.495 1.00 0.00 O ATOM 697 CB SER A 48 11.697 -7.557 3.530 1.00 0.00 C ATOM 698 OG SER A 48 11.240 -6.653 4.528 1.00 0.00 O ATOM 0 H SER A 48 9.923 -6.454 2.172 1.00 0.00 H new ATOM 0 HA SER A 48 10.873 -9.160 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.433 -8.241 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.193 -7.011 2.728 1.00 0.00 H new ATOM 0 HG SER A 48 10.463 -6.160 4.192 1.00 0.00 H new ATOM 704 N CYS A 49 8.854 -8.070 4.731 1.00 0.00 N ATOM 705 CA CYS A 49 8.019 -8.545 5.870 1.00 0.00 C ATOM 706 C CYS A 49 7.015 -9.587 5.379 1.00 0.00 C ATOM 707 O CYS A 49 6.765 -10.576 6.040 1.00 0.01 O ATOM 708 CB CYS A 49 7.269 -7.364 6.480 1.00 0.00 C ATOM 709 SG CYS A 49 8.442 -6.320 7.375 1.00 0.01 S ATOM 0 H CYS A 49 8.723 -7.091 4.475 1.00 0.00 H new ATOM 0 HA CYS A 49 8.665 -8.996 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.773 -6.789 5.698 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.491 -7.720 7.155 1.00 0.00 H new ATOM 0 HG CYS A 49 8.168 -5.069 7.151 1.00 0.01 H new ATOM 715 N GLU A 50 6.440 -9.380 4.229 1.00 0.00 N ATOM 716 CA GLU A 50 5.456 -10.369 3.715 1.00 0.00 C ATOM 717 C GLU A 50 6.143 -11.723 3.577 1.00 0.01 C ATOM 718 O GLU A 50 5.651 -12.723 4.055 1.00 0.00 O ATOM 719 CB GLU A 50 4.937 -9.914 2.353 1.00 0.01 C ATOM 720 CG GLU A 50 4.021 -8.704 2.538 1.00 0.00 C ATOM 721 CD GLU A 50 2.719 -9.145 3.204 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.408 -10.322 3.132 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.052 -8.299 3.774 1.00 0.01 O ATOM 0 H GLU A 50 6.607 -8.574 3.626 1.00 0.00 H new ATOM 0 HA GLU A 50 4.617 -10.450 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.772 -9.656 1.701 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.393 -10.725 1.869 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.517 -7.950 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.810 -8.244 1.573 1.00 0.00 H new ATOM 730 N GLU A 51 7.293 -11.769 2.966 1.00 0.01 N ATOM 731 CA GLU A 51 7.989 -13.075 2.855 1.00 0.00 C ATOM 732 C GLU A 51 8.258 -13.577 4.269 1.00 0.01 C ATOM 733 O GLU A 51 8.108 -14.744 4.566 1.00 0.00 O ATOM 734 CB GLU A 51 9.316 -12.905 2.111 1.00 0.00 C ATOM 735 CG GLU A 51 9.044 -12.640 0.629 1.00 0.00 C ATOM 736 CD GLU A 51 10.375 -12.472 -0.107 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.387 -12.351 0.565 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.357 -12.460 -1.324 1.00 0.01 O ATOM 0 H GLU A 51 7.773 -10.973 2.546 1.00 0.01 H new ATOM 0 HA GLU A 51 7.373 -13.784 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.882 -12.078 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.925 -13.802 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.479 -13.466 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.436 -11.743 0.514 1.00 0.00 H new ATOM 745 N TYR A 52 8.632 -12.694 5.152 1.00 0.00 N ATOM 746 CA TYR A 52 8.890 -13.109 6.555 1.00 0.01 C ATOM 747 C TYR A 52 7.595 -13.687 7.134 1.00 0.01 C ATOM 748 O TYR A 52 7.604 -14.678 7.836 1.00 0.01 O ATOM 749 CB TYR A 52 9.327 -11.892 7.375 1.00 0.00 C ATOM 750 CG TYR A 52 9.885 -12.348 8.702 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.019 -12.678 9.748 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.271 -12.446 8.881 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.537 -13.103 10.976 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.789 -12.871 10.110 1.00 0.00 C ATOM 755 CZ TYR A 52 10.923 -13.200 11.158 1.00 0.01 C ATOM 756 OH TYR A 52 11.434 -13.621 12.370 1.00 0.01 O ATOM 0 H TYR A 52 8.770 -11.702 4.960 1.00 0.00 H new ATOM 0 HA TYR A 52 9.680 -13.859 6.588 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.080 -11.324 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.479 -11.226 7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.951 -12.605 9.608 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.940 -12.194 8.071 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.868 -13.357 11.785 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.857 -12.945 10.249 1.00 0.00 H new ATOM 0 HH TYR A 52 10.698 -13.879 12.964 1.00 0.01 H new ATOM 766 N LYS A 53 6.477 -13.070 6.839 1.00 0.01 N ATOM 767 CA LYS A 53 5.175 -13.581 7.364 1.00 0.01 C ATOM 768 C LYS A 53 4.727 -14.824 6.591 1.00 0.01 C ATOM 769 O LYS A 53 3.927 -15.600 7.074 1.00 0.01 O ATOM 770 CB LYS A 53 4.096 -12.503 7.245 1.00 0.01 C ATOM 771 CG LYS A 53 4.378 -11.382 8.244 1.00 0.00 C ATOM 772 CD LYS A 53 3.296 -10.309 8.119 1.00 0.00 C ATOM 773 CE LYS A 53 3.577 -9.191 9.120 1.00 0.01 C ATOM 774 NZ LYS A 53 4.948 -8.656 8.890 1.00 0.00 N ATOM 0 H LYS A 53 6.411 -12.235 6.257 1.00 0.01 H new ATOM 0 HA LYS A 53 5.317 -13.844 8.412 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.077 -12.104 6.231 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.114 -12.935 7.436 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.396 -11.780 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.360 -10.948 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.279 -9.909 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.314 -10.743 8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.841 -8.395 9.010 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.488 -9.569 10.139 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 4.939 -7.621 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.602 -9.067 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.262 -8.906 7.930 1.00 0.00 H new ATOM 788 N LYS A 54 5.223 -15.029 5.399 1.00 0.00 N ATOM 789 CA LYS A 54 4.798 -16.233 4.619 1.00 0.01 C ATOM 790 C LYS A 54 5.719 -17.411 4.944 1.00 0.01 C ATOM 791 O LYS A 54 5.355 -18.555 4.765 1.00 0.01 O ATOM 792 CB LYS A 54 4.873 -15.934 3.118 1.00 0.01 C ATOM 793 CG LYS A 54 3.771 -14.948 2.725 1.00 0.01 C ATOM 794 CD LYS A 54 3.862 -14.661 1.225 1.00 0.00 C ATOM 795 CE LYS A 54 2.763 -13.678 0.830 1.00 0.01 C ATOM 796 NZ LYS A 54 1.436 -14.316 1.055 1.00 0.01 N ATOM 0 H LYS A 54 5.898 -14.422 4.934 1.00 0.00 H new ATOM 0 HA LYS A 54 3.772 -16.485 4.889 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.850 -15.518 2.870 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.766 -16.858 2.549 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.793 -15.362 2.969 1.00 0.01 H new ATOM 0 HG3 LYS A 54 3.876 -14.023 3.291 1.00 0.01 H new ATOM 0 HD2 LYS A 54 4.840 -14.247 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.758 -15.587 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.846 -12.764 1.419 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.871 -13.394 -0.217 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 0.719 -13.843 0.468 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 1.486 -15.322 0.796 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 1.175 -14.229 2.058 1.00 0.01 H new ATOM 810 N ILE A 55 6.896 -17.149 5.445 1.00 0.01 N ATOM 811 CA ILE A 55 7.806 -18.273 5.802 1.00 0.01 C ATOM 812 C ILE A 55 7.279 -18.942 7.074 1.00 0.00 C ATOM 813 O ILE A 55 7.152 -18.318 8.108 1.00 0.01 O ATOM 814 CB ILE A 55 9.232 -17.750 6.036 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.863 -17.359 4.694 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.084 -18.841 6.692 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.140 -16.555 4.945 1.00 0.01 C ATOM 0 H ILE A 55 7.264 -16.214 5.621 1.00 0.01 H new ATOM 0 HA ILE A 55 7.836 -18.995 4.986 1.00 0.01 H new ATOM 0 HB ILE A 55 9.189 -16.879 6.690 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.092 -18.253 4.114 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.159 -16.769 4.107 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.094 -18.465 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.642 -19.122 7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.123 -19.714 6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.588 -16.277 3.991 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.898 -15.654 5.508 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.845 -17.160 5.515 1.00 0.01 H new ATOM 829 N LYS A 56 6.970 -20.208 7.006 1.00 0.01 N ATOM 830 CA LYS A 56 6.447 -20.923 8.207 1.00 0.01 C ATOM 831 C LYS A 56 7.600 -21.644 8.906 1.00 0.01 C ATOM 832 O LYS A 56 7.415 -22.325 9.894 1.00 0.01 O ATOM 833 CB LYS A 56 5.395 -21.936 7.763 1.00 0.01 C ATOM 834 CG LYS A 56 4.189 -21.187 7.189 1.00 0.01 C ATOM 835 CD LYS A 56 3.129 -22.194 6.740 1.00 0.00 C ATOM 836 CE LYS A 56 1.920 -21.452 6.164 1.00 0.00 C ATOM 837 NZ LYS A 56 1.371 -20.512 7.184 1.00 0.00 N ATOM 0 H LYS A 56 7.057 -20.781 6.167 1.00 0.01 H new ATOM 0 HA LYS A 56 5.997 -20.212 8.899 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.813 -22.607 7.013 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.087 -22.553 8.607 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.773 -20.516 7.940 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.499 -20.569 6.346 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.547 -22.865 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.820 -22.811 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.212 -20.902 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.153 -22.166 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.395 -20.256 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.378 -20.970 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.957 -19.653 7.216 1.00 0.00 H new ATOM 851 N SER A 57 8.792 -21.494 8.394 1.00 0.00 N ATOM 852 CA SER A 57 9.979 -22.158 9.015 1.00 0.01 C ATOM 853 C SER A 57 10.692 -21.153 9.944 1.00 0.01 C ATOM 854 O SER A 57 11.280 -20.208 9.460 1.00 0.00 O ATOM 855 CB SER A 57 10.952 -22.563 7.907 1.00 0.01 C ATOM 856 OG SER A 57 10.304 -23.454 7.012 1.00 0.01 O ATOM 0 H SER A 57 8.998 -20.936 7.565 1.00 0.00 H new ATOM 0 HA SER A 57 9.658 -23.032 9.581 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.298 -21.679 7.371 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.833 -23.039 8.338 1.00 0.01 H new ATOM 0 HG SER A 57 10.926 -23.713 6.300 1.00 0.01 H new ATOM 862 N PRO A 58 10.659 -21.320 11.257 1.00 0.00 N ATOM 863 CA PRO A 58 11.347 -20.342 12.148 1.00 0.01 C ATOM 864 C PRO A 58 12.876 -20.424 12.018 1.00 0.00 C ATOM 865 O PRO A 58 13.598 -19.617 12.567 1.00 0.00 O ATOM 866 CB PRO A 58 10.870 -20.770 13.551 1.00 0.01 C ATOM 867 CG PRO A 58 10.202 -22.154 13.431 1.00 0.01 C ATOM 868 CD PRO A 58 9.966 -22.453 11.938 1.00 0.01 C ATOM 0 HA PRO A 58 11.111 -19.305 11.909 1.00 0.01 H new ATOM 0 HB2 PRO A 58 11.712 -20.813 14.242 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.165 -20.041 13.952 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.836 -22.921 13.876 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.257 -22.167 13.974 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.386 -23.416 11.648 1.00 0.01 H new ATOM 0 HD3 PRO A 58 8.904 -22.482 11.695 1.00 0.01 H new ATOM 876 N SER A 59 13.366 -21.396 11.298 1.00 0.01 N ATOM 877 CA SER A 59 14.842 -21.540 11.132 1.00 0.01 C ATOM 878 C SER A 59 15.323 -20.713 9.934 1.00 0.01 C ATOM 879 O SER A 59 16.471 -20.323 9.864 1.00 0.01 O