USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 50 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 ASN : amide:sc= -7.26! K(o=-7.3!,f=-3.3) USER MOD Set 2.1: A 8 TYR OH : rot 37:sc= -0.112 USER MOD Set 2.2: A 40 TYR OH : rot 149:sc= 0.689 USER MOD Set 3.1: A 6 TYR OH : rot 180:sc= -0.0374 USER MOD Set 3.2: A 14 GLN : amide:sc= -1.79 K(o=-15,f=-17!) USER MOD Set 3.3: A 32 HIS : no HD1:sc= -9.31! C(o=-15!,f=-13!) USER MOD Set 3.4: A 36 HIS : no HE2:sc= -3.52 K(o=-15,f=-22!) USER MOD Single : A 1 GLU N :NH3+ -150:sc= 1.29 (180deg=0.603) USER MOD Single : A 2 SER OG : rot 29:sc= 1.02 USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= 0.012 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.89! C(o=-5.9!,f=-5.5!) USER MOD Single : A 17 SER OG : rot 84:sc= -1.7! USER MOD Single : A 18 SER OG : rot -41:sc= 0.221 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 23 GLN : amide:sc= -0.439 K(o=-0.44,f=-2.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -93:sc= 0.664 USER MOD Single : A 34 THR OG1 : rot -77:sc= 0.275 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 74:sc= -0.371 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -65:sc= 1.01 USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -0.0367 (180deg=-0.0914) USER MOD Single : A 48 GLN : amide:sc= -9.79! C(o=-9.8!,f=-14!) USER MOD Single : A 49 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.27) USER MOD Single : A 53 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-1.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.65! C(o=-5.6!,f=-6.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 104:sc= 0.473 USER MOD Single : A 68 GLN : amide:sc= -0.339 K(o=-0.34,f=-3.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.741 K(o=-0.74,f=-0.12) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc=-0.00379 X(o=-0.0038,f=-0.19) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 17.662 6.641 -6.526 1.00 0.00 N ATOM 2 CA GLU A 1 17.937 7.872 -7.317 1.00 0.00 C ATOM 3 C GLU A 1 16.614 8.500 -7.762 1.00 0.00 C ATOM 4 O GLU A 1 16.318 9.635 -7.444 1.00 0.00 O ATOM 5 CB GLU A 1 18.773 7.512 -8.548 1.00 0.00 C ATOM 6 CG GLU A 1 20.223 7.271 -8.124 1.00 0.00 C ATOM 7 CD GLU A 1 21.169 7.905 -9.147 1.00 0.00 C ATOM 8 OE1 GLU A 1 21.273 7.371 -10.239 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.771 8.914 -8.820 1.00 0.00 O ATOM 0 H1 GLU A 1 18.420 6.500 -5.828 1.00 0.00 H new ATOM 0 H2 GLU A 1 16.752 6.741 -6.033 1.00 0.00 H new ATOM 0 H3 GLU A 1 17.621 5.820 -7.164 1.00 0.00 H new ATOM 0 HA GLU A 1 18.487 8.584 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.370 6.620 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 1 18.726 8.317 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 1 20.400 7.698 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 1 20.417 6.201 -8.048 1.00 0.00 H new ATOM 18 N SER A 2 15.814 7.771 -8.491 1.00 0.00 N ATOM 19 CA SER A 2 14.511 8.331 -8.950 1.00 0.00 C ATOM 20 C SER A 2 13.571 7.187 -9.336 1.00 0.00 C ATOM 21 O SER A 2 13.977 6.048 -9.452 1.00 0.00 O ATOM 22 CB SER A 2 14.740 9.233 -10.161 1.00 0.00 C ATOM 23 OG SER A 2 15.052 10.547 -9.716 1.00 0.00 O ATOM 0 H SER A 2 16.005 6.814 -8.788 1.00 0.00 H new ATOM 0 HA SER A 2 14.063 8.913 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.553 8.841 -10.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.849 9.251 -10.789 1.00 0.00 H new ATOM 0 HG SER A 2 15.494 10.500 -8.843 1.00 0.00 H new ATOM 29 N LYS A 3 12.313 7.480 -9.533 1.00 0.00 N ATOM 30 CA LYS A 3 11.348 6.414 -9.905 1.00 0.00 C ATOM 31 C LYS A 3 10.581 6.831 -11.166 1.00 0.00 C ATOM 32 O LYS A 3 9.391 7.067 -11.114 1.00 0.00 O ATOM 33 CB LYS A 3 10.361 6.211 -8.757 1.00 0.00 C ATOM 34 CG LYS A 3 9.889 7.571 -8.237 1.00 0.00 C ATOM 35 CD LYS A 3 10.457 7.811 -6.838 1.00 0.00 C ATOM 36 CE LYS A 3 9.800 9.050 -6.227 1.00 0.00 C ATOM 37 NZ LYS A 3 10.852 9.958 -5.687 1.00 0.00 N ATOM 0 H LYS A 3 11.915 8.415 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 3 11.886 5.486 -10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.508 5.625 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.834 5.648 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.213 8.362 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.800 7.603 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.276 6.941 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.537 7.948 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.209 9.570 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.115 8.756 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.454 10.910 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.190 9.593 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.647 10.005 -6.356 1.00 0.00 H new ATOM 51 N PRO A 4 11.292 6.904 -12.262 1.00 0.00 N ATOM 52 CA PRO A 4 10.710 7.288 -13.561 1.00 0.00 C ATOM 53 C PRO A 4 9.812 6.191 -14.189 1.00 0.00 C ATOM 54 O PRO A 4 8.879 6.528 -14.890 1.00 0.00 O ATOM 55 CB PRO A 4 11.934 7.589 -14.433 1.00 0.00 C ATOM 56 CG PRO A 4 13.132 6.860 -13.781 1.00 0.00 C ATOM 57 CD PRO A 4 12.743 6.617 -12.307 1.00 0.00 C ATOM 0 HA PRO A 4 10.034 8.137 -13.459 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.777 7.240 -15.454 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.117 8.662 -14.487 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.337 5.918 -14.289 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.038 7.463 -13.850 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.956 5.592 -12.003 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.299 7.271 -11.635 1.00 0.00 H new ATOM 65 N PRO A 5 10.086 4.921 -13.948 1.00 0.00 N ATOM 66 CA PRO A 5 9.264 3.838 -14.522 1.00 0.00 C ATOM 67 C PRO A 5 7.935 3.700 -13.772 1.00 0.00 C ATOM 68 O PRO A 5 6.877 3.940 -14.319 1.00 0.00 O ATOM 69 CB PRO A 5 10.122 2.585 -14.335 1.00 0.00 C ATOM 70 CG PRO A 5 11.103 2.902 -13.187 1.00 0.00 C ATOM 71 CD PRO A 5 11.204 4.434 -13.109 1.00 0.00 C ATOM 0 HA PRO A 5 9.003 4.020 -15.564 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.503 1.722 -14.091 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.660 2.342 -15.251 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.744 2.489 -12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.080 2.458 -13.378 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.112 4.786 -12.082 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.165 4.788 -13.483 1.00 0.00 H new ATOM 79 N TYR A 6 7.980 3.304 -12.530 1.00 0.00 N ATOM 80 CA TYR A 6 6.716 3.139 -11.756 1.00 0.00 C ATOM 81 C TYR A 6 6.268 4.477 -11.185 1.00 0.00 C ATOM 82 O TYR A 6 7.050 5.250 -10.667 1.00 0.00 O ATOM 83 CB TYR A 6 6.934 2.144 -10.621 1.00 0.00 C ATOM 84 CG TYR A 6 7.286 0.797 -11.202 1.00 0.00 C ATOM 85 CD1 TYR A 6 6.830 0.432 -12.478 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.072 -0.086 -10.463 1.00 0.00 C ATOM 87 CE1 TYR A 6 7.166 -0.818 -13.008 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.409 -1.338 -10.992 1.00 0.00 C ATOM 89 CZ TYR A 6 7.956 -1.703 -12.266 1.00 0.00 C ATOM 90 OH TYR A 6 8.289 -2.936 -12.788 1.00 0.00 O ATOM 0 H TYR A 6 8.835 3.088 -12.018 1.00 0.00 H new ATOM 0 HA TYR A 6 5.941 2.764 -12.424 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.733 2.491 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.034 2.066 -10.012 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.220 1.116 -13.050 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.422 0.196 -9.481 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.816 -1.100 -13.990 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.018 -2.021 -10.418 1.00 0.00 H new ATOM 0 HH TYR A 6 8.842 -3.425 -12.144 1.00 0.00 H new ATOM 100 N SER A 7 5.002 4.743 -11.285 1.00 0.00 N ATOM 101 CA SER A 7 4.454 6.016 -10.765 1.00 0.00 C ATOM 102 C SER A 7 3.652 5.722 -9.501 1.00 0.00 C ATOM 103 O SER A 7 3.761 4.662 -8.924 1.00 0.00 O ATOM 104 CB SER A 7 3.543 6.614 -11.827 1.00 0.00 C ATOM 105 OG SER A 7 4.010 7.911 -12.177 1.00 0.00 O ATOM 0 H SER A 7 4.314 4.122 -11.712 1.00 0.00 H new ATOM 0 HA SER A 7 5.255 6.717 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.524 5.973 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.521 6.673 -11.453 1.00 0.00 H new ATOM 0 HG SER A 7 3.424 8.296 -12.862 1.00 0.00 H new ATOM 111 N TYR A 8 2.838 6.639 -9.067 1.00 0.00 N ATOM 112 CA TYR A 8 2.034 6.381 -7.845 1.00 0.00 C ATOM 113 C TYR A 8 0.619 5.981 -8.257 1.00 0.00 C ATOM 114 O TYR A 8 -0.364 6.411 -7.688 1.00 0.00 O ATOM 115 CB TYR A 8 2.015 7.634 -6.976 1.00 0.00 C ATOM 116 CG TYR A 8 3.350 7.754 -6.284 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.934 6.627 -5.686 1.00 0.00 C ATOM 118 CD2 TYR A 8 4.011 8.985 -6.247 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.176 6.736 -5.054 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.255 9.093 -5.615 1.00 0.00 C ATOM 121 CZ TYR A 8 5.838 7.970 -5.019 1.00 0.00 C ATOM 122 OH TYR A 8 7.063 8.076 -4.395 1.00 0.00 O ATOM 0 H TYR A 8 2.695 7.550 -9.502 1.00 0.00 H new ATOM 0 HA TYR A 8 2.474 5.569 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.824 8.516 -7.587 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.211 7.574 -6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.424 5.675 -5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.562 9.853 -6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.625 5.869 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.765 10.044 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 8 7.580 7.258 -4.549 1.00 0.00 H new ATOM 132 N ALA A 9 0.531 5.143 -9.250 1.00 0.00 N ATOM 133 CA ALA A 9 -0.790 4.664 -9.741 1.00 0.00 C ATOM 134 C ALA A 9 -0.564 3.349 -10.484 1.00 0.00 C ATOM 135 O ALA A 9 -1.284 2.387 -10.310 1.00 0.00 O ATOM 136 CB ALA A 9 -1.394 5.698 -10.692 1.00 0.00 C ATOM 0 H ALA A 9 1.334 4.763 -9.751 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.476 4.517 -8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.361 5.343 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.526 6.643 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.726 5.846 -11.541 1.00 0.00 H new ATOM 142 N GLN A 10 0.469 3.296 -11.279 1.00 0.00 N ATOM 143 CA GLN A 10 0.804 2.044 -12.010 1.00 0.00 C ATOM 144 C GLN A 10 1.644 1.205 -11.065 1.00 0.00 C ATOM 145 O GLN A 10 1.603 -0.009 -11.069 1.00 0.00 O ATOM 146 CB GLN A 10 1.613 2.379 -13.262 1.00 0.00 C ATOM 147 CG GLN A 10 2.057 1.084 -13.940 1.00 0.00 C ATOM 148 CD GLN A 10 3.584 1.036 -14.007 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.212 0.279 -13.293 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.214 1.818 -14.841 1.00 0.00 N ATOM 0 H GLN A 10 1.102 4.077 -11.454 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.096 1.512 -12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.011 2.974 -13.949 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.483 2.980 -12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.680 0.224 -13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.637 1.025 -14.944 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.688 2.454 -15.441 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.232 1.793 -14.893 1.00 0.00 H new ATOM 159 N LEU A 11 2.382 1.866 -10.218 1.00 0.00 N ATOM 160 CA LEU A 11 3.204 1.147 -9.222 1.00 0.00 C ATOM 161 C LEU A 11 2.261 0.245 -8.438 1.00 0.00 C ATOM 162 O LEU A 11 2.593 -0.861 -8.060 1.00 0.00 O ATOM 163 CB LEU A 11 3.841 2.182 -8.296 1.00 0.00 C ATOM 164 CG LEU A 11 4.404 1.510 -7.051 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.909 1.354 -7.210 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.113 2.392 -5.840 1.00 0.00 C ATOM 0 H LEU A 11 2.447 2.883 -10.178 1.00 0.00 H new ATOM 0 HA LEU A 11 3.992 0.554 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.636 2.709 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.099 2.928 -8.010 1.00 0.00 H new ATOM 0 HG LEU A 11 3.946 0.531 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.321 0.873 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.121 0.741 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.365 2.336 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.512 1.920 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.583 3.366 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.036 2.521 -5.734 1.00 0.00 H new ATOM 178 N ILE A 12 1.066 0.718 -8.225 1.00 0.00 N ATOM 179 CA ILE A 12 0.046 -0.089 -7.500 1.00 0.00 C ATOM 180 C ILE A 12 -0.495 -1.138 -8.463 1.00 0.00 C ATOM 181 O ILE A 12 -0.517 -2.319 -8.179 1.00 0.00 O ATOM 182 CB ILE A 12 -1.113 0.809 -7.071 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.578 2.128 -6.501 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.954 0.084 -6.019 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.134 1.868 -5.175 1.00 0.00 C ATOM 0 H ILE A 12 0.749 1.640 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 12 0.496 -0.551 -6.621 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.734 1.033 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.110 2.588 