USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 934 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 52 TYR OH : rot 124:sc= 1.11 USER MOD Set 1.2: A 65 GLN : amide:sc= -8.22! C(o=-7.1!,f=-12!) USER MOD Set 2.1: A 54 GLN : amide:sc= -1.62 X(o=-2.3,f=-2.5) USER MOD Set 2.2: A 88 TYR OH : rot 99:sc= -0.633 USER MOD Set 3.1: A 22 HIS : no HE2:sc= 0.443 K(o=1.3,f=-4.1!) USER MOD Set 3.2: A 37 THR OG1 : rot -105:sc= 0.872 USER MOD Set 4.1: A 33 GLN : amide:sc= -2.16 K(o=-2.2,f=-4.9!) USER MOD Set 4.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 28 THR OG1 : rot 150:sc= -0.499 USER MOD Set 5.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 31 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 0.723 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0718 K(o=-0.072,f=-1.7!) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc=-0.00214 (180deg=-1.07) USER MOD Single : A 23 ASN : amide:sc= -0.349 K(o=-0.35,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 51 MET CE :methyl 150:sc= -0.431 (180deg=-0.953) USER MOD Single : A 55 THR OG1 : rot -63:sc= -0.276 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 61 THR OG1 : rot -57:sc= -1.38 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 18:sc= 0.925 USER MOD Single : A 66 ASN :FLIP amide:sc= 1 F(o=-0.012,f=1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.131 F(o=-1.3,f=-0.13) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= -1.03 (180deg=-1.68) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7.2!) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.98! C(o=-3.4!,f=-2!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 90:sc= 0.608 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 111 THR OG1 : rot 175:sc= 0.91 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.664 24.419 12.174 1.00 0.00 N ATOM 2 CA GLY A 1 -24.919 23.246 12.593 1.00 0.00 C ATOM 3 C GLY A 1 -25.543 22.562 13.793 1.00 0.00 C ATOM 4 O GLY A 1 -25.938 23.220 14.756 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.197 24.851 11.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.633 24.141 11.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.696 25.106 12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.863 22.540 11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.896 23.536 12.835 1.00 0.00 H new ATOM 8 N SER A 2 -25.634 21.237 13.736 1.00 0.00 N ATOM 9 CA SER A 2 -26.219 20.463 14.824 1.00 0.00 C ATOM 10 C SER A 2 -25.152 20.050 15.833 1.00 0.00 C ATOM 11 O SER A 2 -24.397 19.106 15.603 1.00 0.00 O ATOM 12 CB SER A 2 -26.924 19.222 14.274 1.00 0.00 C ATOM 13 OG SER A 2 -27.988 18.822 15.121 1.00 0.00 O ATOM 0 H SER A 2 -25.310 20.677 12.947 1.00 0.00 H new ATOM 0 HA SER A 2 -26.950 21.092 15.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.309 19.431 13.276 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.207 18.407 14.175 1.00 0.00 H new ATOM 0 HG SER A 2 -28.423 18.028 14.746 1.00 0.00 H new ATOM 19 N SER A 3 -25.096 20.765 16.952 1.00 0.00 N ATOM 20 CA SER A 3 -24.119 20.477 17.995 1.00 0.00 C ATOM 21 C SER A 3 -24.373 19.106 18.614 1.00 0.00 C ATOM 22 O SER A 3 -25.386 18.890 19.278 1.00 0.00 O ATOM 23 CB SER A 3 -24.167 21.555 19.080 1.00 0.00 C ATOM 24 OG SER A 3 -23.338 22.654 18.743 1.00 0.00 O ATOM 0 H SER A 3 -25.716 21.548 17.159 1.00 0.00 H new ATOM 0 HA SER A 3 -23.129 20.473 17.539 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.194 21.897 19.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.846 21.132 20.032 1.00 0.00 H new ATOM 0 HG SER A 3 -23.387 23.330 19.451 1.00 0.00 H new ATOM 30 N GLY A 4 -23.445 18.181 18.389 1.00 0.00 N ATOM 31 CA GLY A 4 -23.586 16.842 18.930 1.00 0.00 C ATOM 32 C GLY A 4 -22.793 15.814 18.147 1.00 0.00 C ATOM 33 O GLY A 4 -21.737 16.123 17.596 1.00 0.00 O ATOM 0 H GLY A 4 -22.598 18.335 17.842 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.256 16.837 19.969 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.639 16.562 18.929 1.00 0.00 H new ATOM 37 N SER A 5 -23.302 14.587 18.100 1.00 0.00 N ATOM 38 CA SER A 5 -22.631 13.508 17.384 1.00 0.00 C ATOM 39 C SER A 5 -23.244 13.311 16.001 1.00 0.00 C ATOM 40 O SER A 5 -23.336 