ATOM 880 CB SER A 59 15.180 -23.011 10.897 1.00 0.01 C ATOM 881 OG SER A 59 14.842 -23.359 9.561 1.00 0.01 O ATOM 0 H SER A 59 12.806 -22.099 10.816 1.00 0.01 H new ATOM 0 HA SER A 59 15.339 -21.182 12.034 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.241 -23.186 11.074 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.632 -23.639 11.599 1.00 0.01 H new ATOM 0 HG SER A 59 15.058 -24.302 9.404 1.00 0.01 H new ATOM 887 N LYS A 60 14.462 -20.443 8.984 1.00 0.00 N ATOM 888 CA LYS A 60 14.892 -19.642 7.794 1.00 0.00 C ATOM 889 C LYS A 60 14.707 -18.154 8.080 1.00 0.01 C ATOM 890 O LYS A 60 15.228 -17.308 7.381 1.00 0.01 O ATOM 891 CB LYS A 60 14.042 -20.020 6.577 1.00 0.01 C ATOM 892 CG LYS A 60 14.396 -21.436 6.111 1.00 0.01 C ATOM 893 CD LYS A 60 13.456 -21.867 4.972 1.00 0.01 C ATOM 894 CE LYS A 60 13.769 -21.078 3.693 1.00 0.01 C ATOM 895 NZ LYS A 60 13.106 -21.736 2.529 1.00 0.01 N ATOM 0 H LYS A 60 13.486 -20.740 8.980 1.00 0.00 H new ATOM 0 HA LYS A 60 15.942 -19.852 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.983 -19.966 6.831 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.213 -19.309 5.769 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.431 -21.467 5.771 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.313 -22.133 6.945 1.00 0.01 H new ATOM 0 HD2 LYS A 60 13.567 -22.935 4.785 1.00 0.01 H new ATOM 0 HD3 LYS A 60 12.419 -21.701 5.265 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.419 -20.050 3.792 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.847 -21.034 3.534 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.317 -21.202 1.662 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 13.461 -22.709 2.432 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.077 -21.756 2.681 1.00 0.01 H new ATOM 909 N LEU A 61 13.969 -17.824 9.101 1.00 0.01 N ATOM 910 CA LEU A 61 13.754 -16.388 9.427 1.00 0.01 C ATOM 911 C LEU A 61 15.087 -15.722 9.785 1.00 0.01 C ATOM 912 O LEU A 61 15.345 -14.595 9.414 1.00 0.01 O ATOM 913 CB LEU A 61 12.797 -16.275 10.618 1.00 0.01 C ATOM 914 CG LEU A 61 11.445 -16.919 10.273 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.510 -16.797 11.482 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.811 -16.217 9.055 1.00 0.01 C ATOM 0 H LEU A 61 13.506 -18.486 9.724 1.00 0.01 H new ATOM 0 HA LEU A 61 13.327 -15.887 8.558 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.230 -16.765 11.490 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.653 -15.227 10.880 1.00 0.01 H new ATOM 0 HG LEU A 61 11.600 -17.969 10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.548 -17.252 11.245 1.00 0.01 H new ATOM 0 HD12 LEU A 61 10.952 -17.308 12.337 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.364 -15.744 11.724 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.854 -16.684 8.823 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.654 -15.163 9.284 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.476 -16.307 8.196 1.00 0.01 H new ATOM 928 N SER A 62 15.932 -16.405 10.508 1.00 0.00 N ATOM 929 CA SER A 62 17.242 -15.806 10.903 1.00 0.01 C ATOM 930 C SER A 62 17.981 -15.218 9.680 1.00 0.01 C ATOM 931 O SER A 62 18.217 -14.028 9.628 1.00 0.01 O ATOM 932 CB SER A 62 18.098 -16.872 11.607 1.00 0.01 C ATOM 933 OG SER A 62 17.997 -16.692 13.013 1.00 0.01 O ATOM 0 H SER A 62 15.773 -17.355 10.844 1.00 0.00 H new ATOM 0 HA SER A 62 17.060 -14.982 11.593 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.759 -17.870 11.330 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.138 -16.789 11.291 1.00 0.01 H new ATOM 0 HG SER A 62 17.955 -17.567 13.453 1.00 0.01 H new ATOM 939 N PRO A 63 18.360 -16.023 8.708 1.00 0.00 N ATOM 940 CA PRO A 63 19.088 -15.501 7.518 1.00 0.00 C ATOM 941 C PRO A 63 18.584 -14.129 7.035 1.00 0.01 C ATOM 942 O PRO A 63 19.333 -13.173 6.980 1.00 0.00 O ATOM 943 CB PRO A 63 18.826 -16.601 6.476 1.00 0.01 C ATOM 944 CG PRO A 63 18.330 -17.860 7.221 1.00 0.01 C ATOM 945 CD PRO A 63 18.106 -17.491 8.704 1.00 0.01 C ATOM 0 HA PRO A 63 20.142 -15.314 7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.082 -16.270 5.752 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.736 -16.822 5.919 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.404 -18.224 6.776 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.061 -18.664 7.136 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.095 -17.730 9.034 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.791 -18.024 9.364 1.00 0.01 H new ATOM 953 N LYS A 64 17.336 -14.024 6.666 1.00 0.01 N ATOM 954 CA LYS A 64 16.825 -12.713 6.170 1.00 0.01 C ATOM 955 C LYS A 64 16.646 -11.730 7.325 1.00 0.00 C ATOM 956 O LYS A 64 16.630 -10.531 7.129 1.00 0.00 O ATOM 957 CB LYS A 64 15.486 -12.905 5.452 1.00 0.00 C ATOM 958 CG LYS A 64 14.478 -13.598 6.377 1.00 0.01 C ATOM 959 CD LYS A 64 13.060 -13.417 5.822 1.00 0.01 C ATOM 960 CE LYS A 64 13.017 -13.860 4.358 1.00 0.01 C ATOM 961 NZ LYS A 64 13.742 -15.152 4.209 1.00 0.00 N ATOM 0 H LYS A 64 16.653 -14.781 6.686 1.00 0.01 H new ATOM 0 HA LYS A 64 17.556 -12.307 5.471 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.094 -11.938 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.631 -13.501 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.714 -14.659 6.459 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.543 -13.178 7.381 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.352 -14.002 6.410 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.757 -12.373 5.905 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.983 -13.971 4.031 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.472 -13.100 3.723 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.334 -15.690 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.747 -14.966 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.652 -15.704 5.086 1.00 0.00 H new ATOM 975 N ALA A 65 16.496 -12.211 8.525 1.00 0.00 N ATOM 976 CA ALA A 65 16.304 -11.273 9.661 1.00 0.01 C ATOM 977 C ALA A 65 17.511 -10.337 9.759 1.00 0.01 C ATOM 978 O ALA A 65 17.369 -9.135 9.838 1.00 0.01 O ATOM 979 CB ALA A 65 16.161 -12.067 10.960 1.00 0.01 C ATOM 0 H ALA A 65 16.498 -13.202 8.767 1.00 0.00 H new ATOM 0 HA ALA A 65 15.402 -10.683 9.498 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.020 -11.379 11.793 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.299 -12.731 10.888 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.061 -12.658 11.126 1.00 0.01 H new ATOM 985 N LYS A 66 18.699 -10.877 9.755 1.00 0.01 N ATOM 986 CA LYS A 66 19.906 -10.009 9.849 1.00 0.00 C ATOM 987 C LYS A 66 20.000 -9.108 8.616 1.00 0.01 C ATOM 988 O LYS A 66 20.320 -7.940 8.710 1.00 0.01 O ATOM 989 CB LYS A 66 21.154 -10.884 9.912 1.00 0.01 C ATOM 990 CG LYS A 66 21.208 -11.612 11.253 1.00 0.01 C ATOM 991 CD LYS A 66 22.359 -12.621 11.234 1.00 0.01 C ATOM 992 CE LYS A 66 23.690 -11.893 10.995 1.00 0.00 C ATOM 993 NZ LYS A 66 23.904 -11.728 9.529 1.00 0.00 N ATOM 0 H LYS A 66 18.885 -11.878 9.691 1.00 0.01 H new ATOM 0 HA LYS A 66 19.831 -9.394 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.144 -11.606 9.096 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.046 -10.271 9.785 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.350 -10.896 12.063 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.264 -12.123 11.441 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.395 -13.162 12.180 1.00 0.01 H new ATOM 0 HD3 LYS A 66 22.193 -13.360 10.450 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.678 -10.919 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 66 24.512 -12.460 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 24.838 -12.105 9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.166 -12.245 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 23.857 -10.719 9.283 1.00 0.00 H new ATOM 1007 N LYS A 67 19.739 -9.650 7.459 1.00 0.00 N ATOM 1008 CA LYS A 67 19.828 -8.838 6.213 1.00 0.00 C ATOM 1009 C LYS A 67 18.751 -7.750 6.225 1.00 0.01 C ATOM 1010 O LYS A 67 19.015 -6.599 5.934 1.00 0.01 O ATOM 1011 CB LYS A 67 19.621 -9.761 5.014 1.00 0.00 C ATOM 1012 CG LYS A 67 20.835 -10.684 4.865 1.00 0.01 C ATOM 1013 CD LYS A 67 20.628 -11.610 3.665 1.00 0.00 C ATOM 1014 CE LYS A 67 21.852 -12.515 3.484 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.960 -13.463 4.630 1.00 0.01 N ATOM 0 H LYS A 67 19.467 -10.624 7.322 1.00 0.00 H new ATOM 0 HA LYS A 67 20.806 -8.361 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.715 -10.352 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.485 -9.172 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.740 -10.092 4.729 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.971 -11.272 5.772 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.735 -12.217 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.465 -11.020 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.769 -13.070 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.756 -11.909 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.622 -14.227 4.387 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.309 -12.956 5.468 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.024 -13.868 4.835 1.00 0.01 H new ATOM 1029 N ILE A 68 17.540 -8.102 6.567 1.00 0.01 N ATOM 1030 CA ILE A 68 16.451 -7.084 6.607 1.00 0.00 C ATOM 1031 C ILE A 68 16.758 -6.089 7.728 1.00 0.01 C ATOM 1032 O ILE A 68 16.645 -4.890 7.562 1.00 0.00 O ATOM 1033 CB ILE A 68 15.114 -7.790 6.869 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.764 -8.653 5.652 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.001 -6.761 7.100 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.531 -9.507 5.959 1.00 0.00 C ATOM 0 H ILE A 68 17.259 -9.049 6.820 1.00 0.01 H new ATOM 0 HA ILE A 68 16.386 -6.551 5.658 1.00 0.00 H new ATOM 0 HB ILE A 68 15.205 -8.411 7.760 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.572 -8.018 4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.607 -9.294 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.060 -7.279 7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.250 -6.143 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.901 -6.129 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.287 -10.119 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.739 -10.154 6.811 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.688 -8.857 6.194 1.00 0.00 H new ATOM 1048 N TYR A 69 17.159 -6.584 8.865 1.00 0.00 N ATOM 1049 CA TYR A 69 17.497 -5.690 10.003 1.00 0.01 C ATOM 1050 C TYR A 69 18.661 -4.779 9.602 1.00 0.00 C ATOM 1051 O TYR A 69 18.614 -3.577 9.770 1.00 0.01 O ATOM 1052 CB TYR A 69 17.900 -6.542 11.208 1.00 0.01 C ATOM 1053 CG TYR A 69 18.320 -5.642 12.342 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.654 -5.235 12.452 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.380 -5.215 13.283 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.045 -4.400 13.504 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.770 -4.379 14.335 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.103 -3.972 14.445 1.00 