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.399 2.830 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.782 0.723 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.347 -0.841 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.333 -0.148 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.512 2.809 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.567 1.427 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.966 1.182 -5.337 1.00 0.00 H new ATOM 197 N VAL A 13 -0.929 -0.699 -9.611 1.00 0.00 N ATOM 198 CA VAL A 13 -1.472 -1.640 -10.620 1.00 0.00 C ATOM 199 C VAL A 13 -0.463 -2.757 -10.835 1.00 0.00 C ATOM 200 O VAL A 13 -0.756 -3.921 -10.645 1.00 0.00 O ATOM 201 CB VAL A 13 -1.678 -0.888 -11.935 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.988 -1.884 -13.053 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.835 0.099 -11.777 1.00 0.00 C ATOM 0 H VAL A 13 -0.929 0.281 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.421 -2.055 -10.280 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.771 -0.340 -12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.135 -1.346 -13.989 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.156 -2.580 -13.161 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.894 -2.437 -12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.985 0.637 -12.713 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.745 -0.445 -11.521 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.602 0.809 -10.984 1.00 0.00 H new ATOM 213 N GLN A 14 0.732 -2.412 -11.217 1.00 0.00 N ATOM 214 CA GLN A 14 1.763 -3.454 -11.428 1.00 0.00 C ATOM 215 C GLN A 14 1.998 -4.182 -10.101 1.00 0.00 C ATOM 216 O GLN A 14 2.371 -5.335 -10.070 1.00 0.00 O ATOM 217 CB GLN A 14 3.055 -2.796 -11.942 1.00 0.00 C ATOM 218 CG GLN A 14 3.920 -2.304 -10.778 1.00 0.00 C ATOM 219 CD GLN A 14 5.106 -3.252 -10.613 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.460 -3.620 -9.511 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.739 -3.665 -11.677 1.00 0.00 N ATOM 0 H GLN A 14 1.037 -1.454 -11.391 1.00 0.00 H new ATOM 0 HA GLN A 14 1.435 -4.179 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.618 -3.511 -12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.807 -1.959 -12.594 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.271 -1.290 -10.970 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.334 -2.269 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.440 -3.354 -12.601 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.533 -4.298 -11.584 1.00 0.00 H new ATOM 230 N ALA A 15 1.764 -3.513 -9.002 1.00 0.00 N ATOM 231 CA ALA A 15 1.954 -4.166 -7.678 1.00 0.00 C ATOM 232 C ALA A 15 0.857 -5.212 -7.466 1.00 0.00 C ATOM 233 O ALA A 15 1.123 -6.341 -7.106 1.00 0.00 O ATOM 234 CB ALA A 15 1.869 -3.113 -6.568 1.00 0.00 C ATOM 0 H ALA A 15 1.450 -2.543 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 15 2.932 -4.647 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.008 -3.593 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.647 -2.364 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.891 -2.632 -6.597 1.00 0.00 H new ATOM 240 N ILE A 16 -0.377 -4.840 -7.684 1.00 0.00 N ATOM 241 CA ILE A 16 -1.500 -5.815 -7.483 1.00 0.00 C ATOM 242 C ILE A 16 -1.675 -6.686 -8.729 1.00 0.00 C ATOM 243 O ILE A 16 -1.674 -7.899 -8.654 1.00 0.00 O ATOM 244 CB ILE A 16 -2.830 -5.089 -7.204 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.628 -3.569 -7.190 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.374 -5.540 -5.849 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.825 -2.885 -6.521 1.00 0.00 C ATOM 0 H ILE A 16 -0.659 -3.909 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.243 -6.434 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.537 -5.338 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.712 -3.321 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.511 -3.200 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.315 -5.029 -5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.542 -6.617 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.654 -5.296 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.671 -1.806 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.734 -3.120 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.922 -3.242 -5.496 1.00 0.00 H new ATOM 259 N SER A 17 -1.845 -6.082 -9.870 1.00 0.00 N ATOM 260 CA SER A 17 -2.043 -6.880 -11.113 1.00 0.00 C ATOM 261 C SER A 17 -0.897 -7.879 -11.286 1.00 0.00 C ATOM 262 O SER A 17 -1.077 -8.949 -11.833 1.00 0.00 O ATOM 263 CB SER A 17 -2.087 -5.942 -12.317 1.00 0.00 C ATOM 264 OG SER A 17 -2.585 -4.675 -11.907 1.00 0.00 O ATOM 0 H SER A 17 -1.856 -5.070 -9.997 1.00 0.00 H new ATOM 0 HA SER A 17 -2.983 -7.427 -11.039 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.090 -5.833 -12.744 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.724 -6.361 -13.096 1.00 0.00 H new ATOM 0 HG SER A 17 -1.853 -4.141 -11.534 1.00 0.00 H new ATOM 270 N SER A 18 0.279 -7.547 -10.832 1.00 0.00 N ATOM 271 CA SER A 18 1.422 -8.492 -10.985 1.00 0.00 C ATOM 272 C SER A 18 1.374 -9.544 -9.875 1.00 0.00 C ATOM 273 O SER A 18 2.174 -10.458 -9.841 1.00 0.00 O ATOM 274 CB SER A 18 2.741 -7.724 -10.908 1.00 0.00 C ATOM 275 OG SER A 18 3.800 -8.564 -11.348 1.00 0.00 O ATOM 0 H SER A 18 0.499 -6.668 -10.364 1.00 0.00 H new ATOM 0 HA SER A 18 1.350 -8.987 -11.954 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.690 -6.829 -11.527 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.924 -7.394 -9.885 1.00 0.00 H new ATOM 0 HG SER A 18 3.671 -9.467 -10.991 1.00 0.00 H new ATOM 281 N ALA A 19 0.440 -9.432 -8.968 1.00 0.00 N ATOM 282 CA ALA A 19 0.348 -10.437 -7.874 1.00 0.00 C ATOM 283 C ALA A 19 -0.674 -11.507 -8.264 1.00 0.00 C ATOM 284 O ALA A 19 -1.549 -11.268 -9.071 1.00 0.00 O ATOM 285 CB ALA A 19 -0.098 -9.746 -6.583 1.00 0.00 C ATOM 0 H ALA A 19 -0.260 -8.690 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 19 1.322 -10.901 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.166 -10.481 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.627 -8.979 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.074 -9.285 -6.736 1.00 0.00 H new ATOM 291 N GLN A 20 -0.573 -12.684 -7.703 1.00 0.00 N ATOM 292 CA GLN A 20 -1.549 -13.754 -8.058 1.00 0.00 C ATOM 293 C GLN A 20 -2.958 -13.152 -8.069 1.00 0.00 C ATOM 294 O GLN A 20 -3.583 -13.036 -9.105 1.00 0.00 O ATOM 295 CB GLN A 20 -1.466 -14.894 -7.034 1.00 0.00 C ATOM 296 CG GLN A 20 -2.711 -15.780 -7.144 1.00 0.00 C ATOM 297 CD GLN A 20 -2.363 -17.207 -6.714 1.00 0.00 C ATOM 298 OE1 GLN A 20 -1.517 -17.408 -5.865 1.00 0.00 O ATOM 299 NE2 GLN A 20 -2.984 -18.212 -7.268 1.00 0.00 N ATOM 0 H GLN A 20 0.137 -12.948 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.317 -14.157 -9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.569 -15.488 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.387 -14.486 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.509 -15.384 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.082 -15.778 -8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.694 -18.043 -7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.759 -19.167 -6.989 1.00 0.00 H new ATOM 308 N ASP A 21 -3.459 -12.755 -6.931 1.00 0.00 N ATOM 309 CA ASP A 21 -4.816 -12.145 -6.890 1.00 0.00 C ATOM 310 C ASP A 21 -4.681 -10.627 -7.057 1.00 0.00 C ATOM 311 O ASP A 21 -3.953 -9.985 -6.328 1.00 0.00 O ATOM 312 CB ASP A 21 -5.480 -12.457 -5.546 1.00 0.00 C ATOM 313 CG ASP A 21 -5.621 -13.971 -5.381 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.380 -14.560 -6.132 1.00 0.00 O ATOM 315 OD2 ASP A 21 -4.969 -14.516 -4.505 1.00 0.00 O ATOM 0 H ASP A 21 -2.987 -12.827 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.429 -12.553 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.884 -12.046 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.460 -11.983 -5.495 1.00 0.00 H new ATOM 320 N ARG A 22 -5.363 -10.045 -8.010 1.00 0.00 N ATOM 321 CA ARG A 22 -5.256 -8.570 -8.210 1.00 0.00 C ATOM 322 C ARG A 22 -5.855 -7.835 -7.004 1.00 0.00 C ATOM 323 O ARG A 22 -6.784 -7.061 -7.134 1.00 0.00 O ATOM 324 CB ARG A 22 -6.018 -8.174 -9.477 1.00 0.00 C ATOM 325 CG ARG A 22 -7.425 -8.774 -9.435 1.00 0.00 C ATOM 326 CD ARG A 22 -8.272 -8.164 -10.554 1.00 0.00 C ATOM 327 NE ARG A 22 -9.611 -8.821 -10.578 1.00 0.00 N ATOM 328 CZ ARG A 22 -9.706 -10.117 -10.451 1.00 0.00 C ATOM 329 NH1 ARG A 22 -8.894 -10.899 -11.109 1.00 0.00 N ATOM 330 NH2 ARG A 22 -10.614 -10.631 -9.667 1.00 0.00 N ATOM 0 H ARG A 22 -5.988 -10.527 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.206 -8.296 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.076 -7.088 -9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.486 -8.529 -10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.374 -9.857 -9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.887 -8.579 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.384 -7.091 -10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.774 -8.295 -11.515 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.453 -8.257 -10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.185 -10.498 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.969 -11.911 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.249 -10.020 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.688 -11.643 -9.568 1.00 0.00 H new ATOM 344 N GLN A 23 -5.325 -8.068 -5.833 1.00 0.00 N ATOM 345 CA GLN A 23 -5.855 -7.383 -4.620 1.00 0.00 C ATOM 346 C GLN A 23 -4.780 -7.377 -3.533 1.00 0.00 C ATOM 347 O GLN A 23 -4.442 -8.401 -2.974 1.00 0.00 O ATOM 348 CB GLN A 23 -7.093 -8.124 -4.110 1.00 0.00 C ATOM 349 CG GLN A 23 -6.704 -9.540 -3.683 1.00 0.00 C ATOM 350 CD GLN A 23 -7.926 -10.454 -3.788 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.825 -10.198 -4.563 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.998 -11.519 -3.036 1.00 0.00 N ATOM 0 H GLN A 23 -4.546 -8.705 -5.665 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.127 -6.358 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.530 -7.587 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.852 -8.165 -4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.900 -9.915 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.328 -9.533 -2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.244 -11.735 -2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.809 -12.135 -3.100 1.00 0.00 H new ATOM 361 N LEU A 24 -4.234 -6.229 -3.232 1.00 0.00 N ATOM 362 CA LEU A 24 -3.177 -6.158 -2.189 1.00 0.00 C ATOM 363 C LEU A 24 -3.701 -5.409 -0.967 1.00 0.00 C ATOM 364 O LEU A 24 -4.667 -4.679 -1.041 1.00 0.00 O ATOM 365 CB LEU A 24 -1.972 -5.405 -2.745 1.00 0.00 C ATOM 366 CG LEU A 24 -1.222 -6.305 -3.723 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.147 -5.491 -4.440 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.567 -7.451 -2.951 1.00 0.00 C ATOM 0 H LEU A 24 -4.476 -5.338 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.891 -7.170 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.298 -4.494 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.312 -5.102 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.918 -6.710 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.390 -6.133 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.615 -4.671 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.552 -5.087 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.030 -8.097 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.131 -7.045 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.335 -8.029 -2.437 1.00 0.00 H new ATOM 380 N THR A 25 -3.049 -5.562 0.151 1.00 0.00 N ATOM 381 CA THR A 25 -3.489 -4.833 1.371 1.00 0.00 C ATOM 382 C THR A 25 -2.734 -3.504 1.420 1.00 0.00 C ATOM 383 O THR A 25 -1.806 -3.287 0.667 1.00 0.00 O ATOM 384 CB THR A 25 -3.168 -5.659 2.621 1.00 0.00 C ATOM 385 OG1 THR A 25 -3.145 -4.807 3.756 1.00 0.00 O ATOM 386 CG2 THR A 25 -1.805 -6.333 2.464 1.00 0.00 C ATOM 0 H THR A 25 -2.231 -6.160 0.272 1.00 0.00 H new ATOM 0 HA THR A 25 -4.565 -4.661 1.341 1.00 0.00 H new ATOM 0 HB THR A 25 -3.933 -6.424 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.942 -5.334 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.584 -6.918 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.822 -6.990 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.036 -5.572 2.329 1.00 0.00 H new ATOM 394 N LEU A 26 -3.116 -2.611 2.286 1.00 0.00 N ATOM 395 CA LEU A 26 -2.393 -1.305 2.342 1.00 0.00 C ATOM 396 C LEU A 26 -0.891 -1.574 2.434 1.00 0.00 C ATOM 397 O LEU A 26 -0.106 -1.013 1.697 1.00 0.00 O ATOM 398 CB LEU A 26 -2.839 -0.486 3.561 1.00 0.00 C ATOM 399 CG LEU A 26 -3.407 0.853 3.086 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.539 1.287 4.016 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.302 1.912 3.101 1.00 0.00 C ATOM 0 H LEU A 26 -3.884 -2.721 2.949 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.622 -0.735 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.592 -1.034 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.995 -0.320 4.231 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.792 0.743 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.943 2.241 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.328 0.535 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.155 1.396 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.707 2.866 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.916 2.021 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.494 1.605 2.437 1.00 0.00 H new ATOM 413 N SER A 27 -0.486 -2.430 3.329 1.00 0.00 N ATOM 414 CA SER A 27 0.967 -2.733 3.463 1.00 0.00 C ATOM 415 C SER A 27 1.330 -3.930 2.581 1.00 0.00 C ATOM 416 O SER A 27 2.278 -4.641 2.847 1.00 0.00 O ATOM 417 CB SER A 27 1.281 -3.066 4.922 1.00 0.00 C ATOM 418 OG SER A 27 1.726 -1.891 5.588 1.00 0.00 O ATOM 0 H SER A 27 -1.097 -2.933 3.973 1.00 0.00 H new ATOM 0 HA SER A 27 1.547 -1.865 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.394 -3.463 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.048 -3.839 4.973 1.00 0.00 H new ATOM 0 HG SER A 27 1.926 -2.101 6.524 1.00 0.00 H new ATOM 424 N GLY A 28 0.599 -4.148 1.523 1.00 0.00 N ATOM 425 CA GLY A 28 0.923 -5.288 0.619 1.00 0.00 C ATOM 426 C GLY A 28 1.635 -4.724 -0.599 1.00 0.00 C ATOM 427 O GLY A 28 2.689 -5.173 -1.004 1.00 0.00 O ATOM 0 H GLY A 28 -0.207 -3.588 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.556 -6.013 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.014 -5.811 0.322 1.00 0.00 H new ATOM 431 N ILE A 29 1.043 -3.721 -1.169 1.00 0.00 N ATOM 432 CA ILE A 29 1.617 -3.058 -2.357 1.00 0.00 C ATOM 433 C ILE A 29 3.038 -2.604 -2.047 1.00 0.00 C ATOM 434 O ILE A 29 3.914 -2.636 -2.888 1.00 0.00 O ATOM 435 CB ILE A 29 0.739 -1.862 -2.676 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.152 -1.276 -4.037 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.860 -0.834 -1.549 1.00 0.00 C ATOM 438 CD1 ILE A 29 1.899 0.041 -3.851 1.00 0.00 C ATOM 0 H ILE A 29 0.160 -3.324 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 29 1.654 -3.738 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.307 -2.161 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.785 -1.987 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.267 -1.115 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.231 0.028 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.538 -1.284 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.898 -0.512 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.182 0.439 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.254 0.756 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.795 -0.130 -3.254 1.00 0.00 H new ATOM 450 N TYR A 30 3.269 -2.186 -0.841 1.00 0.00 N ATOM 451 CA TYR A 30 4.636 -1.732 -0.459 1.00 0.00 C ATOM 452 C TYR A 30 5.588 -2.926 -0.460 1.00 0.00 C ATOM 453 O TYR A 30 6.636 -2.896 -1.073 1.00 0.00 O ATOM 454 CB TYR A 30 4.593 -1.104 0.933 1.00 0.00 C ATOM 455 CG TYR A 30 3.449 -0.133 0.968 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.172 0.638 -0.158 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.650 -0.023 2.106 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.095 1.522 -0.155 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.571 0.867 2.116 1.00 0.00 C ATOM 460 CZ TYR A 30 1.291 1.639 0.983 1.00 0.00 C ATOM 461 OH TYR A 30 0.224 2.514 0.986 1.00 0.00 O ATOM 0 H TYR A 30 2.572 -2.137 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 30 4.989 -0.991 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.464 -1.873 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.532 -0.595 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.794 0.550 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.864 -0.624 2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.881 2.116 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.954 0.958 2.998 1.00 0.00 H new ATOM 0 HH TYR A 30 0.510 3.377 1.351 1.00 0.00 H new ATOM 471 N ALA A 31 5.230 -3.981 0.215 1.00 0.00 N ATOM 472 CA ALA A 31 6.114 -5.177 0.240 1.00 0.00 C ATOM 473 C ALA A 31 6.234 -5.737 -1.178 1.00 0.00 C ATOM 474 O ALA A 31 7.089 -6.552 -1.465 1.00 0.00 O ATOM 475 CB ALA A 31 5.513 -6.239 1.165 1.00 0.00 C ATOM 0 H ALA A 31 4.365 -4.067 0.749 1.00 0.00 H new ATOM 0 HA ALA A 31 7.101 -4.899 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.161 -7.115 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.422 -5.834 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.527 -6.525 0.799 1.00 0.00 H new ATOM 481 N HIS A 32 5.383 -5.302 -2.071 1.00 0.00 N ATOM 482 CA HIS A 32 5.444 -5.803 -3.470 1.00 0.00 C ATOM 483 C HIS A 32 6.597 -5.119 -4.213 1.00 0.00 C ATOM 484 O HIS A 32 7.553 -5.751 -4.616 1.00 0.00 O ATOM 485 CB HIS A 32 4.122 -5.485 -4.174 1.00 0.00 C ATOM 486 CG HIS A 32 4.235 -5.845 -5.629 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.568 -6.929 -6.175 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.940 -5.280 -6.663 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.883 -6.984 -7.481 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.716 -6.000 -7.832 1.00 0.00 N ATOM 0 H HIS A 32 4.648 -4.619 -1.888 1.00 0.00 H new ATOM 0 HA HIS A 32 5.609 -6.880 -3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.307 -6.042 -3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.885 -4.426 -4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.573 -4.409 -6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.508 -7.733 -8.163 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.104 -5.816 -8.757 1.00 0.00 H new ATOM 498 N ILE A 33 6.503 -3.831 -4.404 1.00 0.00 N ATOM 499 CA ILE A 33 7.581 -3.096 -5.130 1.00 0.00 C ATOM 500 C ILE A 33 8.938 -3.350 -4.462 1.00 0.00 C ATOM 501 O ILE A 33 9.921 -3.629 -5.118 1.00 0.00 O ATOM 502 CB ILE A 33 7.272 -1.594 -5.109 1.00 0.00 C ATOM 503 CG1 ILE A 33 8.092 -0.898 -6.210 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.620 -1.012 -3.732 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.376 0.563 -5.835 1.00 0.00 C ATOM 0 H ILE A 33 5.724 -3.253 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 33 7.624 -3.450 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 33 6.210 -1.430 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.032 -1.429 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.549 -0.937 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.399 0.055 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.029 -1.513 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.680 -1.165 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.957 1.036 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.434 1.096 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.940 0.596 -4.903 1.00 0.00 H new ATOM 517 N THR A 34 9.000 -3.242 -3.165 1.00 0.00 N ATOM 518 CA THR A 34 10.296 -3.458 -2.456 1.00 0.00 C ATOM 519 C THR A 34 10.829 -4.869 -2.734 1.00 0.00 C ATOM 520 O THR A 34 11.961 -5.182 -2.425 1.00 0.00 O ATOM 521 CB THR A 34 10.091 -3.277 -0.950 1.00 0.00 C ATOM 522 OG1 THR A 34 9.145 -4.229 -0.484 1.00 0.00 O ATOM 523 CG2 THR A 34 9.575 -1.864 -0.669 1.00 0.00 C ATOM 0 H THR A 34 8.209 -3.013 -2.562 1.00 0.00 H new ATOM 0 HA THR A 34 11.021 -2.730 -2.819 1.00 0.00 H new ATOM 0 HB THR A 34 11.040 -3.424 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.241 -3.939 -0.729 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.429 -1.736 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.301 -1.134 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.626 -1.714 -1.184 1.00 0.00 H new ATOM 531 N LYS A 35 10.030 -5.727 -3.310 1.00 0.00 N ATOM 532 CA LYS A 35 10.507 -7.111 -3.596 1.00 0.00 C ATOM 533 C LYS A 35 11.443 -7.104 -4.809 1.00 0.00 C ATOM 534 O LYS A 35 12.517 -7.671 -4.778 1.00 0.00 O ATOM 535 CB LYS A 35 9.307 -8.014 -3.888 1.00 0.00 C ATOM 536 CG LYS A 35 9.389 -9.270 -3.020 1.00 0.00 C ATOM 537 CD LYS A 35 8.711 -10.436 -3.742 1.00 0.00 C ATOM 538 CE LYS A 35 9.773 -11.429 -4.222 1.00 0.00 C ATOM 539 NZ LYS A 35 10.333 -10.965 -5.522 1.00 0.00 N ATOM 0 H LYS A 35 9.070 -5.530 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 35 11.049 -7.487 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.379 -7.480 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.293 -8.289 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.431 -9.514 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.905 -9.093 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.010 -10.933 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.134 -10.066 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.568 -11.515 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.335 -12.421 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.055 -11.639 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.571 -10.905 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.765 -10.027 -5.399 1.00 0.00 H new ATOM 553 N HIS A 36 11.042 -6.478 -5.883 1.00 0.00 N ATOM 554 CA HIS A 36 11.909 -6.453 -7.097 1.00 0.00 C ATOM 555 C HIS A 36 12.567 -5.078 -7.247 1.00 0.00 C ATOM 556 O HIS A 36 13.474 -4.899 -8.034 1.00 0.00 O ATOM 557 CB HIS A 36 11.058 -6.747 -8.334 1.00 0.00 C ATOM 558 CG HIS A 36 9.724 -6.065 -8.203 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.477 -4.817 -8.753 1.00 0.00 N ATOM 560 CD2 HIS A 36 8.556 -6.444 -7.590 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.203 -4.493 -8.463 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.597 -5.449 -7.756 1.00 0.00 N ATOM 0 H HIS A 36 10.154 -5.984 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 36 12.687 -7.210 -6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.570 -6.398 -9.231 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.919 -7.822 -8.445 1.00 0.00 H new ATOM 0 HD1 HIS A 36 10.139 -4.248 -9.281 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.404 -7.373 -7.060 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.729 -3.571 -8.766 1.00 0.00 H new ATOM 570 N TYR A 37 12.121 -4.104 -6.502 1.00 0.00 N ATOM 571 CA TYR A 37 12.727 -2.747 -6.613 1.00 0.00 C ATOM 572 C TYR A 37 13.597 -2.470 -5.379 1.00 0.00 C ATOM 573 O TYR A 37 13.080 -2.261 -4.300 1.00 0.00 O ATOM 574 CB TYR A 37 11.614 -1.701 -6.692 1.00 0.00 C ATOM 575 CG TYR A 37 11.481 -1.211 -8.114 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.510 -2.125 -9.173 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.332 0.157 -8.373 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.390 -1.672 -10.493 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.212 0.610 -9.692 1.00 0.00 C ATOM 580 CZ TYR A 37 11.242 -0.304 -10.752 1.00 0.00 C ATOM 581 OH TYR A 37 11.125 0.143 -12.053 1.00 0.00 O ATOM 0 H TYR A 37 11.365 -4.189 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 37 13.343 -2.697 -7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.671 -2.132 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.838 -0.866 -6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.625 -3.180 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.310 0.862 -7.555 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.412 -2.377 -11.310 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.096 1.665 -9.892 1.00 0.00 H new ATOM 0 HH TYR A 37 10.235 -0.081 -12.397 1.00 0.00 H new ATOM 591 N PRO A 38 14.893 -2.472 -5.572 1.00 0.00 N ATOM 592 CA PRO A 38 15.852 -2.219 -4.483 1.00 0.00 C ATOM 593 C PRO A 38 15.896 -0.725 -4.153 1.00 0.00 C ATOM 594 O PRO A 38 16.199 -0.332 -3.043 1.00 0.00 O ATOM 595 CB PRO A 38 17.187 -2.697 -5.060 1.00 0.00 C ATOM 596 CG PRO A 38 17.033 -2.665 -6.599 1.00 0.00 C ATOM 597 CD PRO A 38 15.521 -2.722 -6.887 1.00 0.00 C ATOM 0 HA PRO A 38 15.594 -2.727 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 38 18.003 -2.051 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.422 -3.704 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.473 -1.759 -7.014 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.548 -3.509 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.226 -1.970 -7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.228 -3.691 -7.290 1.00 0.00 H new ATOM 605 N TYR A 39 15.594 0.110 -5.108 1.00 0.00 N ATOM 606 CA TYR A 39 15.614 1.578 -4.853 1.00 0.00 C ATOM 607 C TYR A 39 14.596 1.916 -3.760 1.00 0.00 C ATOM 608 O TYR A 39 14.804 2.806 -2.959 1.00 0.00 O ATOM 609 CB TYR A 39 15.251 2.317 -6.144 1.00 0.00 C ATOM 610 CG TYR A 39 14.969 3.767 -5.837 1.00 0.00 C ATOM 611 CD1 TYR A 39 15.747 4.446 -4.893 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.931 4.433 -6.499 1.00 0.00 C ATOM 613 CE1 TYR A 39 15.486 5.792 -4.610 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.670 5.778 -6.216 1.00 0.00 C ATOM 615 CZ TYR A 39 14.447 6.458 -5.272 1.00 0.00 C ATOM 616 OH TYR A 39 14.190 7.784 -4.993 1.00 0.00 O ATOM 0 H TYR A 39 15.334 -0.161 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 39 16.608 1.884 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.068 2.239 -6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.377 