12.189 15.504 1.00 0.00 O ATOM 41 CB SER A 5 -22.717 12.206 18.182 1.00 0.00 C ATOM 42 OG SER A 5 -21.641 11.341 17.866 1.00 0.00 O ATOM 0 H SER A 5 -24.177 14.315 18.549 1.00 0.00 H new ATOM 0 HA SER A 5 -21.583 13.783 17.263 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.707 12.429 19.249 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.663 11.707 17.969 1.00 0.00 H new ATOM 0 HG SER A 5 -21.719 10.517 18.391 1.00 0.00 H new ATOM 48 N SER A 6 -23.661 14.412 15.383 1.00 0.00 N ATOM 49 CA SER A 6 -24.269 14.361 14.059 1.00 0.00 C ATOM 50 C SER A 6 -23.212 14.118 12.985 1.00 0.00 C ATOM 51 O SER A 6 -22.282 14.906 12.824 1.00 0.00 O ATOM 52 CB SER A 6 -25.017 15.664 13.768 1.00 0.00 C ATOM 53 OG SER A 6 -24.115 16.743 13.595 1.00 0.00 O ATOM 0 H SER A 6 -23.589 15.350 15.778 1.00 0.00 H new ATOM 0 HA SER A 6 -24.977 13.532 14.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.624 15.546 12.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.700 15.885 14.588 1.00 0.00 H new ATOM 0 HG SER A 6 -23.232 16.395 13.349 1.00 0.00 H new ATOM 59 N GLY A 7 -23.364 13.019 12.252 1.00 0.00 N ATOM 60 CA GLY A 7 -22.417 12.689 11.204 1.00 0.00 C ATOM 61 C GLY A 7 -23.056 12.674 9.829 1.00 0.00 C ATOM 62 O GLY A 7 -23.157 11.623 9.196 1.00 0.00 O ATOM 0 H GLY A 7 -24.127 12.351 12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.602 13.412 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.979 11.712 11.409 1.00 0.00 H new ATOM 66 N ARG A 8 -23.491 13.841 9.367 1.00 0.00 N ATOM 67 CA ARG A 8 -24.127 13.957 8.060 1.00 0.00 C ATOM 68 C ARG A 8 -23.094 13.847 6.942 1.00 0.00 C ATOM 69 O ARG A 8 -23.239 13.034 6.030 1.00 0.00 O ATOM 70 CB ARG A 8 -24.875 15.287 7.949 1.00 0.00 C ATOM 71 CG ARG A 8 -26.149 15.202 7.125 1.00 0.00 C ATOM 72 CD ARG A 8 -25.875 15.449 5.649 1.00 0.00 C ATOM 73 NE ARG A 8 -27.108 15.562 4.875 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.196 16.219 3.724 1.00 0.00 C ATOM 75 NH1 ARG A 8 -26.127 16.817 3.215 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.353 16.277 3.078 1.00 0.00 N ATOM 0 H ARG A 8 -23.415 14.720 9.878 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.839 13.138 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -25.123 15.639 8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.213 16.030 7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.601 14.219 7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.869 15.934 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.291 16.363 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.271 14.634 5.251 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.948 15.112 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.235 16.773 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.197 17.321 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.177 15.817 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.419 16.782 2.194 1.00 0.00 H new ATOM 90 N GLN A 9 -22.055 14.672 7.020 1.00 0.00 N ATOM 91 CA GLN A 9 -21.000 14.667 6.014 1.00 0.00 C ATOM 92 C GLN A 9 -20.490 13.251 5.765 1.00 0.00 C ATOM 93 O GLN A 9 -19.869 12.975 4.739 1.00 0.00 O ATOM 94 CB GLN A 9 -19.844 15.568 6.452 1.00 0.00 C ATOM 95 CG GLN A 9 -18.618 15.464 5.559 1.00 0.00 C ATOM 96 CD GLN A 9 -17.743 16.700 5.622 1.00 0.00 C ATOM 97 OE1 GLN A 9 -17.514 17.365 4.611 1.00 0.00 O ATOM 98 NE2 GLN A 9 -17.249 17.015 6.814 1.00 0.00 N ATOM 0 H GLN A 9 -21.921 15.352 7.769 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.419 15.051 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.186 16.603 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.562 15.312 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.032 14.593 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.936 15.301 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.465 16.435 7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -16.654 17.837 6.918 1.00 0.00 H new ATOM 107 N VAL A 10 -20.757 12.357 6.712 1.00 0.00 N ATOM 108 CA VAL A 10 -20.327 10.969 6.595 1.00 0.00 C ATOM 109 C VAL A 10 -20.872 10.329 5.323 1.00 0.00 C ATOM 110 O VAL A 10 -20.123 10.055 4.386 1.00 0.00 O ATOM 111 CB VAL A 10 -20.780 10.137 