0.01 C ATOM 1059 OH TYR A 69 19.489 -3.147 15.481 1.00 0.01 O ATOM 0 H TYR A 69 17.268 -7.580 9.055 1.00 0.00 H new ATOM 0 HA TYR A 69 16.633 -5.078 10.263 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.065 -7.170 11.518 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.718 -7.210 10.937 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.381 -5.565 11.725 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.351 -5.531 13.198 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.075 -4.086 13.590 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.042 -4.048 15.061 1.00 0.01 H new ATOM 0 HH TYR A 69 18.713 -2.943 16.043 1.00 0.01 H new ATOM 1069 N ASN A 70 19.704 -5.355 9.075 1.00 0.01 N ATOM 1070 CA ASN A 70 20.883 -4.546 8.654 1.00 0.00 C ATOM 1071 C ASN A 70 20.513 -3.654 7.469 1.00 0.00 C ATOM 1072 O ASN A 70 20.971 -2.536 7.350 1.00 0.01 O ATOM 1073 CB ASN A 70 22.030 -5.480 8.258 1.00 0.00 C ATOM 1074 CG ASN A 70 22.580 -6.171 9.508 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.534 -5.619 10.590 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.103 -7.362 9.407 1.00 0.01 N ATOM 0 H ASN A 70 19.792 -6.359 8.916 1.00 0.01 H new ATOM 0 HA ASN A 70 21.197 -3.916 9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.677 -6.224 7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.820 -4.914 7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.473 -7.829 10.235 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.142 -7.826 8.500 1.00 0.01 H new ATOM 1083 N GLU A 71 19.715 -4.155 6.575 1.00 0.00 N ATOM 1084 CA GLU A 71 19.340 -3.360 5.374 1.00 0.00 C ATOM 1085 C GLU A 71 18.292 -2.283 5.698 1.00 0.00 C ATOM 1086 O GLU A 71 18.175 -1.316 4.971 1.00 0.00 O ATOM 1087 CB GLU A 71 18.776 -4.310 4.313 1.00 0.00 C ATOM 1088 CG GLU A 71 18.466 -3.534 3.028 1.00 0.00 C ATOM 1089 CD GLU A 71 17.970 -4.505 1.957 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.041 -5.700 2.192 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.529 -4.038 0.920 1.00 0.00 O ATOM 0 H GLU A 71 19.302 -5.087 6.623 1.00 0.00 H new ATOM 0 HA GLU A 71 20.233 -2.852 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.494 -5.103 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.871 -4.789 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.710 -2.773 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.359 -3.015 2.679 1.00 0.00 H new ATOM 1098 N PHE A 72 17.498 -2.440 6.741 1.00 0.00 N ATOM 1099 CA PHE A 72 16.431 -1.409 7.027 1.00 0.00 C ATOM 1100 C PHE A 72 16.411 -0.941 8.489 1.00 0.00 C ATOM 1101 O PHE A 72 15.914 0.132 8.772 1.00 0.00 O ATOM 1102 CB PHE A 72 15.066 -2.025 6.723 1.00 0.00 C ATOM 1103 CG PHE A 72 14.957 -2.326 5.253 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.480 -1.347 4.377 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.329 -3.582 4.766 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.374 -1.624 3.010 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.224 -3.861 3.398 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.746 -2.880 2.520 1.00 0.00 C ATOM 0 H PHE A 72 17.539 -3.221 7.396 1.00 0.00 H new ATOM 0 HA PHE A 72 16.653 -0.544 6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.933 -2.939 7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.273 -1.340 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.193 -0.377 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.697 -4.337 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.005 -0.868 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.511 -4.831 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.665 -3.093 1.464 1.00 0.00 H new ATOM 1118 N ILE A 73 16.885 -1.724 9.427 1.00 0.00 N ATOM 1119 CA ILE A 73 16.808 -1.289 10.867 1.00 0.00 C ATOM 1120 C ILE A 73 18.165 -0.814 11.404 1.00 0.00 C ATOM 1121 O ILE A 73 18.216 0.026 12.278 1.00 0.01 O ATOM 1122 CB ILE A 73 16.315 -2.467 11.708 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.964 -2.974 11.167 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.155 -2.025 13.164 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.924 -1.845 11.118 1.00 0.00 C ATOM 0 H ILE A 73 17.317 -2.634 9.267 1.00 0.00 H new ATOM 0 HA ILE A 73 16.119 -0.447 10.930 1.00 0.00 H new ATOM 0 HB ILE A 73 17.044 -3.275 11.652 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.102 -3.388 10.168 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.597 -3.782 11.799 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.804 -2.865 13.763 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.116 -1.683 13.548 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.431 -1.212 13.220 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.982 -2.235 10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.769 -1.449 12.122 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.282 -1.049 10.465 1.00 0.00 H new ATOM 1137 N SER A 74 19.262 -1.327 10.923 1.00 0.01 N ATOM 1138 CA SER A 74 20.568 -0.849 11.472 1.00 0.00 C ATOM 1139 C SER A 74 20.706 0.652 11.232 1.00 0.00 C ATOM 1140 O SER A 74 20.348 1.161 10.188 1.00 0.01 O ATOM 1141 CB SER A 74 21.741 -1.578 10.816 1.00 0.00 C ATOM 1142 OG SER A 74 21.564 -1.591 9.408 1.00 0.01 O ATOM 0 H SER A 74 19.317 -2.038 10.193 1.00 0.01 H new ATOM 0 HA SER A 74 20.586 -1.059 12.541 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.678 -1.083 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.806 -2.598 11.194 1.00 0.00 H new ATOM 0 HG SER A 74 22.426 -1.756 8.971 1.00 0.01 H new ATOM 1148 N VAL A 75 21.228 1.363 12.189 1.00 0.01 N ATOM 1149 CA VAL A 75 21.401 2.829 12.021 1.00 0.01 C ATOM 1150 C VAL A 75 22.298 3.084 10.808 1.00 0.00 C ATOM 1151 O VAL A 75 22.440 4.200 10.349 1.00 0.00 O ATOM 1152 CB VAL A 75 22.058 3.410 13.274 1.00 0.00 C ATOM 1153 CG1 VAL A 75 21.183 3.113 14.496 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.444 2.782 13.464 1.00 0.00 C ATOM 0 H VAL A 75 21.544 0.990 13.084 1.00 0.01 H new ATOM 0 HA VAL A 75 20.431 3.304 11.871 1.00 0.01 H new ATOM 0 HB VAL A 75 22.164 4.489 13.162 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.652 3.527 15.389 1.00 0.01 H new ATOM 0 HG12 VAL A 75 20.201 3.565 14.359 1.00 0.01 H new ATOM 0 HG13 VAL A 75 21.073 2.035 14.611 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.912 3.196 14.357 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.342 1.702 13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 75 24.065 3.000 12.595 1.00 0.00 H new ATOM 1164 N GLN A 76 22.915 2.050 10.292 1.00 0.01 N ATOM 1165 CA GLN A 76 23.819 2.214 9.112 1.00 0.01 C ATOM 1166 C GLN A 76 23.075 1.819 7.834 1.00 0.01 C ATOM 1167 O GLN A 76 23.615 1.878 6.747 1.00 0.01 O ATOM 1168 CB GLN A 76 25.031 1.296 9.282 1.00 0.00 C ATOM 1169 CG GLN A 76 25.886 1.784 10.452 1.00 0.01 C ATOM 1170 CD GLN A 76 27.028 0.799 10.701 1.00 0.01 C ATOM 1171 OE1 GLN A 76 28.127 0.989 10.218 1.00 0.01 O ATOM 1172 NE2 GLN A 76 26.813 -0.257 11.438 1.00 0.01 N ATOM 0 H GLN A 76 22.831 1.095 10.639 1.00 0.01 H new ATOM 0 HA GLN A 76 24.139 3.253 9.042 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.702 0.272 9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.622 1.285 8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.287 2.774 10.234 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.273 1.879 11.348 1.00 0.01 H new ATOM 0 HE21 GLN A 76 25.891 -0.417 11.844 1.00 0.01 H new ATOM 0 HE22 GLN A 76 27.567 -0.922 11.608 1.00 0.01 H new ATOM 1181 N ALA A 77 21.839 1.420 7.955 1.00 0.01 N ATOM 1182 CA ALA A 77 21.064 1.024 6.745 1.00 0.00 C ATOM 1183 C ALA A 77 21.198 2.117 5.679 1.00 0.01 C ATOM 1184 O ALA A 77 21.222 3.291 5.985 1.00 0.00 O ATOM 1185 CB ALA A 77 19.591 0.854 7.121 1.00 0.00 C ATOM 0 H ALA A 77 21.333 1.351 8.838 1.00 0.01 H new ATOM 0 HA ALA A 77 21.450 0.083 6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.021 0.564 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.497 0.081 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.204 1.796 7.510 1.00 0.00 H new ATOM 1191 N THR A 78 21.284 1.744 4.430 1.00 0.01 N ATOM 1192 CA THR A 78 21.418 2.775 3.361 1.00 0.01 C ATOM 1193 C THR A 78 20.099 3.538 3.247 1.00 0.01 C ATOM 1194 O THR A 78 20.057 4.665 2.794 1.00 0.00 O ATOM 1195 CB THR A 78 21.731 2.098 2.022 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.640 1.271 1.640 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.996 1.249 2.155 1.00 0.01 C ATOM 0 H THR A 78 21.267 0.777 4.106 1.00 0.01 H new ATOM 0 HA THR A 78 22.228 3.460 3.611 1.00 0.01 H new ATOM 0 HB THR A 78 21.890 2.862 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.841 0.840 0.783 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.215 0.770 1.201 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.833 1.886 2.441 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.843 0.486 2.918 1.00 0.01 H new ATOM 1205 N LYS A 79 19.021 2.927 3.664 1.00 0.00 N ATOM 1206 CA LYS A 79 17.685 3.593 3.598 1.00 0.00 C ATOM 1207 C LYS A 79 16.925 3.316 4.900 1.00 0.00 C ATOM 1208 O LYS A 79 16.119 2.411 4.984 1.00 0.00 O ATOM 1209 CB LYS A 79 16.901 3.034 2.403 1.00 0.00 C ATOM 1210 CG LYS A 79 17.148 1.524 2.299 1.00 0.00 C ATOM 1211 CD LYS A 79 16.296 0.928 1.178 1.00 0.01 C ATOM 1212 CE LYS A 79 16.611 -0.568 1.043 1.00 0.00 C ATOM 1213 NZ LYS A 79 17.898 -0.743 0.312 1.00 0.00 N ATOM 0 H LYS A 79 19.009 1.984 4.052 1.00 0.00 H new ATOM 0 HA LYS A 79 17.807 4.669 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.836 3.233 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.213 3.530 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.203 1.333 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.906 1.042 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.237 1.070 1.395 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.500 1.441 0.238 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.676 -1.027 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.806 -1.073 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.035 -1.749 0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.875 -0.191 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.683 -0.411 0.907 1.00 0.00 H new ATOM 1227 N GLU A 80 17.179 4.095 5.916 1.00 0.00 N ATOM 1228 CA GLU A 80 16.480 3.889 7.217 1.00 0.00 C ATOM 1229 C GLU A 80 14.975 4.077 7.033 1.00 0.00 C ATOM 1230 O GLU A 80 14.532 4.946 6.312 1.00 0.00 O ATOM 1231 CB GLU A 80 16.996 4.901 8.239 1.00 0.00 C ATOM 1232 CG GLU A 80 18.433 4.549 8.626 1.00 0.00 C ATOM 1233 CD GLU A 80 18.946 5.564 9.647 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.264 6.552 9.865 1.00 0.00 O ATOM 1235 OE2 GLU A 80 20.015 5.339 10.191 1.00 0.01 O ATOM 0 H GLU A 80 17.843 4.869 5.901 1.00 0.00 H new ATOM 0 HA GLU A 80 16.676 2.877 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.957 5.907 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.359 4.898 9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.473 3.543 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.071 4.552 7.742 1.00 0.00 H new ATOM 1242 N VAL A 81 14.185 