1.856 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 39 16.548 3.932 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.332 3.909 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.086 6.317 -3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.869 6.291 -6.726 1.00 0.00 H new ATOM 0 HH TYR A 39 13.438 8.093 -5.540 1.00 0.00 H new ATOM 626 N TYR A 40 13.498 1.212 -3.721 1.00 0.00 N ATOM 627 CA TYR A 40 12.468 1.493 -2.679 1.00 0.00 C ATOM 628 C TYR A 40 12.821 0.737 -1.396 1.00 0.00 C ATOM 629 O TYR A 40 12.480 -0.418 -1.233 1.00 0.00 O ATOM 630 CB TYR A 40 11.099 1.029 -3.182 1.00 0.00 C ATOM 631 CG TYR A 40 10.322 2.216 -3.696 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.992 3.272 -4.325 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.930 2.261 -3.546 1.00 0.00 C ATOM 634 CE1 TYR A 40 10.271 4.374 -4.803 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.209 3.362 -4.024 1.00 0.00 C ATOM 636 CZ TYR A 40 8.879 4.419 -4.652 1.00 0.00 C ATOM 637 OH TYR A 40 8.170 5.505 -5.126 1.00 0.00 O ATOM 0 H TYR A 40 13.269 0.455 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 40 12.439 2.563 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.222 0.291 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.549 0.543 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.065 3.237 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.413 1.446 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.788 5.189 -5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.136 3.396 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 40 7.276 5.216 -5.404 1.00 0.00 H new ATOM 647 N ARG A 41 13.499 1.377 -0.480 1.00 0.00 N ATOM 648 CA ARG A 41 13.868 0.688 0.791 1.00 0.00 C ATOM 649 C ARG A 41 13.913 1.707 1.933 1.00 0.00 C ATOM 650 O ARG A 41 13.265 1.546 2.948 1.00 0.00 O ATOM 651 CB ARG A 41 15.244 0.034 0.638 1.00 0.00 C ATOM 652 CG ARG A 41 15.089 -1.327 -0.044 1.00 0.00 C ATOM 653 CD ARG A 41 16.021 -2.342 0.623 1.00 0.00 C ATOM 654 NE ARG A 41 15.563 -2.603 2.017 1.00 0.00 N ATOM 655 CZ ARG A 41 14.286 -2.662 2.287 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.501 -3.414 1.566 1.00 0.00 N ATOM 657 NH2 ARG A 41 13.797 -1.969 3.279 1.00 0.00 N ATOM 0 H ARG A 41 13.812 2.345 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 41 13.125 -0.077 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.900 0.675 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.711 -0.088 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.055 -1.665 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.325 -1.243 -1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.031 -3.271 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.043 -1.962 0.631 1.00 0.00 H new ATOM 0 HE ARG A 41 16.248 -2.736 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.884 -3.956 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.504 -3.460 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.412 -1.382 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.800 -2.015 3.490 1.00 0.00 H new ATOM 671 N THR A 42 14.674 2.755 1.774 1.00 0.00 N ATOM 672 CA THR A 42 14.761 3.784 2.847 1.00 0.00 C ATOM 673 C THR A 42 15.186 5.119 2.235 1.00 0.00 C ATOM 674 O THR A 42 15.936 5.872 2.825 1.00 0.00 O ATOM 675 CB THR A 42 15.793 3.352 3.891 1.00 0.00 C ATOM 676 OG1 THR A 42 16.111 4.459 4.725 1.00 0.00 O ATOM 677 CG2 THR A 42 17.060 2.860 3.188 1.00 0.00 C ATOM 0 H THR A 42 15.240 2.943 0.946 1.00 0.00 H new ATOM 0 HA THR A 42 13.787 3.893 3.325 1.00 0.00 H new ATOM 0 HB THR A 42 15.381 2.545 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.551 5.154 4.192 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.794 2.553 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.815 2.012 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.475 3.664 2.581 1.00 0.00 H new ATOM 685 N ALA A 43 14.717 5.416 1.056 1.00 0.00 N ATOM 686 CA ALA A 43 15.101 6.702 0.407 1.00 0.00 C ATOM 687 C ALA A 43 13.979 7.725 0.586 1.00 0.00 C ATOM 688 O ALA A 43 14.170 8.774 1.168 1.00 0.00 O ATOM 689 CB ALA A 43 15.337 6.467 -1.086 1.00 0.00 C ATOM 0 H ALA A 43 14.086 4.826 0.514 1.00 0.00 H new ATOM 0 HA ALA A 43 16.013 7.080 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.618 7.406 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.138 5.740 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.423 6.087 -1.543 1.00 0.00 H new ATOM 695 N ASP A 44 12.812 7.433 0.079 1.00 0.00 N ATOM 696 CA ASP A 44 11.682 8.395 0.211 1.00 0.00 C ATOM 697 C ASP A 44 10.519 7.735 0.962 1.00 0.00 C ATOM 698 O ASP A 44 9.817 6.902 0.423 1.00 0.00 O ATOM 699 CB ASP A 44 11.213 8.812 -1.186 1.00 0.00 C ATOM 700 CG ASP A 44 11.857 10.147 -1.566 1.00 0.00 C ATOM 701 OD1 ASP A 44 12.122 10.930 -0.669 1.00 0.00 O ATOM 702 OD2 ASP A 44 12.076 10.362 -2.747 1.00 0.00 O ATOM 0 H ASP A 44 12.593 6.571 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 44 12.015 9.271 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.481 8.047 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.127 8.902 -1.204 1.00 0.00 H new ATOM 707 N LYS A 45 10.304 8.103 2.200 1.00 0.00 N ATOM 708 CA LYS A 45 9.180 7.500 2.977 1.00 0.00 C ATOM 709 C LYS A 45 7.894 8.280 2.691 1.00 0.00 C ATOM 710 O LYS A 45 7.124 8.577 3.585 1.00 0.00 O ATOM 711 CB LYS A 45 9.496 7.581 4.474 1.00 0.00 C ATOM 712 CG LYS A 45 10.131 6.269 4.939 1.00 0.00 C ATOM 713 CD LYS A 45 9.034 5.318 5.425 1.00 0.00 C ATOM 714 CE LYS A 45 8.775 5.555 6.914 1.00 0.00 C ATOM 715 NZ LYS A 45 7.437 6.186 7.091 1.00 0.00 N ATOM 0 H LYS A 45 10.858 8.794 2.705 1.00 0.00 H new ATOM 0 HA LYS A 45 9.052 6.458 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.173 8.413 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.584 7.775 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.688 5.812 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.843 6.461 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.119 5.480 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.334 4.284 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.818 4.611 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.550 6.198 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.475 6.867 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.168 6.681 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.732 5.451 7.304 1.00 0.00 H new ATOM 729 N GLY A 46 7.662 8.629 1.455 1.00 0.00 N ATOM 730 CA GLY A 46 6.434 9.405 1.117 1.00 0.00 C ATOM 731 C GLY A 46 5.406 8.514 0.410 1.00 0.00 C ATOM 732 O GLY A 46 4.223 8.596 0.677 1.00 0.00 O ATOM 0 H GLY A 46 8.269 8.411 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.999 9.820 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.695 10.247 0.476 1.00 0.00 H new ATOM 736 N TRP A 47 5.831 7.676 -0.500 1.00 0.00 N ATOM 737 CA TRP A 47 4.852 6.813 -1.220 1.00 0.00 C ATOM 738 C TRP A 47 4.094 5.915 -0.234 1.00 0.00 C ATOM 739 O TRP A 47 3.123 5.281 -0.596 1.00 0.00 O ATOM 740 CB TRP A 47 5.575 5.957 -2.265 1.00 0.00 C ATOM 741 CG TRP A 47 6.401 4.902 -1.603 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.434 5.133 -0.761 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.290 3.454 -1.725 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.966 3.921 -0.364 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.294 2.857 -0.927 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.425 2.608 -2.442 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.437 1.474 -0.843 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.566 1.213 -2.359 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.571 0.649 -1.560 1.00 0.00 C ATOM 0 H TRP A 47 6.806 7.553 -0.773 1.00 0.00 H new ATOM 0 HA TRP A 47 4.130 7.456 -1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.846 5.492 -2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.212 6.590 -2.883 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.786 6.106 -0.450 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.760 3.825 0.269 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.648 3.033 -3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.213 1.044 -0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.897 0.571 -2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.674 -0.424 -1.500 1.00 0.00 H new ATOM 760 N GLN A 48 4.500 5.860 1.008 1.00 0.00 N ATOM 761 CA GLN A 48 3.747 5.005 1.972 1.00 0.00 C ATOM 762 C GLN A 48 2.320 5.542 2.065 1.00 0.00 C ATOM 763 O GLN A 48 1.375 4.908 1.640 1.00 0.00 O ATOM 764 CB GLN A 48 4.378 5.037 3.374 1.00 0.00 C ATOM 765 CG GLN A 48 5.859 5.415 3.302 1.00 0.00 C ATOM 766 CD GLN A 48 6.564 4.530 2.278 1.00 0.00 C ATOM 767 OE1 GLN A 48 7.630 4.868 1.804 1.00 0.00 O ATOM 768 NE2 GLN A 48 6.018 3.396 1.924 1.00 0.00 N ATOM 0 H GLN A 48 5.303 6.359 1.391 1.00 0.00 H new ATOM 0 HA GLN A 48 3.768 3.975 1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.846 5.754 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.271 4.061 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.964 6.464 3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.323 5.296 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.123 3.114 2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.487 2.793 1.248 1.00 0.00 H new ATOM 777 N ASN A 49 2.161 6.720 2.606 1.00 0.00 N ATOM 778 CA ASN A 49 0.802 7.313 2.714 1.00 0.00 C ATOM 779 C ASN A 49 0.330 7.720 1.318 1.00 0.00 C ATOM 780 O ASN A 49 -0.848 7.711 1.021 1.00 0.00 O ATOM 781 CB ASN A 49 0.854 8.547 3.619 1.00 0.00 C ATOM 782 CG ASN A 49 -0.230 8.442 4.692 1.00 0.00 C ATOM 783 OD1 ASN A 49 -0.878 9.417 5.017 1.00 0.00 O ATOM 784 ND2 ASN A 49 -0.455 7.290 5.264 1.00 0.00 N ATOM 0 H ASN A 49 2.916 7.296 2.978 1.00 0.00 H new ATOM 0 HA ASN A 49 0.111 6.586 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.836 8.627 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.708 9.451 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.174 7.209 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.088 6.471 4.992 1.00 0.00 H new ATOM 791 N SER A 50 1.245 8.071 0.455 1.00 0.00 N ATOM 792 CA SER A 50 0.850 8.472 -0.923 1.00 0.00 C ATOM 793 C SER A 50 0.010 7.357 -1.543 1.00 0.00 C ATOM 794 O SER A 50 -1.132 7.559 -1.905 1.00 0.00 O ATOM 795 CB SER A 50 2.103 8.703 -1.770 1.00 0.00 C ATOM 796 OG SER A 50 1.907 9.842 -2.596 1.00 0.00 O ATOM 0 H SER A 50 2.247 8.097 0.645 1.00 0.00 H new ATOM 0 HA SER A 50 0.269 9.394 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.969 8.851 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.308 7.826 -2.383 1.00 0.00 H new ATOM 0 HG SER A 50 2.708 9.994 -3.139 1.00 0.00 H new ATOM 802 N ILE A 51 0.562 6.178 -1.663 1.00 0.00 N ATOM 803 CA ILE A 51 -0.212 5.050 -2.251 1.00 0.00 C ATOM 804 C ILE A 51 -1.624 5.058 -1.661 1.00 0.00 C ATOM 805 O ILE A 51 -2.599 5.184 -2.373 1.00 0.00 O ATOM 806 CB ILE A 51 0.492 3.721 -1.922 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.691 3.468 -2.864 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.497 2.561 -2.073 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.943 4.653 -3.803 1.00 0.00 C ATOM 0 H ILE A 51 1.515 5.950 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.271 5.159 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 51 0.856 3.785 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.585 3.279 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.505 2.571 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.005 1.622 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.334 2.705 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.867 2.529 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.794 4.432 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.059 4.825 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.156 5.545 -3.214 1.00 0.00 H new ATOM 821 N ARG A 52 -1.740 4.938 -0.368 1.00 0.00 N ATOM 822 CA ARG A 52 -3.092 4.948 0.255 1.00 0.00 C ATOM 823 C ARG A 52 -3.877 6.136 -0.298 1.00 0.00 C ATOM 824 O ARG A 52 -5.061 6.045 -0.563 1.00 0.00 O ATOM 825 CB ARG A 52 -2.955 5.083 1.772 1.00 0.00 C ATOM 826 CG ARG A 52 -4.321 5.403 2.382 1.00 0.00 C ATOM 827 CD ARG A 52 -5.271 4.229 2.149 1.00 0.00 C ATOM 828 NE ARG A 52 -6.410 4.675 1.299 1.00 0.00 N ATOM 829 CZ ARG A 52 -7.299 5.500 1.782 1.00 0.00 C ATOM 830 NH1 ARG A 52 -8.271 5.048 2.526 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.217 6.776 1.519 1.00 0.00 N ATOM 0 H ARG A 52 -0.961 4.834 0.282 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.615 4.019 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.563 4.158 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.243 5.872 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.218 5.595 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.728 6.309 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.741 3.409 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.640 3.851 3.102 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.495 4.336 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.336 4.051 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.966 