7.809 1.00 0.00 C ATOM 112 CG1 VAL A 10 -20.626 8.650 7.526 1.00 0.00 C ATOM 113 CG2 VAL A 10 -19.996 10.535 9.051 1.00 0.00 C ATOM 0 H VAL A 10 -21.269 12.569 7.568 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.238 10.978 6.555 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.835 10.340 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.951 8.079 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.236 8.378 6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.580 8.426 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -20.329 9.937 9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.933 10.363 8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -20.163 11.591 9.264 1.00 0.00 H new ATOM 123 N GLN A 11 -22.180 10.096 5.297 1.00 0.00 N ATOM 124 CA GLN A 11 -22.825 9.489 4.139 1.00 0.00 C ATOM 125 C GLN A 11 -23.114 10.534 3.067 1.00 0.00 C ATOM 126 O GLN A 11 -24.057 10.395 2.288 1.00 0.00 O ATOM 127 CB GLN A 11 -24.123 8.797 4.557 1.00 0.00 C ATOM 128 CG GLN A 11 -24.010 8.027 5.863 1.00 0.00 C ATOM 129 CD GLN A 11 -25.121 7.012 6.041 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.874 6.729 5.109 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.230 6.456 7.242 1.00 0.00 N ATOM 0 H GLN A 11 -22.814 10.318 6.065 1.00 0.00 H new ATOM 0 HA GLN A 11 -22.144 8.747 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.909 9.546 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.430 8.112 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.048 7.516 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -24.028 8.729 6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.585 6.720 7.986 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.959 5.765 7.420 1.00 0.00 H new ATOM 140 N LYS A 12 -22.296 11.581 3.032 1.00 0.00 N ATOM 141 CA LYS A 12 -22.463 12.650 2.055 1.00 0.00 C ATOM 142 C LYS A 12 -21.179 12.865 1.260 1.00 0.00 C ATOM 143 O LYS A 12 -21.208 13.396 0.150 1.00 0.00 O ATOM 144 CB LYS A 12 -22.865 13.950 2.755 1.00 0.00 C ATOM 145 CG LYS A 12 -23.039 15.123 1.806 1.00 0.00 C ATOM 146 CD LYS A 12 -24.347 15.032 1.039 1.00 0.00 C ATOM 147 CE LYS A 12 -24.405 16.050 -0.090 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.476 17.445 0.425 1.00 0.00 N ATOM 0 H LYS A 12 -21.511 11.712 3.669 1.00 0.00 H new ATOM 0 HA LYS A 12 -23.253 12.357 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.798 13.789 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.107 14.203 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.011 16.055 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.206 15.150 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.461 14.028 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -25.182 15.196 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -23.524 15.941 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.274 15.849 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.389 17.867 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.386 17.438 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.703 18.007 0.014 1.00 0.00 H new ATOM 162 N GLU A 13 -20.055 12.447 1.834 1.00 0.00 N ATOM 163 CA GLU A 13 -18.762 12.593 1.177 1.00 0.00 C ATOM 164 C GLU A 13 -18.067 11.242 1.035 1.00 0.00 C ATOM 165 O GLU A 13 -17.353 10.997 0.062 1.00 0.00 O ATOM 166 CB GLU A 13 -17.871 13.557 1.964 1.00 0.00 C ATOM 167 CG GLU A 13 -16.385 13.298 1.782 1.00 0.00 C ATOM 168 CD GLU A 13 -15.929 13.498 0.350 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.783 13.438 -0.559 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.717 13.715 0.139 1.00 0.00 O ATOM 0 H GLU A 13 -20.014 12.005 2.752 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.934 13.000 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.094 14.578 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.117 13.483 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.821 13.964 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.157 12.278 2.093 1.00 0.00 H new ATOM 177 N LEU A 14 -18.281 10.368 2.012 1.00 0.00 N ATOM 178 CA LEU A 14 -17.676 9.041 1.998 1.00 0.00 C ATOM 179 C LEU A 14 -17.704 8.445 0.594 1.00 0.00 C ATOM 180 O LEU A 14 -16.661 