3.265 7.684 1.00 0.00 N ATOM 1243 CA VAL A 81 12.703 3.383 7.555 1.00 0.00 C ATOM 1244 C VAL A 81 12.160 4.243 8.696 1.00 0.00 C ATOM 1245 O VAL A 81 12.735 4.308 9.765 1.00 0.00 O ATOM 1246 CB VAL A 81 12.082 1.988 7.625 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.380 1.231 6.330 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.688 1.225 8.805 1.00 0.00 C ATOM 0 H VAL A 81 14.505 2.520 8.303 1.00 0.00 H new ATOM 0 HA VAL A 81 12.452 3.848 6.602 1.00 0.00 H new ATOM 0 HB VAL A 81 11.003 2.076 7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.937 0.236 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.957 1.775 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.459 1.142 6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.248 0.229 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.766 1.138 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.482 1.763 9.730 1.00 0.00 H new ATOM 1258 N ASN A 82 11.062 4.912 8.475 1.00 0.00 N ATOM 1259 CA ASN A 82 10.489 5.776 9.544 1.00 0.00 C ATOM 1260 C ASN A 82 9.818 4.901 10.607 1.00 0.00 C ATOM 1261 O ASN A 82 8.736 4.383 10.413 1.00 0.00 O ATOM 1262 CB ASN A 82 9.461 6.726 8.922 1.00 0.00 C ATOM 1263 CG ASN A 82 8.646 5.975 7.866 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.242 6.547 6.874 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.387 4.708 8.040 1.00 0.00 N ATOM 0 H ASN A 82 10.537 4.897 7.600 1.00 0.00 H new ATOM 0 HA ASN A 82 11.282 6.357 10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.800 7.120 9.694 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.966 7.579 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.845 4.198 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.727 4.228 8.873 1.00 0.00 H new ATOM 1272 N LEU A 83 10.457 4.744 11.736 1.00 0.00 N ATOM 1273 CA LEU A 83 9.878 3.915 12.839 1.00 0.00 C ATOM 1274 C LEU A 83 10.278 4.549 14.173 1.00 0.00 C ATOM 1275 O LEU A 83 11.165 5.378 14.231 1.00 0.00 O ATOM 1276 CB LEU A 83 10.436 2.483 12.778 1.00 0.01 C ATOM 1277 CG LEU A 83 9.924 1.740 11.532 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.670 0.409 11.405 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.414 1.462 11.651 1.00 0.00 C ATOM 0 H LEU A 83 11.365 5.158 11.945 1.00 0.00 H new ATOM 0 HA LEU A 83 8.794 3.875 12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.525 2.515 12.764 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.144 1.938 13.676 1.00 0.01 H new ATOM 0 HG LEU A 83 10.099 2.360 10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.314 -0.125 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.739 0.599 11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.489 -0.196 12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.070 0.936 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.225 0.847 12.531 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.877 2.406 11.745 1.00 0.00 H new ATOM 1291 N ASP A 84 9.638 4.179 15.247 1.00 0.01 N ATOM 1292 CA ASP A 84 9.999 4.779 16.564 1.00 0.00 C ATOM 1293 C ASP A 84 11.323 4.183 17.055 1.00 0.00 C ATOM 1294 O ASP A 84 11.834 3.233 16.497 1.00 0.00 O ATOM 1295 CB ASP A 84 8.896 4.497 17.587 1.00 0.00 C ATOM 1296 CG ASP A 84 8.871 3.003 17.911 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.498 2.253 17.184 1.00 0.01 O ATOM 1298 OD2 ASP A 84 8.229 2.637 18.882 1.00 0.00 O ATOM 0 H ASP A 84 8.885 3.491 15.272 1.00 0.01 H new ATOM 0 HA ASP A 84 10.108 5.857 16.447 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.071 5.074 18.495 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.930 4.810 17.192 1.00 0.00 H new ATOM 1303 N SER A 85 11.881 4.742 18.092 1.00 0.00 N ATOM 1304 CA SER A 85 13.174 4.225 18.624 1.00 0.01 C ATOM 1305 C SER A 85 12.973 2.855 19.280 1.00 0.01 C ATOM 1306 O SER A 85 13.906 2.095 19.444 1.00 0.00 O ATOM 1307 CB SER A 85 13.723 5.203 19.662 1.00 0.01 C ATOM 1308 OG SER A 85 14.985 4.737 20.126 1.00 0.00 O ATOM 0 H SER A 85 11.495 5.540 18.597 1.00 0.00 H new ATOM 0 HA SER A 85 13.878 4.123 17.798 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.828 6.196 19.224 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.027 5.295 20.496 1.00 0.01 H new ATOM 0 HG SER A 85 15.341 5.363 20.791 1.00 0.00 H new ATOM 1314 N CYS A 86 11.771 2.543 19.684 1.00 0.01 N ATOM 1315 CA CYS A 86 11.530 1.232 20.358 1.00 0.01 C ATOM 1316 C CYS A 86 11.323 0.114 19.330 1.00 0.00 C ATOM 1317 O CYS A 86 11.757 -1.003 19.533 1.00 0.01 O ATOM 1318 CB CYS A 86 10.287 1.343 21.241 1.00 0.01 C ATOM 1319 SG CYS A 86 10.549 2.629 22.488 1.00 0.01 S ATOM 0 H CYS A 86 10.948 3.136 19.578 1.00 0.01 H new ATOM 0 HA CYS A 86 12.403 0.987 20.962 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.415 1.583 20.632 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.084 0.388 21.725 1.00 0.01 H new ATOM 0 HG CYS A 86 9.492 2.727 23.239 1.00 0.01 H new ATOM 1325 N THR A 87 10.667 0.385 18.238 1.00 0.00 N ATOM 1326 CA THR A 87 10.444 -0.698 17.234 1.00 0.00 C ATOM 1327 C THR A 87 11.787 -1.230 16.735 1.00 0.00 C ATOM 1328 O THR A 87 11.993 -2.424 16.652 1.00 0.01 O ATOM 1329 CB THR A 87 9.649 -0.158 16.046 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.390 0.319 16.497 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.434 -1.277 15.026 1.00 0.00 C ATOM 0 H THR A 87 10.279 1.297 17.996 1.00 0.00 H new ATOM 0 HA THR A 87 9.884 -1.503 17.710 1.00 0.00 H new ATOM 0 HB THR A 87 10.201 0.658 15.580 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.328 1.283 16.334 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.867 -0.893 14.178 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.400 -1.644 14.680 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.882 -2.093 15.492 1.00 0.00 H new ATOM 1339 N ARG A 88 12.705 -0.365 16.401 1.00 0.01 N ATOM 1340 CA ARG A 88 14.020 -0.858 15.912 1.00 0.00 C ATOM 1341 C ARG A 88 14.667 -1.710 17.008 1.00 0.00 C ATOM 1342 O ARG A 88 15.130 -2.807 16.760 1.00 0.01 O ATOM 1343 CB ARG A 88 14.934 0.323 15.571 1.00 0.00 C ATOM 1344 CG ARG A 88 14.347 1.118 14.397 1.00 0.00 C ATOM 1345 CD ARG A 88 15.438 2.006 13.786 1.00 0.00 C ATOM 1346 NE ARG A 88 16.031 2.892 14.844 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.303 3.734 15.522 1.00 0.00 C ATOM 1348 NH1 ARG A 88 14.058 3.946 15.192 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.835 4.409 16.504 1.00 0.01 N ATOM 0 H ARG A 88 12.603 0.649 16.445 1.00 0.01 H new ATOM 0 HA ARG A 88 13.872 -1.456 15.013 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.045 0.971 16.441 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.930 -0.039 15.314 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.953 0.437 13.643 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.513 1.731 14.739 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.216 1.386 13.341 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.018 2.614 12.985 1.00 0.00 H new ATOM 0 HE ARG A 88 17.031 2.833 15.037 1.00 0.01 H new ATOM 0 HH11 ARG A 88 13.649 3.451 14.399 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.494 4.606 15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.819 4.277 16.740 1.00 0.01 H new ATOM 0 HH22 ARG A 88 15.267 5.069 17.036 1.00 0.01 H new ATOM 1363 N GLU A 89 14.696 -1.222 18.222 1.00 0.01 N ATOM 1364 CA GLU A 89 15.302 -2.019 19.327 1.00 0.01 C ATOM 1365 C GLU A 89 14.545 -3.340 19.482 1.00 0.01 C ATOM 1366 O GLU A 89 15.132 -4.380 19.702 1.00 0.00 O ATOM 1367 CB GLU A 89 15.235 -1.230 20.640 1.00 0.01 C ATOM 1368 CG GLU A 89 16.242 -0.075 20.600 1.00 0.01 C ATOM 1369 CD GLU A 89 16.125 0.755 21.881 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.266 1.618 21.928 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.899 0.512 22.795 1.00 0.01 O ATOM 0 H GLU A 89 14.328 -0.310 18.493 1.00 0.01 H new ATOM 0 HA GLU A 89 16.345 -2.224 19.088 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.228 -0.842 20.791 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.454 -1.887 21.482 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.255 -0.466 20.499 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.055 0.554 19.729 1.00 0.01 H new ATOM 1378 N GLU A 90 13.246 -3.313 19.366 1.00 0.00 N ATOM 1379 CA GLU A 90 12.467 -4.575 19.506 1.00 0.01 C ATOM 1380 C GLU A 90 12.910 -5.576 18.441 1.00 0.01 C ATOM 1381 O GLU A 90 13.031 -6.757 18.702 1.00 0.01 O ATOM 1382 CB GLU A 90 10.972 -4.285 19.349 1.00 0.01 C ATOM 1383 CG GLU A 90 10.445 -3.630 20.626 1.00 0.00 C ATOM 1384 CD GLU A 90 9.009 -3.164 20.407 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.832 -2.045 19.954 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.108 -3.934 20.696 1.00 0.01 O ATOM 0 H GLU A 90 12.693 -2.476 19.181 1.00 0.00 H new ATOM 0 HA GLU A 90 12.648 -4.997 20.495 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.805 -3.629 18.495 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.430 -5.210 19.151 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.486 -4.338 21.454 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.075 -2.784 20.899 1.00 0.00 H new ATOM 1393 N THR A 91 13.156 -5.124 17.242 1.00 0.01 N ATOM 1394 CA THR A 91 13.588 -6.073 16.183 1.00 0.01 C ATOM 1395 C THR A 91 14.916 -6.704 16.600 1.00 0.01 C ATOM 1396 O THR A 91 15.126 -7.888 16.452 1.00 0.01 O ATOM 1397 CB THR A 91 13.780 -5.332 14.859 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.650 -4.505 14.608 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.920 -6.351 13.728 1.00 0.01 C ATOM 0 H THR A 91 13.077 -4.149 16.954 1.00 0.01 H new ATOM 0 HA THR A 91 12.826 -6.842 16.053 1.00 0.01 H new ATOM 0 HB THR A 91 14.677 -4.715 14.914 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.775 -4.029 13.760 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.057 -5.828 12.782 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.783 -6.989 13.918 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.020 -6.964 13.677 1.00 0.01 H new ATOM 1407 N SER A 92 15.812 -5.916 17.126 1.00 0.01 N ATOM 1408 CA SER A 92 17.132 -6.459 17.549 1.00 0.01 C ATOM 1409 C SER A 92 16.932 -7.544 18.610 1.00 0.01 C ATOM 1410 O SER A 92 17.527 -8.601 18.545 1.00 0.00 O ATOM 1411 CB SER A 92 17.974 -5.325 18.132 1.00 0.01 C ATOM 1412 OG SER A 92 17.404 -4.906 19.365 1.00 0.01 O ATOM 0 H SER A 92 15.686 -4.916 17.281 1.00 0.01 H new ATOM 0 HA SER A 92 17.640 -6.893 16.688 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.000 -5.660 18.287 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.014 -4.489 17.433 1.00 0.01 H new ATOM 0 HG SER A 92 16.492 -4.582 19.210 1.00 0.01 H new ATOM 1418 N ARG A 93 16.095 -7.300 19.581 1.00 0.01 N ATOM 1419 CA ARG A 93 15.861 -8.336 20.627 1.00 0.01 C ATOM 1420 C ARG A 93 15.142 -9.531 20.002 1.00 0.01 C ATOM 1421 O ARG A 93 15.451 -10.673 20.282 1.00 0.01 O ATOM 1422 CB ARG A 93 15.006 -7.741 21.747 1.00 0.00 C ATOM 1423 CG ARG A 93 15.832 -6.714 22.524 1.00 0.01 C ATOM 1424 CD ARG A 93 14.986 -6.113 23.645 1.00 0.01 C ATOM 1425 NE ARG A 93 13.918 -5.259 23.053 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.906 -4.874 23.783 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.837 -5.212 25.040 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.967 -4.143 23.253 1.00 0.01 N ATOM 0 H ARG A 93 15.567 -6.435 19.695 1.00 0.01 H new ATOM 0 HA ARG A 93 16.814 -8.666 21.040 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.117 -7.268 21.329 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.663 -8.530 22.416 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.721 -7.188 22.941 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.176 -5.927 21.853 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.542 -6.906 24.246 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.613 -5.521 24.312 1.00 0.01 H new ATOM 0 HE ARG A 93 13.978 -4.974 22.075 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.575 -5.779 25.457 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.045 -4.909 25.607 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.024 -3.873 22.271 1.00 0.01 H new ATOM 0 HH22 ARG A 93 11.175 -3.840 23.820 1.00 0.01 H new ATOM 1442 N ASN A 94 14.199 -9.272 19.142 1.00 0.01 N ATOM 1443 CA ASN A 94 13.463 -10.383 18.476 1.00 0.01 C ATOM 1444 C ASN A 94 14.445 -11.222 17.661 1.00 0.01 C ATOM 1445 O ASN A 94 14.360 -12.432 17.616 1.00 0.01 O ATOM 1446 CB ASN A 94 12.391 -9.808 17.548 1.00 0.01 C ATOM 1447 CG ASN A 94 11.270 -9.184 18.382 1.00 0.01 C ATOM 1448 OD1 ASN A 94 10.819 -8.093 18.094 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.795 -9.836 19.407 1.00 0.01 N ATOM 0 H ASN A 94 13.904 -8.334 18.870 1.00 0.01 H new ATOM 0 HA ASN A 94 12.987 -11.007 19.232 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.830 -9.057 16.891 1.00 0.01 H new ATOM 0 HB3 ASN A 94 11.988 -10.595 16.910 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.045 -9.430 19.967 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.173 -10.752 19.649 1.00 0.01 H new ATOM 1456 N MET A 95 15.377 -10.582 17.012 1.00 0.01 N ATOM 1457 CA MET A 95 16.370 -11.331 16.191 1.00 0.01 C ATOM 1458 C MET A 95 17.086 -12.359 17.069 1.00 0.01 C ATOM 1459 O MET A 95 17.519 -13.392 16.600 1.00 0.01 O ATOM 1460 CB MET A 95 17.381 -10.345 15.602 1.00 0.01 C ATOM 1461 CG MET A 95 16.723 -9.562 14.461 1.00 0.01 C ATOM 1462 SD MET A 95 17.685 -8.070 14.112 1.00 0.01 S ATOM 1463 CE MET A 95 19.148 -8.893 13.442 1.00 0.01 C ATOM 0 H MET A 95 15.495 -9.569 17.015 1.00 0.01 H new ATOM 0 HA MET A 95 15.863 -11.852 15.379 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.730 -9.660 16.375 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.256 -10.881 15.233 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.662 -10.184 13.568 1.00 0.01 H new ATOM 0 HG3 MET A 95 15.702 -9.293 14.733 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.712 -8.190 12.828 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.776 -9.244 14.261 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.840 -9.742 12.832 1.00 0.01 H new ATOM 1473 N LEU A 96 17.198 -12.099 18.344 1.00 0.01 N ATOM 1474 CA LEU A 96 17.866 -13.086 19.239 1.00 0.01 C ATOM 1475 C LEU A 96 16.997 -14.346 19.260 1.00 0.01 C ATOM 1476 O LEU A 96 17.452 -15.435 19.549 1.00 0.01 O ATOM 1477 CB LEU A 96 17.967 -12.513 20.658 1.00 0.01 C ATOM 1478 CG LEU A 96 18.722 -11.175 20.642 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.689 -10.566 22.047 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.181 -11.393 20.217 1.00 0.01 C ATOM 0 H LEU A 96 16.859 -11.253 18.801 1.00 0.01 H new ATOM 0 HA LEU A 96 18.871 -13.311 18.881 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.969 -12.370 21.071 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.482 -13.221 21.307 1.00 0.01 H new ATOM 0 HG LEU A 96 18.244 -10.502 19.930 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.223 -9.616 22.044 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.654 -10.400 22.347 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.166 -11.248 22.751 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.705 -10.437 20.210 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.668 -12.068 20.921 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.208 -11.829 19.218 1.00 0.01 H new ATOM 1492 N GLU A 97 15.741 -14.182 18.939 1.00 0.01 N ATOM 1493 CA GLU A 97 14.783 -15.328 18.907 1.00 0.01 C ATOM 1494 C GLU A 97 13.847 -15.119 17.707 1.00 0.01 C ATOM 1495 O GLU A 97 12.748 -14.626 17.861 1.00 0.01 O ATOM 1496 CB GLU A 97 13.952 -15.331 20.194 1.00 0.01 C ATOM 1497 CG GLU A 97 14.801 -15.848 21.356 1.00 0.01 C ATOM 1498 CD GLU A 97 15.040 -17.349 21.188 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.227 -18.117 21.675 1.00 0.01 O ATOM 1500 OE2 GLU A 97 16.033 -17.705 20.575 1.00 0.01 O ATOM 0 H GLU A 97 15.329 -13.282 18.692 1.00 0.01 H new ATOM 0 HA GLU A 97 15.319 -16.274 18.823 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.597 -14.324 20.411 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.071 -15.960 20.067 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.754 -15.319 21.387 1.00 0.01 H new ATOM 0 HG3 GLU A 97 14.297 -15.653 22.303 1.00 0.01 H new ATOM 1507 N PRO A 98 14.281 -15.456 16.512 1.00 0.01 N ATOM 1508 CA PRO A 98 13.437 -15.241 15.304 1.00 0.01 C ATOM 1509 C PRO A 98 12.077 -15.940 15.412 1.00 0.01 C ATOM 1510 O PRO A 98 11.980 -17.150 15.374 1.00 0.01 O ATOM 1511 CB PRO A 98 14.310 -15.822 14.172 1.00 0.00 C ATOM 1512 CG PRO A 98 15.717 -16.085 14.744 1.00 0.01 C ATOM 1513 CD PRO A 98 15.617 -16.075 16.278 1.00 0.01 C ATOM 0 HA PRO A 98 13.174 -14.195 15.146 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.875 -16.746 13.791 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.363 -15.125 13.335 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.097 -17.044 14.393 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.416 -15.321 14.403 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.677 -17.080 16.695 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.419 -15.493 16.733 1.00 0.01 H new ATOM 1521 N THR A 99 11.031 -15.167 15.548 1.00 0.01 N ATOM 1522 CA THR A 99 9.653 -15.735 15.664 1.00 0.01 C ATOM 1523 C THR A 99 8.772 -15.092 14.596 1.00 0.01 C ATOM 1524 O THR A 99 9.178 -14.166 13.926 1.00 0.01 O ATOM 1525 CB THR A 99 9.082 -15.413 17.048 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.238 -14.025 17.313 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.823 -16.223 18.114 1.00 0.00 C ATOM 0 H THR A 99 11.074 -14.149 15.584 1.00 0.01 H new ATOM 0 HA THR A 99 9.683 -16.816 15.529 1.00 0.01 H new ATOM 0 HB THR A 99 8.024 -15.672 17.071 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.361 -13.624 17.486 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.414 -15.991 19.097 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.701 -17.287 17.912 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.883 -15.969 18.093 1.00 0.00 H new ATOM 1535 N ILE A 100 7.573 -15.568 14.431 1.00 0.00 N ATOM 1536 CA ILE A 100 6.673 -14.978 13.401 1.00 0.01 C ATOM 1537 C ILE A 100 6.249 -13.581 13.848 1.00 0.01 C ATOM 1538 O ILE A 100 5.825 -12.762 13.057 1.00 0.01 O ATOM 1539 CB ILE A 100 5.440 -15.874 13.238 1.00 0.00 C ATOM 1540 CG1 ILE A 100 4.599 -15.398 12.043 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.589 -15.822 14.512 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.374 -15.576 10.729 1.00 0.01 C ATOM 0 H ILE A 100 7.175 -16.341 14.964 1.00 0.00 H new ATOM 0 HA ILE A 100 7.193 -14.907 12.446 1.00 0.01 H new ATOM 0 HB ILE A 100 5.769 -16.898 13.062 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.667 -15.961 12.000 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.332 -14.349 12.174 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.714 -16.460 14.391 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.180 -16.172 15.359 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.268 -14.796 14.693 1.00 0.01 H new ATOM 0 HD11 ILE A 100 4.761 -15.233 9.896 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.294 -14.992 10.767 1.00 0.01 H new ATOM 0 HD13 ILE A 100 5.618 -16.629 10.590 1.00 0.01 H new ATOM 1554 N THR A 101 6.361 -13.302 15.118 1.00 0.00 N ATOM 1555 CA THR A 101 5.967 -11.961 15.637 1.00 0.01 C ATOM 1556 C THR A 101 7.189 -11.039 15.661 1.00 0.01 C ATOM 1557 O THR A 101 7.133 -9.928 16.148 1.00 0.01 O ATOM 1558 CB THR A 101 5.418 -12.115 17.056 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.422 -12.678 17.888 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.193 -13.032 17.035 1.00 0.01 C ATOM 0 H THR A 101 6.711 -13.950 15.823 1.00 0.00 H new ATOM 0 HA THR A 101 5.203 -11.529 14.990 1.00 0.01 H new ATOM 0 HB THR A 101 5.128 -11.139 17.444 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.074 -12.777 18.799 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.803 -13.141 18.047 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.425 -12.598 16.395 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.478 -14.011 16.649 1.00 0.01 H new ATOM 1568 N CYS A 102 8.296 -11.498 15.144 1.00 0.00 N ATOM 1569 CA CYS A 102 9.529 -10.659 15.144 1.00 0.00 C ATOM 1570 C CYS A 102 9.311 -9.371 14.340 1.00 0.01 C ATOM 1571 O CYS A 102 9.394 -8.280 14.866 1.00 0.01 O ATOM 1572 CB CYS A 102 10.682 -11.452 14.522 1.00 0.00 C ATOM 1573 SG CYS A 102 12.099 -10.356 14.262 1.00 0.01 S ATOM 0 H CYS A 102 8.400 -12.420 14.721 1.00 0.00 H new ATOM 0 HA CYS A 102 9.768 -10.393 16.174 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.963 -12.278 15.175 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.367 -11.888 13.574 1.00 0.00 H new ATOM 0 HG CYS A 102 12.086 -9.913 13.040 1.00 0.01 H new ATOM 1579 N PHE A 103 9.058 -9.485 13.060 1.00 0.00 N ATOM 1580 CA PHE A 103 8.866 -8.264 12.215 1.00 0.01 C ATOM 1581 C PHE A 103 7.385 -7.891 12.115 1.00 0.01 C ATOM 1582 O PHE A 103 7.032 -6.911 11.488 1.00 0.00 O ATOM 1583 CB PHE A 103 9.410 -8.544 10.812 1.00 0.00 C ATOM 1584 CG PHE A 103 10.918 -8.575 10.854 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.585 -9.740 11.250 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.650 -7.436 10.499 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.983 -9.766 11.291 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.047 -7.462 10.539 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.716 -8.628 10.936 1.00 0.00 C ATOM 0 H PHE A 103 8.976 -10.372 12.562 1.00 0.00 H new ATOM 0 HA PHE A 103 9.399 -7.432 12.675 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.026 -9.496 10.445 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.071 -7.775 10.119 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.020 -10.619 11.524 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.135 -6.537 10.194 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.497 -10.665 11.597 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.611 -6.583 10.264 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.795 -8.648 10.968 1.00 0.00 H new ATOM 1599 N ASP A 104 6.512 -8.643 12.721 1.00 0.01 N ATOM 1600 CA ASP A 104 5.065 -8.291 12.641 1.00 0.01 C