5.692 2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.458 7.129 0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.912 7.420 1.897 1.00 0.00 H new ATOM 845 N HIS A 53 -3.223 7.247 -0.492 1.00 0.00 N ATOM 846 CA HIS A 53 -3.926 8.434 -1.047 1.00 0.00 C ATOM 847 C HIS A 53 -4.155 8.206 -2.542 1.00 0.00 C ATOM 848 O HIS A 53 -5.131 8.653 -3.111 1.00 0.00 O ATOM 849 CB HIS A 53 -3.068 9.684 -0.838 1.00 0.00 C ATOM 850 CG HIS A 53 -3.852 10.902 -1.240 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.217 11.007 -1.018 1.00 0.00 N ATOM 852 CD2 HIS A 53 -3.482 12.074 -1.854 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.614 12.203 -1.491 1.00 0.00 C ATOM 854 NE2 HIS A 53 -4.595 12.893 -2.011 1.00 0.00 N ATOM 0 H HIS A 53 -2.233 7.383 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.881 8.575 -0.541 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.766 9.761 0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.155 9.615 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.479 12.322 -2.167 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.632 12.561 -1.455 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.627 13.821 -2.433 1.00 0.00 H new ATOM 862 N ASN A 54 -3.259 7.499 -3.180 1.00 0.00 N ATOM 863 CA ASN A 54 -3.418 7.222 -4.634 1.00 0.00 C ATOM 864 C ASN A 54 -4.564 6.231 -4.839 1.00 0.00 C ATOM 865 O ASN A 54 -5.383 6.384 -5.723 1.00 0.00 O ATOM 866 CB ASN A 54 -2.121 6.621 -5.182 1.00 0.00 C ATOM 867 CG ASN A 54 -1.051 7.712 -5.254 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.158 8.633 -6.039 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.016 7.647 -4.462 1.00 0.00 N ATOM 0 H ASN A 54 -2.422 7.101 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.640 8.150 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.784 5.807 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.292 6.197 -6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.703 8.369 -4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.074 6.874 -3.803 1.00 0.00 H new ATOM 876 N LEU A 55 -4.628 5.214 -4.022 1.00 0.00 N ATOM 877 CA LEU A 55 -5.720 4.213 -4.165 1.00 0.00 C ATOM 878 C LEU A 55 -7.069 4.921 -4.030 1.00 0.00 C ATOM 879 O LEU A 55 -8.100 4.390 -4.394 1.00 0.00 O ATOM 880 CB LEU A 55 -5.585 3.141 -3.077 1.00 0.00 C ATOM 881 CG LEU A 55 -4.131 2.660 -2.985 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.089 1.303 -2.283 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.536 2.520 -4.389 1.00 0.00 C ATOM 0 H LEU A 55 -3.971 5.035 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.654 3.736 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.903 3.545 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.241 2.300 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.550 3.388 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.057 0.959 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.505 1.399 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.676 0.581 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.504 2.178 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.117 1.796 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.563 3.486 -4.893 1.00 0.00 H new ATOM 895 N SER A 56 -7.069 6.121 -3.516 1.00 0.00 N ATOM 896 CA SER A 56 -8.347 6.869 -3.367 1.00 0.00 C ATOM 897 C SER A 56 -8.603 7.667 -4.644 1.00 0.00 C ATOM 898 O SER A 56 -9.699 7.690 -5.169 1.00 0.00 O ATOM 899 CB SER A 56 -8.247 7.828 -2.178 1.00 0.00 C ATOM 900 OG SER A 56 -9.496 7.869 -1.499 1.00 0.00 O ATOM 0 H SER A 56 -6.237 6.615 -3.193 1.00 0.00 H new ATOM 0 HA SER A 56 -9.165 6.170 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.461 7.501 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.975 8.826 -2.523 1.00 0.00 H new ATOM 0 HG SER A 56 -9.434 8.481 -0.736 1.00 0.00 H new ATOM 906 N LEU A 57 -7.594 8.318 -5.150 1.00 0.00 N ATOM 907 CA LEU A 57 -7.765 9.113 -6.396 1.00 0.00 C ATOM 908 C LEU A 57 -7.796 8.165 -7.595 1.00 0.00 C ATOM 909 O LEU A 57 -8.498 8.390 -8.561 1.00 0.00 O ATOM 910 CB LEU A 57 -6.592 10.086 -6.542 1.00 0.00 C ATOM 911 CG LEU A 57 -6.336 10.786 -5.205 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.830 10.909 -4.974 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.962 12.181 -5.238 1.00 0.00 C ATOM 0 H LEU A 57 -6.655 8.333 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.698 9.675 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.698 9.549 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.812 10.823 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.780 10.205 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.647 11.407 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.382 9.915 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.385 11.492 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.782 12.683 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.515 12.761 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.036 12.094 -5.405 1.00 0.00 H new ATOM 925 N ASN A 58 -7.039 7.103 -7.537 1.00 0.00 N ATOM 926 CA ASN A 58 -7.023 6.135 -8.671 1.00 0.00 C ATOM 927 C ASN A 58 -8.455 5.665 -8.941 1.00 0.00 C ATOM 928 O ASN A 58 -9.181 5.312 -8.033 1.00 0.00 O ATOM 929 CB ASN A 58 -6.153 4.933 -8.300 1.00 0.00 C ATOM 930 CG ASN A 58 -4.670 5.328 -8.310 1.00 0.00 C ATOM 931 OD1 ASN A 58 -3.809 4.475 -8.335 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.327 6.586 -8.287 1.00 0.00 N ATOM 0 H ASN A 58 -6.431 6.864 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.616 6.613 -9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.432 4.564 -7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.325 4.119 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.341 6.846 -8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.045 7.310 -8.266 1.00 0.00 H new ATOM 939 N ARG A 59 -8.875 5.673 -10.177 1.00 0.00 N ATOM 940 CA ARG A 59 -10.270 5.242 -10.487 1.00 0.00 C ATOM 941 C ARG A 59 -10.329 3.738 -10.784 1.00 0.00 C ATOM 942 O ARG A 59 -11.355 3.228 -11.187 1.00 0.00 O ATOM 943 CB ARG A 59 -10.784 6.019 -11.702 1.00 0.00 C ATOM 944 CG ARG A 59 -9.908 5.712 -12.917 1.00 0.00 C ATOM 945 CD ARG A 59 -10.340 6.593 -14.091 1.00 0.00 C ATOM 946 NE ARG A 59 -9.470 7.800 -14.153 1.00 0.00 N ATOM 947 CZ ARG A 59 -9.720 8.824 -13.383 1.00 0.00 C ATOM 948 NH1 ARG A 59 -10.800 9.532 -13.567 1.00 0.00 N ATOM 949 NH2 ARG A 59 -8.887 9.141 -12.429 1.00 0.00 N ATOM 0 H ARG A 59 -8.317 5.957 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.895 5.447 -9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.819 5.746 -11.909 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.772 7.089 -11.494 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.860 5.893 -12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.996 4.659 -13.186 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.271 6.034 -15.024 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.382 6.889 -13.973 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.679 7.827 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.450 9.286 -14.313 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.994 10.332 -12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.042 8.589 -12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.082 9.941 -11.827 1.00 0.00 H new ATOM 963 N TYR A 60 -9.256 3.015 -10.595 1.00 0.00 N ATOM 964 CA TYR A 60 -9.311 1.550 -10.882 1.00 0.00 C ATOM 965 C TYR A 60 -9.125 0.746 -9.592 1.00 0.00 C ATOM 966 O TYR A 60 -9.403 -0.435 -9.549 1.00 0.00 O ATOM 967 CB TYR A 60 -8.225 1.147 -11.889 1.00 0.00 C ATOM 968 CG TYR A 60 -7.110 2.164 -11.916 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.249 2.308 -10.818 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.930 2.956 -13.053 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.212 3.248 -10.867 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.896 3.894 -13.102 1.00 0.00 C ATOM 973 CZ TYR A 60 -5.036 4.042 -12.009 1.00 0.00 C ATOM 974 OH TYR A 60 -4.015 4.968 -12.057 1.00 0.00 O ATOM 0 H TYR A 60 -8.359 3.367 -10.260 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.290 1.332 -11.310 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.824 0.169 -11.625 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.662 1.054 -12.883 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.385 1.696 -9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.593 2.842 -13.898 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.547 3.361 -10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.761 4.504 -13.983 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.034 5.432 -12.920 1.00 0.00 H new ATOM 984 N PHE A 61 -8.659 1.362 -8.543 1.00 0.00 N ATOM 985 CA PHE A 61 -8.464 0.601 -7.278 1.00 0.00 C ATOM 986 C PHE A 61 -9.734 0.666 -6.429 1.00 0.00 C ATOM 987 O PHE A 61 -10.403 1.677 -6.362 1.00 0.00 O ATOM 988 CB PHE A 61 -7.270 1.172 -6.518 1.00 0.00 C ATOM 989 CG PHE A 61 -6.028 0.901 -7.329 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.737 -0.405 -7.748 1.00 0.00 C ATOM 991 CD2 PHE A 61 -5.179 1.951 -7.686 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.598 -0.653 -8.516 1.00 0.00 C ATOM 993 CE2 PHE A 61 -4.042 1.700 -8.457 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.752 0.399 -8.871 1.00 0.00 C ATOM 0 H PHE A 61 -8.407 2.350 -8.505 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.262 -0.445 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.396 2.243 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.190 0.712 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.394 -1.218 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.402 2.958 -7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.371 -1.659 -8.836 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.387 2.513 -8.733 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.872 0.206 -9.467 1.00 0.00 H new ATOM 1004 N ILE A 62 -10.076 -0.424 -5.802 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.313 -0.467 -4.972 1.00 0.00 C ATOM 1006 C ILE A 62 -10.985 -1.010 -3.579 1.00 0.00 C ATOM 1007 O ILE A 62 -9.866 -1.392 -3.297 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.329 -1.393 -5.647 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.784 -2.824 -5.642 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.554 -0.944 -7.093 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.806 -3.761 -4.995 1.00 0.00 C ATOM 0 H ILE A 62 -9.547 -1.296 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.724 0.538 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.274 -1.353 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.574 -3.147 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.842 -2.863 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.277 -1.605 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.934 0.077 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.611 -0.985 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.416 -4.779 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.994 -3.442 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.737 -3.731 -5.561 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.957 -1.057 -2.707 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.710 -1.583 -1.335 1.00 0.00 C ATOM 1025 C LYS A 63 -12.809 -2.581 -0.971 1.00 0.00 C ATOM 1026 O LYS A 63 -13.971 -2.374 -1.257 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.716 -0.427 -0.334 1.00 0.00 C ATOM 1028 CG LYS A 63 -13.141 0.102 -0.172 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.857 -0.691 0.923 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.882 0.132 2.211 1.00 0.00 C ATOM 1031 NZ LYS A 63 -15.293 0.444 2.576 1.00 0.00 N ATOM 0 H LYS A 63 -12.914 -0.753 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.741 -2.080 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.330 -0.764 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.058 0.370 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.120 1.161 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.683 0.013 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.874 -0.928 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.347 -1.639 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.401 -0.421 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.318 1.055 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.309 1.004 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.738 0.988 1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.818 -0.442 2.721 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.449 -3.667 -0.345 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.470 -4.680 0.034 1.00 0.00 C ATOM 1047 C VAL A 64 -14.368 -4.116 1.144 1.00 0.00 C ATOM 1048 O VAL A 64 -13.877 -3.672 2.163 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.764 -5.938 0.542 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -11.979 -5.609 1.811 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.807 -7.011 0.852 1.00 0.00 C ATOM 0 H VAL A 64 -11.491 -3.896 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.081 -4.925 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.077 -6.304 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.477 -6.507 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.237 -4.842 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.663 -5.244 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.308 -7.910 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.492 -6.643 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.367 -7.247 -0.053 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.660 -4.152 0.917 1.00 0.00 N ATOM 1062 CA PRO A 65 -16.648 -3.650 1.888 1.00 0.00 C ATOM 1063 C PRO A 65 -16.862 -4.674 3.007 1.00 0.00 C ATOM 1064 O PRO A 65 -16.312 -5.757 2.984 1.00 0.00 O ATOM 1065 CB PRO A 65 -17.919 -3.481 1.053 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.762 -4.410 -0.175 1.00 0.00 C ATOM 1067 CD PRO A 65 -16.256 -4.692 -0.323 1.00 0.00 C ATOM 0 HA PRO A 65 -16.340 -2.725 2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.803 -3.749 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.044 -2.444 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.318 -5.337 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.157 -3.935 -1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.059 -5.759 -0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.845 -4.205 -1.207 1.00 0.00 H new ATOM 1075 N ARG A 66 -17.657 -4.338 3.988 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.904 -5.292 5.106 1.00 0.00 C ATOM 1077 C ARG A 66 -18.696 -6.494 4.587 1.00 0.00 C ATOM 1078 O ARG A 66 -19.887 -6.601 4.799 1.00 0.00 O ATOM 1079 CB ARG A 66 -18.699 -4.594 6.213 1.00 0.00 C ATOM 1080 CG ARG A 66 -19.795 -3.726 5.593 1.00 0.00 C ATOM 1081 CD ARG A 66 -20.823 -3.361 6.666 1.00 0.00 C ATOM 1082 NE ARG A 66 -21.895 -2.522 6.059 1.00 0.00 N ATOM 1083 CZ ARG A 66 -23.121 -2.618 6.493 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -23.521 -1.868 7.486 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -23.947 -3.461 5.938 1.00 0.00 N ATOM 0 H ARG A 66 -18.145 -3.445 4.063 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.949 -5.632 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.142 -5.335 6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.034 -3.979 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.361 -2.821 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.280 -4.261 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -21.253 -4.266 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.340 -2.820 7.480 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.670 -1.873 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -22.875 -1.209 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -24.480 -1.942 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -23.634 -4.046 5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -24.906 -3.535 6.279 1.00 0.00 H new ATOM 1099 N SER A 67 -18.044 -7.401 3.912 1.00 0.00 N ATOM 1100 CA SER A 67 -18.763 -8.595 3.384 1.00 0.00 C ATOM 1101 C SER A 67 -18.794 -9.681 4.461 1.00 0.00 C ATOM 1102 O SER A 67 -17.863 -9.834 5.227 1.00 0.00 O ATOM 1103 CB SER A 67 -18.038 -9.126 2.147 1.00 0.00 C ATOM 1104 OG SER A 67 -17.499 -8.034 1.414 1.00 0.00 O ATOM 0 H SER A 67 -17.046 -7.367 3.704 1.00 0.00 H new ATOM 0 HA SER A 67 -19.781 -8.316 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.242 -9.809 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.728 -9.693 1.522 1.00 0.00 H new ATOM 0 HG SER A 67 -16.533 -7.978 1.572 1.00 0.00 H new ATOM 1110 N GLN A 68 -19.855 -10.438 4.529 1.00 0.00 N ATOM 1111 CA GLN A 68 -19.937 -11.510 5.559 1.00 0.00 C ATOM 1112 C GLN A 68 -19.368 -12.810 4.992 1.00 0.00 C ATOM 1113 O GLN A 68 -19.657 -13.887 5.475 1.00 0.00 O ATOM 1114 CB GLN A 68 -21.399 -11.724 5.955 1.00 0.00 C ATOM 1115 CG GLN A 68 -22.143 -12.415 4.811 1.00 0.00 C ATOM 1116 CD GLN A 68 -23.470 -11.697 4.556 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -23.811 -10.764 5.255 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -24.237 -12.094 3.578 1.00 0.00 N ATOM 0 H GLN A 68 -20.667 -10.360 3.917 1.00 0.00 H new ATOM 0 HA GLN A 68 -19.361 -11.215 6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -21.457 -12.330 6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.869 -10.767 6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.533 -12.405 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -22.325 -13.460 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -23.951 -12.877 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -25.123 -11.621 3.400 1.00 0.00 H new ATOM 1127 N GLU A 69 -18.562 -12.723 3.970 1.00 0.00 N ATOM 1128 CA GLU A 69 -17.979 -13.958 3.378 1.00 0.00 C ATOM 1129 C GLU A 69 -16.474 -13.995 3.650 1.00 0.00 C ATOM 1130 O GLU A 69 -15.753 -14.802 3.098 1.00 0.00 O ATOM 1131 CB GLU A 69 -18.224 -13.960 1.867 1.00 0.00 C ATOM 1132 CG GLU A 69 -19.522 -14.712 1.561 1.00 0.00 C ATOM 1133 CD GLU A 69 -20.290 -13.982 0.458 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -19.888 -14.094 -0.689 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -21.268 -13.325 0.777 1.00 0.00 O ATOM 0 H GLU A 69 -18.283 -11.851 3.520 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.449 -14.833 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -18.288 -12.937 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.387 -14.433 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.298 -15.732 1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.135 -14.781 2.460 1.00 0.00 H new ATOM 1142 N GLU A 70 -15.992 -13.127 4.498 1.00 0.00 N ATOM 1143 CA GLU A 70 -14.534 -13.113 4.802 1.00 0.00 C ATOM 1144 C GLU A 70 -14.321 -12.741 6.273 1.00 0.00 C ATOM 1145 O GLU A 70 -14.187 -11.580 6.602 1.00 0.00 O ATOM 1146 CB GLU A 70 -13.838 -12.083 3.913 1.00 0.00 C ATOM 1147 CG GLU A 70 -14.533 -10.729 4.060 1.00 0.00 C ATOM 1148 CD GLU A 70 -14.326 -9.906 2.788 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -13.410 -10.220 2.046 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -15.086 -8.976 2.577 1.00 0.00 O ATOM 0 H GLU A 70 -16.545 -12.428 4.993 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.115 -14.101 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.788 -11.997 4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.866 -12.407 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.598 -10.873 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.131 -10.194 4.921 1.00 0.00 H new ATOM 1157 N PRO A 71 -14.296 -13.744 7.113 1.00 0.00 N ATOM 1158 CA PRO A 71 -14.099 -13.563 8.562 1.00 0.00 C ATOM 1159 C PRO A 71 -12.619 -13.309 8.871 1.00 0.00 C ATOM 1160 O PRO A 71 -12.281 -12.489 9.701 1.00 0.00 O ATOM 1161 CB PRO A 71 -14.562 -14.895 9.158 1.00 0.00 C ATOM 1162 CG PRO A 71 -14.459 -15.939 8.021 1.00 0.00 C ATOM 1163 CD PRO A 71 -14.462 -15.152 6.698 1.00 0.00 C ATOM 0 HA PRO A 71 -14.644 -12.710 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.938 -15.180 10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.585 -14.821 9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.548 -16.529 8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.296 -16.636 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.652 -15.472 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.393 -15.298 6.150 1.00 0.00 H new ATOM 1171 N GLY A 72 -11.737 -14.006 8.207 1.00 0.00 N ATOM 1172 CA GLY A 72 -10.282 -13.804 8.460 1.00 0.00 C ATOM 1173 C GLY A 72 -9.859 -12.438 7.917 1.00 0.00 C ATOM 1174 O GLY A 72 -9.784 -11.466 8.642 1.00 0.00 O ATOM 0 H GLY A 72 -11.961 -14.706 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.075 -13.863 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.705 -14.594 7.979 1.00 0.00 H new ATOM 1178 N LYS A 73 -9.587 -12.356 6.643 1.00 0.00 N ATOM 1179 CA LYS A 73 -9.174 -11.052 6.054 1.00 0.00 C ATOM 1180 C LYS A 73 -10.331 -10.059 6.167 1.00 0.00 C ATOM 1181 O LYS A 73 -11.484 -10.415 6.022 1.00 0.00 O ATOM 1182 CB LYS A 73 -8.812 -11.248 4.580 1.00 0.00 C ATOM 1183 CG LYS A 73 -9.961 -11.960 3.863 1.00 0.00 C ATOM 1184 CD LYS A 73 -9.529 -13.381 3.493 1.00 0.00 C ATOM 1185 CE LYS A 73 -10.584 -14.378 3.976 1.00 0.00 C ATOM 1186 NZ LYS A 73 -9.984 -15.742 4.044 1.00 0.00 N ATOM 0 H LYS A 73 -9.633 -13.135 5.986 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.307 -10.667 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.618 -10.283 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.897 -11.834 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.841 -11.992 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.241 -11.408 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.402 -13.464 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.564 -13.609 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.956 -14.083 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.438 -14.378 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.701 -16.420 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.649 -16.022 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.183 -15.736 4.707 1.00 0.00 H new ATOM 1200 N GLY A 74 -10.036 -8.816 6.428 1.00 0.00 N ATOM 1201 CA GLY A 74 -11.122 -7.803 6.552 1.00 0.00 C ATOM 1202 C GLY A 74 -10.937 -6.722 5.486 1.00 0.00 C ATOM 1203 O GLY A 74 -11.834 -6.432 4.720 1.00 0.00 O ATOM 0 H GLY A 74 -9.090 -8.458 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.095 -8.281 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.104 -7.355 7.546 1.00 0.00 H new ATOM 1207 N SER A 75 -9.780 -6.120 5.433 1.00 0.00 N ATOM 1208 CA SER A 75 -9.539 -5.056 4.419 1.00 0.00 C ATOM 1209 C SER A 75 -8.637 -5.601 3.308 1.00 0.00 C ATOM 1210 O SER A 75 -7.833 -6.485 3.527 1.00 0.00 O ATOM 1211 CB SER A 75 -8.855 -3.862 5.090 1.00 0.00 C ATOM 1212 OG SER A 75 -8.926 -4.015 6.502 1.00 0.00 O ATOM 0 H SER A 75 -8.991 -6.320 6.049 1.00 0.00 H new ATOM 0 HA SER A 75 -10.490 -4.740 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.815 -3.797 4.771 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.339 -2.933 4.788 1.00 0.00 H new ATOM 0 HG SER A 75 -8.488 -3.253 6.936 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.764 -5.082 2.117 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.912 -5.572 0.997 1.00 0.00 C ATOM 1220 C PHE A 76 -8.089 -4.659 -0.219 1.00 0.00 C ATOM 1221 O PHE A 76 -9.181 -4.487 -0.724 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.327 -6.998 0.626 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.107 -7.888 0.591 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -5.998 -7.528 -0.184 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.084 -9.073 1.335 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -4.868 -8.354 -0.215 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.954 -9.899 1.304 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.846 -9.539 0.529 1.00 0.00 C ATOM 0 H PHE A 76 -9.420 -4.341 1.872 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.867 -5.565 1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.046 -7.378 1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.821 -7.003 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.014 -6.613 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.939 -9.351 1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.013 -8.076 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.938 -10.814 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.974 -10.176 0.505 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.023 -4.074 -0.694 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.131 -3.176 -1.877 1.00 0.00 C ATOM 1240 C TRP A 77 -7.161 -4.019 -3.154 1.00 0.00 C ATOM 1241 O TRP A 77 -6.383 -4.937 -3.322 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.924 -2.237 -1.918 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.291 -0.918 -1.321 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.939 -0.502 -0.081 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.065 0.163 -1.911 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.448 0.768 0.124 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.148 1.221 -0.975 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.698 0.329 -3.157 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.833 2.400 -1.264 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.388 1.515 -3.452 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.454 2.549 -2.507 1.00 0.00 C ATOM 0 H TRP A 77 -6.083 -4.180 -0.313 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.046 -2.589 -1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.091 -2.676 -1.369 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.592 -2.101 -2.947 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.357 -1.069 0.631 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.321 1.304 0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.652 -0.462 -3.