8.228 -0.021 1.00 0.00 O ATOM 181 CB LEU A 14 -18.407 8.115 2.972 1.00 0.00 C ATOM 182 CG LEU A 14 -17.918 6.667 3.016 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.821 6.505 4.056 1.00 0.00 C ATOM 184 CD2 LEU A 14 -19.075 5.722 3.307 1.00 0.00 C ATOM 0 H LEU A 14 -18.869 10.554 2.824 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.636 9.139 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.324 8.536 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.466 8.112 2.714 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.505 6.414 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.486 5.468 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.982 7.154 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.208 6.777 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.709 4.696 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.518 5.975 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.828 5.817 2.525 1.00 0.00 H new ATOM 196 N GLY A 15 -18.907 8.183 0.091 1.00 0.00 N ATOM 197 CA GLY A 15 -19.049 7.617 -1.237 1.00 0.00 C ATOM 198 C GLY A 15 -18.412 8.481 -2.307 1.00 0.00 C ATOM 199 O GLY A 15 -18.065 7.993 -3.383 1.00 0.00 O ATOM 0 H GLY A 15 -19.786 8.353 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.595 6.626 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.108 7.487 -1.462 1.00 0.00 H new ATOM 203 N ASP A 16 -18.259 9.767 -2.013 1.00 0.00 N ATOM 204 CA ASP A 16 -17.659 10.702 -2.958 1.00 0.00 C ATOM 205 C ASP A 16 -16.153 10.801 -2.742 1.00 0.00 C ATOM 206 O ASP A 16 -15.581 11.892 -2.773 1.00 0.00 O ATOM 207 CB ASP A 16 -18.300 12.083 -2.818 1.00 0.00 C ATOM 208 CG ASP A 16 -19.650 12.168 -3.502 1.00 0.00 C ATOM 209 OD1 ASP A 16 -19.684 12.476 -4.711 1.00 0.00 O ATOM 210 OD2 ASP A 16 -20.674 11.926 -2.828 1.00 0.00 O ATOM 0 H ASP A 16 -18.542 10.186 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.839 10.328 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.416 12.321 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.633 12.834 -3.242 1.00 0.00 H new ATOM 215 N VAL A 17 -15.514 9.656 -2.523 1.00 0.00 N ATOM 216 CA VAL A 17 -14.074 9.615 -2.302 1.00 0.00 C ATOM 217 C VAL A 17 -13.425 8.498 -3.112 1.00 0.00 C ATOM 218 O VAL A 17 -13.563 7.318 -2.786 1.00 0.00 O ATOM 219 CB VAL A 17 -13.740 9.412 -0.812 1.00 0.00 C ATOM 220 CG1 VAL A 17 -12.259 9.119 -0.631 1.00 0.00 C ATOM 221 CG2 VAL A 17 -14.154 10.633 -0.003 1.00 0.00 C ATOM 0 H VAL A 17 -15.971 8.745 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.677 10.576 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.302 8.553 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.043 8.979 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.998 8.213 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.673 9.955 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.911 10.473 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.621 11.510 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.227 10.792 -0.107 1.00 0.00 H new ATOM 231 N LEU A 18 -12.718 8.877 -4.171 1.00 0.00 N ATOM 232 CA LEU A 18 -12.047 7.908 -5.030 1.00 0.00 C ATOM 233 C LEU A 18 -10.631 7.630 -4.534 1.00 0.00 C ATOM 234 O LEU A 18 -9.782 8.521 -4.518 1.00 0.00 O ATOM 235 CB LEU A 18 -12.004 8.418 -6.471 1.00 0.00 C ATOM 236 CG LEU A 18 -11.997 7.346 -7.562 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.359 6.678 -7.662 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.598 7.951 -8.901 1.00 0.00 C ATOM 0 H LEU A 18 -12.595 9.849 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.613 6.977 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.865 9.066 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.114 9.036 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.262 6.587 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.335 5.918 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.606 6.211 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.114 7.426 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.598 7.174 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.310 8.730 -9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.600 8.382 -8.822 1.00 0.00 H new