ATOM 1601 C ASP A 104 4.853 -6.908 13.256 1.00 0.00 C ATOM 1602 O ASP A 104 4.084 -6.105 12.764 1.00 0.01 O ATOM 1603 CB ASP A 104 4.230 -9.309 13.415 1.00 0.01 C ATOM 1604 CG ASP A 104 4.275 -10.663 12.706 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.898 -10.742 11.659 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.694 -11.603 13.224 1.00 0.01 O ATOM 0 H ASP A 104 6.732 -9.478 13.264 1.00 0.01 H new ATOM 0 HA ASP A 104 4.756 -8.294 11.596 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.611 -9.408 14.431 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.199 -8.963 13.493 1.00 0.01 H new ATOM 1611 N GLU A 105 5.529 -6.630 14.337 1.00 0.00 N ATOM 1612 CA GLU A 105 5.373 -5.310 15.004 1.00 0.00 C ATOM 1613 C GLU A 105 5.846 -4.205 14.060 1.00 0.00 C ATOM 1614 O GLU A 105 5.256 -3.146 13.990 1.00 0.01 O ATOM 1615 CB GLU A 105 6.208 -5.293 16.287 1.00 0.00 C ATOM 1616 CG GLU A 105 6.036 -3.949 16.999 1.00 0.00 C ATOM 1617 CD GLU A 105 6.846 -3.954 18.296 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.434 -4.978 18.602 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.864 -2.930 18.957 1.00 0.00 O ATOM 0 H GLU A 105 6.186 -7.266 14.788 1.00 0.00 H new ATOM 0 HA GLU A 105 4.325 -5.142 15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.898 -6.106 16.944 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.259 -5.458 16.050 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.369 -3.137 16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.983 -3.772 17.216 1.00 0.00 H new ATOM 1626 N ALA A 106 6.908 -4.435 13.340 1.00 0.00 N ATOM 1627 CA ALA A 106 7.408 -3.382 12.416 1.00 0.00 C ATOM 1628 C ALA A 106 6.416 -3.191 11.264 1.00 0.00 C ATOM 1629 O ALA A 106 6.067 -2.080 10.924 1.00 0.00 O ATOM 1630 CB ALA A 106 8.778 -3.789 11.866 1.00 0.00 C ATOM 0 H ALA A 106 7.448 -5.300 13.351 1.00 0.00 H new ATOM 0 HA ALA A 106 7.506 -2.442 12.958 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.143 -3.016 11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.480 -3.910 12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.688 -4.731 11.326 1.00 0.00 H new ATOM 1636 N GLN A 107 5.936 -4.253 10.667 1.00 0.00 N ATOM 1637 CA GLN A 107 4.952 -4.082 9.557 1.00 0.00 C ATOM 1638 C GLN A 107 3.722 -3.359 10.100 1.00 0.00 C ATOM 1639 O GLN A 107 3.149 -2.506 9.452 1.00 0.00 O ATOM 1640 CB GLN A 107 4.533 -5.440 8.984 1.00 0.00 C ATOM 1641 CG GLN A 107 3.549 -5.213 7.828 1.00 0.00 C ATOM 1642 CD GLN A 107 3.183 -6.551 7.183 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.059 -7.001 7.286 1.00 0.00 O ATOM 1644 NE2 GLN A 107 4.091 -7.209 6.517 1.00 0.00 N ATOM 0 H GLN A 107 6.179 -5.217 10.896 1.00 0.00 H new ATOM 0 HA GLN A 107 5.415 -3.502 8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.408 -5.986 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.068 -6.049 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.650 -4.719 8.196 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.994 -4.551 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.034 -6.831 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.858 -8.102 6.082 1.00 0.00 H new ATOM 1653 N LYS A 108 3.308 -3.699 11.291 1.00 0.00 N ATOM 1654 CA LYS A 108 2.112 -3.037 11.881 1.00 0.00 C ATOM 1655 C LYS A 108 2.385 -1.538 11.955 1.00 0.00 C ATOM 1656 O LYS A 108 1.524 -0.723 11.687 1.00 0.00 O ATOM 1657 CB LYS A 108 1.870 -3.591 13.289 1.00 0.00 C ATOM 1658 CG LYS A 108 0.639 -2.927 13.913 1.00 0.00 C ATOM 1659 CD LYS A 108 0.416 -3.494 15.316 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.786 -2.807 15.966 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.059 -3.439 17.289 1.00 0.00 N ATOM 0 H LYS A 108 3.747 -4.407 11.880 1.00 0.00 H new ATOM 0 HA LYS A 108 1.230 -3.226 11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.726 -4.671 13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.745 -3.412 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.780 -1.847 13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.239 -3.106 13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.246 -4.569 15.261 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.307 -3.343 15.926 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -0.587 -1.743 16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.661 -2.893 15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.876 -2.974 17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.266 -4.449 17.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.225 -3.335 17.902 1.00 0.00 H new ATOM 1675 N LYS A 109 3.584 -1.168 12.312 1.00 0.01 N ATOM 1676 CA LYS A 109 3.924 0.277 12.395 1.00 0.00 C ATOM 1677 C LYS A 109 3.833 0.890 10.996 1.00 0.00 C ATOM 1678 O LYS A 109 3.353 1.993 10.823 1.00 0.00 O ATOM 1679 CB LYS A 109 5.348 0.435 12.936 1.00 0.00 C ATOM 1680 CG LYS A 109 5.407 0.013 14.413 1.00 0.00 C ATOM 1681 CD LYS A 109 4.887 1.140 15.316 1.00 0.01 C ATOM 1682 CE LYS A 109 5.062 0.733 16.781 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.318 -0.533 17.033 1.00 0.01 N ATOM 0 H LYS A 109 4.343 -1.807 12.550 1.00 0.01 H new ATOM 0 HA LYS A 109 3.229 0.784 13.064 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.037 -0.173 12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.670 1.471 12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.810 -0.887 14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.433 -0.235 14.686 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.431 2.063 15.115 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.836 1.336 15.104 1.00 0.01 H new ATOM 0 HE2 LYS A 109 6.119 0.598 17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.693 1.522 17.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.854 -0.484 17.962 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.599 -0.666 16.294 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 4.981 -1.334 17.019 1.00 0.01 H new ATOM 1697 N ILE A 110 4.279 0.180 9.995 1.00 0.00 N ATOM 1698 CA ILE A 110 4.200 0.728 8.614 1.00 0.00 C ATOM 1699 C ILE A 110 2.725 0.832 8.222 1.00 0.00 C ATOM 1700 O ILE A 110 2.300 1.807 7.631 1.00 0.00 O ATOM 1701 CB ILE A 110 4.936 -0.209 7.644 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.420 -0.330 8.036 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.828 0.330 6.217 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.082 1.053 8.124 1.00 0.00 C ATOM 0 H ILE A 110 4.692 -0.749 10.074 1.00 0.00 H new ATOM 0 HA ILE A 110 4.667 1.712 8.570 1.00 0.00 H new ATOM 0 HB ILE A 110 4.474 -1.195 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.506 -0.840 8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.945 -0.942 7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.352 -0.339 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.778 0.392 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.277 1.322 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.130 0.938 8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.016 1.550 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.571 1.654 8.876 1.00 0.00 H new ATOM 1716 N PHE A 111 1.929 -0.145 8.571 1.00 0.00 N ATOM 1717 CA PHE A 111 0.481 -0.063 8.240 1.00 0.00 C ATOM 1718 C PHE A 111 -0.098 1.185 8.924 1.00 0.00 C ATOM 1719 O PHE A 111 -0.777 1.980 8.314 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.245 -1.337 8.751 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.483 -2.316 7.612 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.582 -2.717 6.798 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.774 -2.816 7.374 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.357 -3.616 5.749 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.994 -3.713 6.325 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.933 -4.113 5.513 1.00 0.00 C ATOM 0 H PHE A 111 2.218 -0.988 9.067 1.00 0.00 H new ATOM 0 HA PHE A 111 0.341 0.005 7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.352 -1.814 9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.197 -1.061 9.205 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.575 -2.334 6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.597 -2.507 8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.178 -3.927 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.987 -4.097 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.105 -4.806 4.702 1.00 0.00 H new ATOM 1736 N ASN A 112 0.164 1.359 10.191 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.379 2.550 10.905 1.00 0.00 C ATOM 1738 C ASN A 112 0.198 3.843 10.314 1.00 0.00 C ATOM 1739 O ASN A 112 -0.488 4.832 10.177 1.00 0.00 O ATOM 1740 CB ASN A 112 0.000 2.469 12.386 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.755 1.314 13.047 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.207 0.612 13.873 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.994 1.085 12.713 1.00 0.00 N ATOM 0 H ASN A 112 0.729 0.730 10.761 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.463 2.560 10.792 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.075 2.320 12.489 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.241 3.407 12.885 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.505 0.315 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.453 1.675 12.019 1.00 0.00 H new ATOM 1750 N LEU A 113 1.457 3.856 9.978 1.00 0.00 N ATOM 1751 CA LEU A 113 2.051 5.107 9.425 1.00 0.00 C ATOM 1752 C LEU A 113 1.341 5.494 8.127 1.00 0.00 C ATOM 1753 O LEU A 113 0.777 6.564 8.011 1.00 0.00 O ATOM 1754 CB LEU A 113 3.546 4.877 9.145 1.00 0.00 C ATOM 1755 CG LEU A 113 4.129 6.054 8.348 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.773 7.377 9.037 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.654 5.912 8.279 1.00 0.00 C ATOM 0 H LEU A 113 2.095 3.065 10.060 1.00 0.00 H new ATOM 0 HA LEU A 113 1.931 5.913 10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.085 4.764 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.680 3.950 8.587 1.00 0.00 H new ATOM 0 HG LEU A 113 3.711 6.050 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.189 8.208 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.689 7.480 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.187 7.385 10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.072 6.745 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.066 5.915 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.910 4.975 7.785 1.00 0.00 H new ATOM 1769 N MET A 114 1.374 4.639 7.152 1.00 0.00 N ATOM 1770 CA MET A 114 0.716 4.954 5.857 1.00 0.00 C ATOM 1771 C MET A 114 -0.809 5.017 6.035 1.00 0.00 C ATOM 1772 O MET A 114 -1.473 5.849 5.450 1.00 0.00 O ATOM 1773 CB MET A 114 1.092 3.871 4.837 1.00 0.00 C ATOM 1774 CG MET A 114 0.448 2.528 5.227 1.00 0.00 C ATOM 1775 SD MET A 114 1.546 1.160 4.766 1.00 0.00 S ATOM 1776 CE MET A 114 0.890 0.833 3.112 1.00 0.00 C ATOM 0 H MET A 114 1.831 3.728 7.194 1.00 0.00 H new ATOM 0 HA MET A 114 1.054 5.927 5.499 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.760 4.167 3.842 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.176 3.764 4.792 