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.883 3.193 -0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.870 1.632 -4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.985 3.460 -2.740 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.054 -3.716 -4.057 1.00 0.00 N ATOM 1263 CA ARG A 78 -8.132 -4.503 -5.322 1.00 0.00 C ATOM 1264 C ARG A 78 -8.397 -3.555 -6.490 1.00 0.00 C ATOM 1265 O ARG A 78 -9.067 -2.554 -6.345 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.270 -5.525 -5.230 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.521 -5.893 -3.767 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.402 -7.140 -3.699 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.441 -6.956 -2.648 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.380 -7.849 -2.498 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.125 -8.969 -1.880 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.576 -7.619 -2.966 1.00 0.00 N ATOM 0 H ARG A 78 -8.732 -2.959 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.190 -5.028 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.177 -5.113 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.015 -6.418 -5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.574 -6.076 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.005 -5.064 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.874 -7.318 -4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.794 -8.016 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.418 -6.133 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.190 -9.148 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.860 -9.666 -1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.775 -6.742 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.312 -8.316 -2.850 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.876 -3.855 -7.646 1.00 0.00 N ATOM 1287 CA ILE A 79 -8.104 -2.957 -8.812 1.00 0.00 C ATOM 1288 C ILE A 79 -9.236 -3.510 -9.681 1.00 0.00 C ATOM 1289 O ILE A 79 -9.498 -4.697 -9.695 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.813 -2.846 -9.625 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -7.044 -1.948 -10.837 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.369 -4.226 -10.096 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.860 -0.998 -10.985 1.00 0.00 C ATOM 0 H ILE A 79 -7.305 -4.679 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.390 -1.966 -8.460 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.036 -2.416 -8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.156 -2.552 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.968 -1.382 -10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.449 -4.135 -10.674 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.193 -4.866 -9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.147 -4.665 -10.720 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.017 -0.353 -11.849 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.770 -0.387 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.946 -1.575 -11.125 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.919 -2.654 -10.396 1.00 0.00 N ATOM 1306 CA ASP A 80 -11.044 -3.127 -11.249 1.00 0.00 C ATOM 1307 C ASP A 80 -10.528 -4.162 -12.253 1.00 0.00 C ATOM 1308 O ASP A 80 -9.421 -4.052 -12.740 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.642 -1.941 -12.009 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.486 -1.095 -11.055 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.650 -1.418 -10.880 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -11.956 -0.137 -10.518 1.00 0.00 O ATOM 0 H ASP A 80 -9.745 -1.649 -10.425 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.808 -3.581 -10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.846 -1.335 -12.442 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.256 -2.298 -12.835 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.350 -5.146 -12.521 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.011 -6.234 -13.454 1.00 0.00 C ATOM 1319 C PRO A 81 -11.221 -5.791 -14.908 1.00 0.00 C ATOM 1320 O PRO A 81 -10.464 -6.147 -15.788 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.001 -7.341 -13.080 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.195 -6.644 -12.381 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.692 -5.266 -11.915 1.00 0.00 C ATOM 0 HA PRO A 81 -9.969 -6.547 -13.382 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.332 -7.881 -13.967 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.535 -8.071 -12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.036 -6.538 -13.066 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.546 -7.234 -11.535 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.353 -4.467 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.645 -5.206 -10.828 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.249 -5.031 -15.166 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.513 -4.581 -16.563 1.00 0.00 C ATOM 1333 C ALA A 82 -11.487 -3.528 -16.983 1.00 0.00 C ATOM 1334 O ALA A 82 -11.198 -3.366 -18.152 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.921 -3.988 -16.653 1.00 0.00 C ATOM 0 H ALA A 82 -12.918 -4.702 -14.470 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.433 -5.439 -17.231 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.113 -3.659 -17.674 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.653 -4.745 -16.372 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.001 -3.137 -15.977 1.00 0.00 H new ATOM 1341 N SER A 83 -10.921 -2.820 -16.048 1.00 0.00 N ATOM 1342 CA SER A 83 -9.906 -1.799 -16.414 1.00 0.00 C ATOM 1343 C SER A 83 -8.521 -2.390 -16.156 1.00 0.00 C ATOM 1344 O SER A 83 -7.515 -1.838 -16.550 1.00 0.00 O ATOM 1345 CB SER A 83 -10.106 -0.538 -15.561 1.00 0.00 C ATOM 1346 OG SER A 83 -10.595 0.511 -16.387 1.00 0.00 O ATOM 0 H SER A 83 -11.117 -2.904 -15.051 1.00 0.00 H new ATOM 0 HA SER A 83 -10.007 -1.525 -17.464 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.809 -0.739 -14.753 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.164 -0.244 -15.098 1.00 0.00 H new ATOM 0 HG SER A 83 -10.726 1.318 -15.847 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.471 -3.518 -15.496 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.164 -4.153 -15.196 1.00 0.00 C ATOM 1354 C GLU A 84 -6.405 -4.429 -16.491 1.00 0.00 C ATOM 1355 O GLU A 84 -5.313 -3.944 -16.682 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.392 -5.467 -14.444 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.046 -6.136 -14.162 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.249 -7.310 -13.201 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.711 -8.345 -13.649 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.938 -7.152 -12.031 1.00 0.00 O ATOM 0 H GLU A 84 -9.286 -4.025 -15.152 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.575 -3.477 -14.577 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.918 -5.276 -13.509 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.023 -6.131 -15.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.601 -6.487 -15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.353 -5.414 -13.730 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.962 -5.196 -17.389 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.234 -5.479 -18.659 1.00 0.00 C ATOM 1369 C ALA A 85 -5.766 -4.160 -19.279 1.00 0.00 C ATOM 1370 O ALA A 85 -4.851 -4.130 -20.078 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.160 -6.208 -19.635 1.00 0.00 C ATOM 0 H ALA A 85 -7.879 -5.634 -17.300 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.370 -6.110 -18.449 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.624 -6.413 -20.562 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.489 -7.148 -19.191 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.028 -5.584 -19.848 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.383 -3.070 -18.915 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.970 -1.755 -19.479 1.00 0.00 C ATOM 1379 C LYS A 86 -4.872 -1.149 -18.606 1.00 0.00 C ATOM 1380 O LYS A 86 -3.773 -0.901 -19.060 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.177 -0.815 -19.517 1.00 0.00 C ATOM 1382 CG LYS A 86 -6.707 0.614 -19.804 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.033 0.662 -21.176 1.00 0.00 C ATOM 1384 CE LYS A 86 -4.586 1.133 -21.018 1.00 0.00 C ATOM 1385 NZ LYS A 86 -4.194 1.942 -22.205 1.00 0.00 N ATOM 0 H LYS A 86 -7.156 -3.033 -18.251 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.590 -1.895 -20.491 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.879 -1.139 -20.286 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.708 -0.850 -18.566 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.554 1.299 -19.779 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.010 0.941 -19.033 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.057 -0.324 -21.639 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.576 1.338 -21.836 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.483 1.727 -20.110 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.922 0.275 -20.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.210 2.262 -22.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.277 1.361 -23.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.820 2.768 -22.284 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.157 -0.902 -17.357 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.117 -0.305 -16.472 1.00 0.00 C ATOM 1401 C LEU A 87 -2.851 -1.141 -16.524 1.00 0.00 C ATOM 1402 O LEU A 87 -1.786 -0.665 -16.861 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.602 -0.244 -15.018 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.523 -1.425 -14.695 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.944 -2.233 -13.533 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.899 -0.894 -14.289 1.00 0.00 C ATOM 0 H LEU A 87 -6.057 -1.086 -16.914 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.917 0.706 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.745 -0.252 -14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.133 0.693 -14.847 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.610 -2.062 -15.575 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.604 -3.071 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.959 -2.610 -13.807 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.856 -1.595 -12.654 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.558 -1.731 -14.058 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.799 -0.258 -13.410 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.322 -0.315 -15.110 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.964 -2.381 -16.177 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.781 -3.269 -16.182 1.00 0.00 C ATOM 1420 C VAL A 88 -0.916 -3.009 -17.415 1.00 0.00 C ATOM 1421 O VAL A 88 0.293 -3.126 -17.369 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.259 -4.692 -16.238 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -3.091 -5.014 -14.995 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.106 -4.861 -17.492 1.00 0.00 C ATOM 0 H VAL A 88 -3.835 -2.824 -15.886 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.192 -3.080 -15.285 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.408 -5.373 -16.266 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.433 -6.048 -15.044 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.480 -4.876 -14.103 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.953 -4.348 -14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.464 -5.889 -17.553 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.957 -4.182 -17.450 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.503 -4.634 -18.371 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.516 -2.664 -18.519 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.706 -2.412 -19.742 1.00 0.00 C ATOM 1436 C GLU A 89 0.366 -1.385 -19.393 1.00 0.00 C ATOM 1437 O GLU A 89 1.440 -1.369 -19.961 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.600 -1.864 -20.858 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.362 -2.663 -22.142 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.950 -1.904 -23.335 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -3.158 -1.745 -23.372 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -1.180 -1.497 -24.190 1.00 0.00 O ATOM 0 H GLU A 89 -2.523 -2.546 -18.628 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.249 -3.339 -20.088 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.648 -1.930 -20.565 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.383 -0.809 -21.028 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.294 -2.823 -22.290 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.823 -3.647 -22.061 1.00 0.00 H new ATOM 1449 N GLN A 90 0.089 -0.544 -18.439 1.00 0.00 N ATOM 1450 CA GLN A 90 1.097 0.466 -18.020 1.00 0.00 C ATOM 1451 C GLN A 90 1.963 -0.140 -16.911 1.00 0.00 C ATOM 1452 O GLN A 90 3.052 0.323 -16.633 1.00 0.00 O ATOM 1453 CB GLN A 90 0.383 1.714 -17.490 1.00 0.00 C ATOM 1454 CG GLN A 90 1.370 2.882 -17.431 1.00 0.00 C ATOM 1455 CD GLN A 90 1.129 3.821 -18.615 1.00 