ATOM 250 N VAL A 19 -10.384 6.387 -4.133 1.00 0.00 N ATOM 251 CA VAL A 19 -9.070 5.990 -3.640 1.00 0.00 C ATOM 252 C VAL A 19 -8.342 5.119 -4.657 1.00 0.00 C ATOM 253 O VAL A 19 -8.820 4.046 -5.026 1.00 0.00 O ATOM 254 CB VAL A 19 -9.178 5.224 -2.308 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.807 4.745 -1.855 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.826 6.096 -1.244 1.00 0.00 C ATOM 0 H VAL A 19 -11.076 5.638 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.502 6.906 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.809 4.349 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.903 4.206 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.385 4.082 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.149 5.603 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.894 5.539 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.223 6.991 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.826 6.384 -1.569 1.00 0.00 H new ATOM 266 N ARG A 20 -7.182 5.587 -5.107 1.00 0.00 N ATOM 267 CA ARG A 20 -6.388 4.851 -6.083 1.00 0.00 C ATOM 268 C ARG A 20 -5.267 4.075 -5.397 1.00 0.00 C ATOM 269 O ARG A 20 -4.412 4.658 -4.729 1.00 0.00 O ATOM 270 CB ARG A 20 -5.799 5.809 -7.120 1.00 0.00 C ATOM 271 CG ARG A 20 -6.848 6.594 -7.889 1.00 0.00 C ATOM 272 CD ARG A 20 -6.266 7.218 -9.147 1.00 0.00 C ATOM 273 NE ARG A 20 -7.303 7.769 -10.016 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.947 8.903 -9.763 1.00 0.00 C ATOM 275 NH1 ARG A 20 -7.662 9.603 -8.674 1.00 0.00 N ATOM 276 NH2 ARG A 20 -8.878 9.339 -10.601 1.00 0.00 N ATOM 0 H ARG A 20 -6.771 6.473 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.044 4.141 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.130 6.508 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.194 5.240 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.673 5.934 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.259 7.376 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.568 8.008 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.696 6.467 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.546 7.255 -10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.946 9.271 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.158 10.473 -8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.100 8.803 -11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.372 10.210 -10.406 1.00 0.00 H new ATOM 290 N LEU A 21 -5.278 2.757 -5.566 1.00 0.00 N ATOM 291 CA LEU A 21 -4.262 1.901 -4.963 1.00 0.00 C ATOM 292 C LEU A 21 -3.151 1.588 -5.960 1.00 0.00 C ATOM 293 O LEU A 21 -3.361 0.862 -6.932 1.00 0.00 O ATOM 294 CB LEU A 21 -4.895 0.600 -4.463 1.00 0.00 C ATOM 295 CG LEU A 21 -3.959 -0.365 -3.736 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.288 0.326 -2.560 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.722 -1.596 -3.268 1.00 0.00 C ATOM 0 H LEU A 21 -5.978 2.258 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.827 2.435 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.716 0.853 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.330 0.079 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.185 -0.684 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.626 -0.377 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.709 1.176 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.048 0.675 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.040 -2.272 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.518 -1.294 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.155 -2.105 -4.129 1.00 0.00 H new ATOM 309 N HIS A 22 -1.968 2.140 -5.711 1.00 0.00 N ATOM 310 CA HIS A 22 -0.822 1.918 -6.586 1.00 0.00 C ATOM 311 C HIS A 22 -0.262 0.511 -6.402 1.00 0.00 C ATOM 312 O HIS A 22 -0.359 -0.070 -5.321 1.00 0.00 O ATOM 313 CB HIS A 22 0.269 2.953 -6.305 1.00 0.00 C ATOM 314 CG HIS A 22 -0.167 4.364 -6.554 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.519 5.230 -7.379 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.229 5.059 -6.082 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.100 6.397 -7.402 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.164 6.319 -6.623 1.00 