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.255 2.505 6.300 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.514 2.418 4.727 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.712 0.602 2.434 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.205 -0.014 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.358 1.713 2.751 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.374 4.135 6.822 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.857 4.146 7.009 1.00 0.00 C ATOM 1788 C GLU A 115 -3.309 5.484 7.609 1.00 0.00 C ATOM 1789 O GLU A 115 -4.275 6.070 7.171 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.282 2.999 7.936 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.809 2.963 8.038 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.243 1.805 8.939 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.388 1.027 9.329 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.427 1.715 9.224 1.00 0.00 O ATOM 0 H GLU A 115 -0.875 3.412 7.340 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.328 4.015 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.910 2.049 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.844 3.135 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.178 3.906 8.441 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.246 2.847 7.046 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.642 5.961 8.622 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.071 7.254 9.241 1.00 0.00 C ATOM 1803 C LYS A 116 -2.555 8.452 8.430 1.00 0.01 C ATOM 1804 O LYS A 116 -2.972 9.569 8.658 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.547 7.334 10.686 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.471 6.548 11.629 1.00 0.00 C ATOM 1807 CD LYS A 116 -3.613 5.102 11.149 1.00 0.00 C ATOM 1808 CE LYS A 116 -4.349 4.283 12.207 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.389 2.855 11.785 1.00 0.00 N ATOM 0 H LYS A 116 -1.826 5.520 9.047 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.160 7.290 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.535 6.931 10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.492 8.375 11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.068 6.564 12.642 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.451 7.023 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.159 5.073 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.629 4.672 10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.846 4.376 13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.362 4.664 12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.163 2.246 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.340 2.624 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.692 2.697 11.029 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.642 8.244 7.502 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.099 9.401 6.705 1.00 0.00 C ATOM 1825 C ASP A 117 -1.326 9.198 5.204 1.00 0.00 C ATOM 1826 O ASP A 117 -1.954 10.007 4.548 1.00 0.00 O ATOM 1827 CB ASP A 117 0.407 9.520 6.951 1.00 0.00 C ATOM 1828 CG ASP A 117 0.662 9.970 8.389 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.292 10.361 9.044 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.803 9.911 8.814 1.00 0.00 O ATOM 0 H ASP A 117 -1.252 7.332 7.263 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.620 10.304 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.892 8.561 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.843 10.235 6.254 1.00 0.00 H new ATOM 1835 N SER A 118 -0.792 8.146 4.646 1.00 0.00 N ATOM 1836 CA SER A 118 -0.945 7.929 3.179 1.00 0.00 C ATOM 1837 C SER A 118 -2.417 7.834 2.782 1.00 0.00 C ATOM 1838 O SER A 118 -2.824 8.423 1.816 1.00 0.01 O ATOM 1839 CB SER A 118 -0.240 6.631 2.779 1.00 0.00 C ATOM 1840 OG SER A 118 -1.050 5.523 3.149 1.00 0.00 O ATOM 0 H SER A 118 -0.259 7.430 5.140 1.00 0.00 H new ATOM 0 HA SER A 118 -0.500 8.780 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.057 6.619 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.732 6.566 3.269 1.00 0.00 H new ATOM 0 HG SER A 118 -1.492 5.712 4.003 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.215 7.093 3.498 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.657 6.960 3.110 1.00 0.00 C ATOM 1848 C TYR A 119 -5.331 8.337 3.030 1.00 0.01 C ATOM 1849 O TYR A 119 -5.941 8.672 2.034 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.373 6.065 4.150 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.866 4.784 3.509 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.998 4.013 2.727 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.190 4.371 3.698 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.455 2.837 2.132 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.643 3.193 3.103 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.775 2.428 2.320 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.218 1.267 1.729 1.00 0.00 O ATOM 0 H TYR A 119 -2.938 6.574 4.332 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.725 6.502 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.689 5.829 4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.213 6.606 4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.975 4.328 2.584 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.860 4.963 4.304 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.787 2.243 1.526 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.664 2.873 3.248 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.190 1.309 1.613 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.229 9.137 4.047 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.872 10.477 3.977 1.00 0.01 C ATOM 1869 C ARG A 120 -5.260 11.223 2.808 1.00 0.00 C ATOM 1870 O ARG A 120 -5.937 11.889 2.058 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.631 11.233 5.281 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.444 10.564 6.389 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.222 11.296 7.718 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.592 10.395 8.862 1.00 0.01 N ATOM 1875 CZ ARG A 120 -7.744 9.773 8.907 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -8.705 10.074 8.076 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.958 8.883 9.837 1.00 0.01 N ATOM 0 H ARG A 120 -4.735 8.928 4.915 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.949 10.383 3.836 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.570 11.225 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.925 12.277 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.503 10.575 6.131 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -6.150 9.519 6.487 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -5.179 11.601 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.824 12.204 7.749 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.928 10.264 9.625 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -8.565 10.804 7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.596 9.579 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.231 8.676 10.522 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -8.852 8.394 9.879 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.985 11.098 2.624 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.354 11.782 1.478 1.00 0.01 C ATOM 1893 C ARG A 121 -3.810 11.089 0.193 1.00 0.01 C ATOM 1894 O ARG A 121 -4.087 11.730 -0.792 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.836 11.701 1.611 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.385 12.582 2.777 1.00 0.00 C ATOM 1897 CD ARG A 121 0.130 12.480 2.932 1.00 0.00 C ATOM 1898 NE ARG A 121 0.483 11.059 3.201 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.722 10.662 3.137 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.674 11.520 2.892 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.008 9.404 3.329 1.00 0.01 N ATOM 0 H ARG A 121 -3.355 10.555 3.214 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.646 12.832 1.453 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.528 10.669 1.779 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.360 12.029 0.687 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.675 13.618 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.878 12.267 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.628 12.829 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.471 13.116 3.749 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.251 10.391 3.437 1.00 0.01 H new ATOM 0 HH11 ARG A 121 2.449 12.505 2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.643 11.206 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.263 8.736 3.528 1.00 0.01 H new ATOM 0 HH22 ARG A 121 2.977 9.088 3.280 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.901 9.779 0.199 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.340 9.053 -1.026 1.00 0.01 C ATOM 1917 C PHE A 122 -5.735 9.533 -1.419 1.00 0.01 C ATOM 1918 O PHE A 122 -5.955 9.972 -2.519 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.375 7.527 -0.747 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.816 6.769 -1.923 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.438 6.622 -2.035 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.666 6.225 -2.890 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -1.895 5.926 -3.117 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.127 5.527 -3.976 1.00 0.00 C ATOM 1925 CZ PHE A 122 -2.739 5.378 -4.090 1.00 0.00 C ATOM 0 H PHE A 122 -3.689 9.186 1.001 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.640 9.251 -1.838 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.797 7.301 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.399 7.209 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.787 7.046 -1.285 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.736 6.343 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.825 5.811 -3.203 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -4.780 5.104 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.320 4.841 -4.928 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.675 9.464 -0.522 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.050 9.918 -0.861 1.00 0.00 C ATOM 1937 C LEU A 123 -7.982 11.375 -1.303 1.00 0.01 C ATOM 1938 O LEU A 123 -8.700 11.805 -2.184 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.940 9.802 0.381 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.045 8.332 0.817 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.722 8.253 2.191 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.866 7.530 -0.210 1.00 0.01 C ATOM 0 H LEU A 123 -6.552 9.114 0.428 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.465 9.304 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.527 10.402 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.932 10.198 0.166 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.043 7.907 0.877 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.797 7.211 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.131 8.807 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.721 