0.00 C ATOM 1456 OE1 GLN A 90 1.398 5.002 -18.533 1.00 0.00 O ATOM 1457 NE2 GLN A 90 0.628 3.342 -19.722 1.00 0.00 N ATOM 0 H GLN A 90 -0.794 -0.512 -17.930 1.00 0.00 H new ATOM 0 HA GLN A 90 1.720 0.746 -18.869 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.457 1.967 -18.136 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.025 1.519 -16.498 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.250 3.425 -16.494 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.393 2.507 -17.454 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.402 2.350 -19.792 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.463 3.960 -20.517 1.00 0.00 H new ATOM 1466 N ALA A 91 1.479 -1.176 -16.276 1.00 0.00 N ATOM 1467 CA ALA A 91 2.257 -1.825 -15.181 1.00 0.00 C ATOM 1468 C ALA A 91 3.356 -2.713 -15.768 1.00 0.00 C ATOM 1469 O ALA A 91 4.377 -2.940 -15.149 1.00 0.00 O ATOM 1470 CB ALA A 91 1.324 -2.682 -14.325 1.00 0.00 C ATOM 0 H ALA A 91 0.573 -1.602 -16.471 1.00 0.00 H new ATOM 0 HA ALA A 91 2.712 -1.048 -14.567 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.895 -3.155 -13.526 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.547 -2.052 -13.892 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.864 -3.451 -14.946 1.00 0.00 H new ATOM 1476 N PHE A 92 3.157 -3.226 -16.951 1.00 0.00 N ATOM 1477 CA PHE A 92 4.191 -4.107 -17.564 1.00 0.00 C ATOM 1478 C PHE A 92 5.293 -3.254 -18.196 1.00 0.00 C ATOM 1479 O PHE A 92 6.454 -3.613 -18.181 1.00 0.00 O ATOM 1480 CB PHE A 92 3.542 -4.978 -18.640 1.00 0.00 C ATOM 1481 CG PHE A 92 2.431 -5.799 -18.025 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.546 -6.260 -16.708 1.00 0.00 C ATOM 1483 CD2 PHE A 92 1.288 -6.097 -18.775 1.00 0.00 C ATOM 1484 CE1 PHE A 92 1.515 -7.021 -16.141 1.00 0.00 C ATOM 1485 CE2 PHE A 92 0.257 -6.858 -18.208 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.371 -7.319 -16.891 1.00 0.00 C ATOM 0 H PHE A 92 2.324 -3.073 -17.519 1.00 0.00 H new ATOM 0 HA PHE A 92 4.627 -4.741 -16.792 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.146 -4.352 -19.439 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.287 -5.634 -19.089 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.428 -6.029 -16.130 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.200 -5.741 -19.791 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.603 -7.378 -15.125 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.625 -7.089 -18.787 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.424 -7.905 -16.453 1.00 0.00 H new ATOM 1496 N ARG A 93 4.942 -2.128 -18.753 1.00 0.00 N ATOM 1497 CA ARG A 93 5.975 -1.259 -19.385 1.00 0.00 C ATOM 1498 C ARG A 93 6.270 -0.067 -18.473 1.00 0.00 C ATOM 1499 O ARG A 93 5.637 0.119 -17.453 1.00 0.00 O ATOM 1500 CB ARG A 93 5.468 -0.754 -20.739 1.00 0.00 C ATOM 1501 CG ARG A 93 3.952 -0.555 -20.684 1.00 0.00 C ATOM 1502 CD ARG A 93 3.512 0.332 -21.850 1.00 0.00 C ATOM 1503 NE ARG A 93 2.025 0.428 -21.873 1.00 0.00 N ATOM 1504 CZ ARG A 93 1.400 0.589 -23.007 1.00 0.00 C ATOM 1505 NH1 ARG A 93 1.255 -0.422 -23.820 1.00 0.00 N ATOM 1506 NH2 ARG A 93 0.922 1.760 -23.328 1.00 0.00 N ATOM 0 H ARG A 93 3.987 -1.772 -18.798 1.00 0.00 H new ATOM 0 HA ARG A 93 6.887 -1.836 -19.534 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.958 0.186 -20.994 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.722 -1.468 -21.522 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.446 -1.519 -20.735 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.669 -0.096 -19.737 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.949 1.325 -21.749 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.874 -0.081 -22.791 1.00 0.00 H new ATOM 0 HE ARG A 93 1.496 0.368 -21.003 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.630 -1.337 -23.568 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.767 -0.297 -24.707 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.037 2.549 -22.692 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.433 1.886 -24.214 1.00 0.00 H new ATOM 1520 N LYS A 94 7.232 0.741 -18.833 1.00 0.00 N ATOM 1521 CA LYS A 94 7.572 1.920 -17.987 1.00 0.00 C ATOM 1522 C LYS A 94 6.906 3.175 -18.561 1.00 0.00 C ATOM 1523 O LYS A 94 6.748 3.313 -19.757 1.00 0.00 O ATOM 1524 CB LYS A 94 9.091 2.108 -17.969 1.00 0.00 C ATOM 1525 CG LYS A 94 9.754 0.828 -17.454 1.00 0.00 C ATOM 1526 CD LYS A 94 11.273 0.953 -17.578 1.00 0.00 C ATOM 1527 CE LYS A 94 11.837 -0.301 -18.249 1.00 0.00 C ATOM 1528 NZ LYS A 94 12.982 -0.820 -17.449 1.00 0.00 N ATOM 0 H LYS A 94 7.796 0.635 -19.676 1.00 0.00 H new ATOM 0 HA LYS A 94 7.212 1.755 -16.971 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.452 2.340 -18.971 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.357 2.951 -17.331 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.477 0.656 -16.414 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.402 -0.031 -18.025 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.529 1.837 -18.162 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.719 1.082 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.062 -1.063 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.163 -0.069 -19.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.366 -1.672 -17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.724 -0.093 -17.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.656 -1.057 -16.490 1.00 0.00 H new ATOM 1542 N ARG A 95 6.514 4.087 -17.715 1.00 0.00 N ATOM 1543 CA ARG A 95 5.855 5.330 -18.209 1.00 0.00 C ATOM 1544 C ARG A 95 6.886 6.214 -18.914 1.00 0.00 C ATOM 1545 O ARG A 95 7.138 7.332 -18.511 1.00 0.00 O ATOM 1546 CB ARG A 95 5.255 6.094 -17.026 1.00 0.00 C ATOM 1547 CG ARG A 95 6.366 6.470 -16.044 1.00 0.00 C ATOM 1548 CD ARG A 95 6.128 7.888 -15.522 1.00 0.00 C ATOM 1549 NE ARG A 95 7.434 8.513 -15.168 1.00 0.00 N ATOM 1550 CZ ARG A 95 7.651 9.770 -15.442 1.00 0.00 C ATOM 1551 NH1 ARG A 95 6.717 10.655 -15.224 1.00 0.00 N ATOM 1552 NH2 ARG A 95 8.801 10.141 -15.934 1.00 0.00 N ATOM 0 H ARG A 95 6.621 4.026 -16.703 1.00 0.00 H new ATOM 0 HA ARG A 95 5.065 5.065 -18.911 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.748 6.992 -17.379 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.505 5.481 -16.526 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.386 5.764 -15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.337 6.411 -16.536 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.620 8.485 -16.279 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.477 7.861 -14.648 1.00 0.00 H new ATOM 0 HE ARG A 95 8.158 7.958 -14.712 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.818 10.364 -14.840 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.886 11.638 -15.438 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.530 9.448 -16.104 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.971 11.124 -16.148 1.00 0.00 H new ATOM 1566 N ARG A 96 7.482 5.723 -19.965 1.00 0.00 N ATOM 1567 CA ARG A 96 8.493 6.538 -20.696 1.00 0.00 C ATOM 1568 C ARG A 96 8.171 6.529 -22.193 1.00 0.00 C ATOM 1569 O ARG A 96 8.903 7.068 -22.999 1.00 0.00 O ATOM 1570 CB ARG A 96 9.885 5.947 -20.469 1.00 0.00 C ATOM 1571 CG ARG A 96 10.649 6.814 -19.468 1.00 0.00 C ATOM 1572 CD ARG A 96 11.810 7.511 -20.177 1.00 0.00 C ATOM 1573 NE ARG A 96 13.073 6.767 -19.908 1.00 0.00 N ATOM 1574 CZ ARG A 96 13.489 5.862 -20.753 1.00 0.00 C ATOM 1575 NH1 ARG A 96 12.764 4.802 -20.985 1.00 0.00 N ATOM 1576 NH2 ARG A 96 14.633 6.017 -21.365 1.00 0.00 N ATOM 0 H ARG A 96 7.313 4.793 -20.349 1.00 0.00 H new ATOM 0 HA ARG A 96 8.469 7.563 -20.326 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.802 4.927 -20.094 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.429 5.897 -21.412 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.981 7.554 -19.028 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.025 6.199 -18.651 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.622 7.554 -21.250 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.899 8.539 -19.827 1.00 0.00 H new ATOM 0 HE ARG A 96 13.612 6.964 -19.065 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.872 4.680 -20.506 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.090 4.096 -21.645 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.201 6.844 -21.183 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.958 5.310 -22.025 1.00 0.00 H new ATOM 1590 N GLN A 97 7.079 5.920 -22.570 1.00 0.00 N ATOM 1591 CA GLN A 97 6.705 5.877 -24.010 1.00 0.00 C ATOM 1592 C GLN A 97 5.185 5.742 -24.131 1.00 0.00 C ATOM 1593 O GLN A 97 4.504 5.419 -23.178 1.00 0.00 O ATOM 1594 CB GLN A 97 7.381 4.677 -24.679 1.00 0.00 C ATOM 1595 CG GLN A 97 8.613 5.151 -25.453 1.00 0.00 C ATOM 1596 CD GLN A 97 9.017 4.086 -26.472 1.00 0.00 C ATOM 1597 OE1 GLN A 97 8.214 3.668 -27.283 1.00 0.00 O ATOM 1598 NE2 GLN A 97 10.238 3.626 -26.467 1.00 0.00 N ATOM 0 H GLN A 97 6.429 5.450 -21.940 1.00 0.00 H new ATOM 0 HA GLN A 97 7.031 6.794 -24.501 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.671 3.944 -23.927 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.683 4.182 -25.354 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.397 6.091 -25.960 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.437 5.342 -24.765 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.912 3.977 -25.787 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.518 2.916 -27.144 1.00 0.00 H new ATOM 1607 N ARG A 98 4.646 5.989 -25.292 1.00 0.00 N ATOM 1608 CA ARG A 98 3.171 5.877 -25.463 1.00 0.00 C ATOM 1609 C ARG A 98 2.860 5.188 -26.793 1.00 0.00 C ATOM 1610 O ARG A 98 2.164 4.193 -26.841 1.00 0.00 O ATOM 1611 CB ARG A 98 2.548 7.274 -25.455 1.00 0.00 C ATOM 1612 CG ARG A 98 1.576 7.397 -24.279 1.00 0.00 C ATOM 1613 CD ARG A 98 0.175 7.709 -24.808 1.00 0.00 C ATOM 1614 NE ARG A 98 -0.644 8.315 -23.720 1.00 0.00 N ATOM 1615 CZ ARG A 98 -1.801 8.852 -23.997 1.00 0.00 C ATOM 1616 NH1 ARG A 98 -1.857 10.038 -24.540 1.00 0.00 N ATOM 1617 NH2 ARG A 98 -2.902 8.204 -23.731 1.00 0.00 N ATOM 0 H ARG A 98 5.162 6.263 -26.128 1.00 0.00 H new ATOM 0 HA ARG A 98 2.756 5.289 -24.644 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.329 8.031 -25.375 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.024 7.455 -26.393 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.562 6.470 -23.706 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.905 8.185 -23.602 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.238 8.393 -25.654 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.300 6.797 -25.170 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.301 8.310 -22.760 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.997 10.545 -24.748 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.761 10.458 -24.756 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.859 7.278 -23.306 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.806 8.624 -23.948 1.00 0.00 H new ATOM 1631 N GLY A 99 3.369 5.711 -27.873 1.00 0.00 N ATOM 1632 CA GLY A 99 3.103 5.089 -29.200 1.00 0.00 C ATOM 1633 C GLY A 99 3.843 5.871 -30.286 1.00 0.00 C ATOM 1634 O GLY A 99 5.057 5.927 -30.308 1.00 0.00 O ATOM 0 H GLY A 99 3.958 6.543 -27.894 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.430 4.049 -29.199 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.032 5.086 -29.404 1.00 0.00 H new ATOM 1638 N VAL A 100 3.122 6.476 -31.190 1.00 0.00 N ATOM 1639 CA VAL A 100 3.783 7.255 -32.274 1.00 0.00 C ATOM 1640 C VAL A 100 2.894 8.435 -32.670 1.00 0.00 C ATOM 1641 O VAL A 100 3.353 9.551 -32.812 1.00 0.00 O ATOM 1642 CB VAL A 100 4.001 6.352 -33.490 1.00 0.00 C ATOM 1643 CG1 VAL A 100 4.484 7.192 -34.673 1.00 0.00 C ATOM 1644 CG2 VAL A 100 5.055 5.294 -33.154 1.00 0.00 C ATOM 0 H VAL A 100 2.103 6.464 -31.224 1.00 0.00 H new ATOM 0 HA VAL A 100 4.744 7.627 -31.919 1.00 0.00 H new ATOM 0 HB VAL A 100 3.062 5.864 -33.752 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.639 6.547 -35.538 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.735 7.947 -34.913 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.423 7.681 -34.413 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.212 4.649 -34.019 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.992 5.785 -32.892 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.712 4.694 -32.311 1.00 0.00 H new ATOM 1654 N SER A 101 1.622 8.198 -32.848 1.00 0.00 N ATOM 1655 CA SER A 101 0.703 9.305 -33.234 1.00 0.00 C ATOM 1656 C SER A 101 -0.389 9.454 -32.174 1.00 0.00 C ATOM 1657 O SER A 101 -0.676 8.474 -31.506 1.00 0.00 O ATOM 1658 CB SER A 101 0.062 8.987 -34.585 1.00 0.00 C ATOM 1659 OG SER A 101 0.896 8.081 -35.297 1.00 0.00 O ATOM 1660 OXT SER A 101 -0.921 10.545 -32.048 1.00 0.00 O ATOM 0 H SER A 101 1.180 7.285 -32.742 1.00 0.00 H new ATOM 0 HA SER A 101 1.266 10.235 -33.309 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.926 8.552 -34.438 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.075 9.903 -35.160 1.00 0.00 H new ATOM 0 HG SER A 101 0.488 7.873 -36.163 1.00 0.00 H new TER 1666 SER A 101