8.686 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.933 6.490 0.110 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.868 7.952 -0.284 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.379 7.579 -1.184 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.121 12.138 -0.695 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.990 13.576 -1.064 1.00 0.01 C ATOM 1956 C LYS A 124 -5.844 13.750 -2.068 1.00 0.01 C ATOM 1957 O LYS A 124 -5.440 14.856 -2.370 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.689 14.385 0.201 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.743 14.083 1.279 1.00 0.01 C ATOM 1960 CD LYS A 124 -9.100 14.657 0.871 1.00 0.01 C ATOM 1961 CE LYS A 124 -10.031 14.659 2.081 1.00 0.01 C ATOM 1962 NZ LYS A 124 -9.507 15.605 3.104 1.00 0.01 N ATOM 0 H LYS A 124 -6.496 11.826 0.048 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.917 13.926 -1.518 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.695 14.138 0.573 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.687 15.450 -0.030 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.825 13.006 1.425 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.431 14.511 2.232 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -8.979 15.671 0.489 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -9.532 14.062 0.066 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -11.037 14.952 1.780 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -10.103 13.655 2.500 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -10.261 16.263 3.386 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -9.183 15.072 3.936 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.710 16.141 2.705 1.00 0.01 H new ATOM 1976 N SER A 125 -5.314 12.673 -2.590 1.00 0.00 N ATOM 1977 CA SER A 125 -4.192 12.795 -3.574 1.00 0.01 C ATOM 1978 C SER A 125 -4.760 13.084 -4.961 1.00 0.01 C ATOM 1979 O SER A 125 -5.925 12.868 -5.229 1.00 0.01 O ATOM 1980 CB SER A 125 -3.382 11.495 -3.632 1.00 0.01 C ATOM 1981 OG SER A 125 -2.568 11.387 -2.475 1.00 0.01 O ATOM 0 H SER A 125 -5.607 11.719 -2.380 1.00 0.00 H new ATOM 0 HA SER A 125 -3.540 13.609 -3.256 1.00 0.01 H new ATOM 0 HB2 SER A 125 -4.054 10.639 -3.697 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.761 11.482 -4.528 1.00 0.01 H new ATOM 0 HG SER A 125 -2.943 11.940 -1.758 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.937 13.567 -5.846 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.410 13.871 -7.223 1.00 0.01 C ATOM 1989 C ARG A 126 -4.836 12.575 -7.922 1.00 0.00 C ATOM 1990 O ARG A 126 -5.814 12.539 -8.642 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.260 14.500 -8.015 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.968 15.904 -7.486 1.00 0.01 C ATOM 1993 CD ARG A 126 -1.777 16.501 -8.243 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.534 15.750 -7.893 1.00 0.00 N ATOM 1995 CZ ARG A 126 0.549 15.906 -8.610 1.00 0.01 C ATOM 1996 NH1 ARG A 126 0.546 16.725 -9.626 1.00 0.01 N ATOM 1997 NH2 ARG A 126 1.634 15.247 -8.307 1.00 0.01 N ATOM 0 H ARG A 126 -2.951 13.765 -5.674 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.257 14.555 -7.172 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.368 13.879 -7.933 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.519 14.547 -9.073 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.845 16.539 -7.608 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.750 15.863 -6.419 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.954 16.451 -9.317 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.662 17.554 -7.988 1.00 0.01 H new ATOM 0 HE ARG A 126 -0.530 15.115 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.301 17.243 -9.861 1.00 0.01 H new ATOM 0 HH12 ARG A 126 1.390 16.847 -10.185 1.00 0.01 H new ATOM 0 HH21 ARG A 126 1.638 14.610 -7.511 1.00 0.01 H new ATOM 0 HH22 ARG A 126 2.478 15.369 -8.867 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.094 11.518 -7.730 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.435 10.231 -8.404 1.00 0.01 C ATOM 2013 C PHE A 127 -5.803 9.723 -7.944 1.00 0.01 C ATOM 2014 O PHE A 127 -6.650 9.392 -8.747 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.370 9.190 -8.063 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.021 9.700 -8.507 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.644 9.604 -9.852 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.152 10.280 -7.575 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.395 10.085 -10.263 1.00 0.01 C ATOM 2020 CE2 PHE A 127 0.096 10.761 -7.986 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.475 10.664 -9.329 1.00 0.00 C ATOM 0 H PHE A 127 -3.266 11.490 -7.135 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.470 10.398 -9.481 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.364 8.996 -6.991 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.596 8.245 -8.557 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.316 9.160 -10.571 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.445 10.356 -6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.102 10.010 -11.300 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.767 11.207 -7.266 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.438 11.035 -9.646 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.031 9.653 -6.664 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.349 9.156 -6.177 1.00 0.01 C ATOM 2033 C TYR A 128 -8.445 10.058 -6.716 1.00 0.01 C ATOM 2034 O TYR A 128 -9.417 9.605 -7.271 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.380 9.183 -4.657 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.686 8.611 -4.159 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.800 7.236 -3.921 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.778 9.457 -3.927 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.008 6.706 -3.450 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.986 8.926 -3.457 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.100 7.550 -3.220 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.290 7.028 -2.754 1.00 0.01 O ATOM 0 H TYR A 128 -5.367 9.916 -5.936 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.503 8.133 -6.521 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.545 8.607 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.262 10.206 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.957 6.585 -4.100 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.689 10.518 -4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.097 5.646 -3.264 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.829 9.577 -3.277 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.944 7.750 -2.647 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.289 11.339 -6.567 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.327 12.261 -7.092 1.00 0.01 C ATOM 2054 C LEU A 129 -9.440 12.048 -8.599 1.00 0.01 C ATOM 2055 O LEU A 129 -10.519 11.877 -9.130 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.917 13.706 -6.803 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.014 13.990 -5.297 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.334 15.329 -5.001 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.493 14.052 -4.853 1.00 0.01 C ATOM 0 H LEU A 129 -7.495 11.785 -6.108 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.287 12.063 -6.614 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.898 13.879 -7.149 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.561 14.392 -7.353 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.520 13.188 -4.748 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.397 15.541 -3.934 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.287 15.279 -5.300 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.833 16.122 -5.558 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.544 14.254 -3.783 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.003 14.847 -5.397 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.977 13.099 -5.065 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.335 12.041 -9.294 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.390 11.821 -10.763 1.00 0.91 C ATOM 2073 C ASP A 130 -9.023 10.451 -11.027 1.00 1.05 C ATOM 2074 O ASP A 130 -9.872 10.298 -11.879 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.974 11.866 -11.339 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.444 13.302 -11.270 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.256 14.211 -11.214 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -5.235 13.466 -11.271 1.00 3.36 O ATOM 0 H ASP A 130 -7.401 12.178 -8.908 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.987 12.599 -11.240 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.320 11.198 -10.779 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.978 11.517 -12.372 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.626 9.451 -10.281 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.221 8.096 -10.467 1.00 1.68 C ATOM 2085 C LEU A 131 -10.674 8.107 -9.977 1.00 2.00 C ATOM 2086 O LEU A 131 -11.541 7.482 -10.556 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.430 7.057 -9.665 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.043 6.835 -10.289 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.204 5.984 -9.329 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.172 6.118 -11.651 1.00 3.54 C ATOM 0 H LEU A 131 -7.916 9.516 -9.552 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.186 7.836 -11.525 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.321 7.391 -8.633 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.978 6.115 -9.639 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.560 7.798 -10.455 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.216 5.818 -9.759 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.103 6.503 -8.376 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.696 5.025 -9.169 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.181 5.969 -12.079 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.655 5.151 -11.509 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.771 6.727 -12.328 1.00 3.54 H new ATOM 2102 N THR A 132 -10.938 8.802 -8.897 1.00 2.68 N ATOM 2103 CA THR A 132 -12.325 8.857 -8.335 1.00 3.30 C ATOM 2104 C THR A 132 -12.986 10.183 -8.701 1.00 3.72 C ATOM 2105 O THR A 132 -13.331 10.971 -7.842 1.00 3.94 O ATOM 2106 CB THR A 132 -12.262 8.744 -6.802 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.737 9.953 -6.270 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.359 7.568 -6.376 1.00 4.63 C ATOM 0 H THR A 132 -10.245 9.339 -8.376 1.00 2.68 H new ATOM 0 HA THR A 132 -12.905 8.033 -8.749 1.00 3.30 H new ATOM 0 HB THR A 132 -13.268 8.566 -6.421 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.297 9.770 -5.413 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.329 7.507 -5.288 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.758 6.638 -6.780 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.351 7.727 -6.758 1.00 4.63 H new