0.00 N ATOM 0 H HIS A 22 -1.778 2.744 -4.911 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.158 2.025 -7.617 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.590 2.858 -5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.136 2.734 -6.928 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.372 5.005 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.986 4.691 -5.406 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.211 7.266 -7.962 1.00 0.00 H new ATOM 327 N ASN A 23 0.322 -0.032 -7.465 1.00 0.00 N ATOM 328 CA ASN A 23 0.895 -1.373 -7.421 1.00 0.00 C ATOM 329 C ASN A 23 1.731 -1.566 -6.159 1.00 0.00 C ATOM 330 O ASN A 23 2.693 -0.842 -5.906 1.00 0.00 O ATOM 331 CB ASN A 23 1.757 -1.622 -8.660 1.00 0.00 C ATOM 332 CG ASN A 23 2.331 -3.025 -8.692 1.00 0.00 C ATOM 333 OD1 ASN A 23 3.156 -3.390 -7.854 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.896 -3.821 -9.662 1.00 0.00 N ATOM 0 H ASN A 23 0.411 0.435 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 23 0.075 -2.091 -7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.158 -1.457 -9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.572 -0.898 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.246 -4.776 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.211 -3.477 -10.335 1.00 0.00 H new ATOM 341 N PRO A 24 1.355 -2.566 -5.348 1.00 0.00 N ATOM 342 CA PRO A 24 2.057 -2.879 -4.100 1.00 0.00 C ATOM 343 C PRO A 24 3.443 -3.467 -4.346 1.00 0.00 C ATOM 344 O PRO A 24 3.595 -4.678 -4.506 1.00 0.00 O ATOM 345 CB PRO A 24 1.149 -3.913 -3.432 1.00 0.00 C ATOM 346 CG PRO A 24 0.405 -4.547 -4.556 1.00 0.00 C ATOM 347 CD PRO A 24 0.217 -3.469 -5.588 1.00 0.00 C ATOM 0 HA PRO A 24 2.229 -1.989 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.730 -4.649 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.468 -3.442 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.962 -5.388 -4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.556 -4.936 -4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.232 -3.874 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.737 -2.956 -5.464 1.00 0.00 H new ATOM 355 N VAL A 25 4.452 -2.601 -4.374 1.00 0.00 N ATOM 356 CA VAL A 25 5.825 -3.035 -4.598 1.00 0.00 C ATOM 357 C VAL A 25 6.260 -4.049 -3.546 1.00 0.00 C ATOM 358 O VAL A 25 6.290 -3.748 -2.353 1.00 0.00 O ATOM 359 CB VAL A 25 6.800 -1.843 -4.580 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.227 -2.317 -4.809 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.399 -0.811 -5.623 1.00 0.00 C ATOM 0 H VAL A 25 4.343 -1.595 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 25 5.852 -3.503 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 25 6.752 -1.372 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.902 -1.461 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.509 -3.016 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.294 -2.814 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.099 0.024 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.417 -1.268 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.393 -0.449 -5.409 1.00 0.00 H new ATOM 371 N VAL A 26 6.597 -5.254 -3.997 1.00 0.00 N ATOM 372 CA VAL A 26 7.032 -6.313 -3.095 1.00 0.00 C ATOM 373 C VAL A 26 8.470 -6.091 -2.639 1.00 0.00 C ATOM 374 O VAL A 26 9.416 -6.523 -3.298 1.00 0.00 O ATOM 375 CB VAL A 26 6.925 -7.697 -3.762 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.759 -7.743 -5.033 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.355 -8.789 -2.794 1.00 0.00 C ATOM 0 H VAL A 26 6.577 -5.520 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 26 6.371 -6.283 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 26 5.884 -7.871 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.671 -8.728 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.401 -6.986 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.803 -7.548 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.273 -9.760 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.389 -8.621 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.712 -8.769 -1.914 1.00 0.00 H new ATOM 387 N LEU A 27 8.627 -5.413 -1.507 1.00 0.00 N ATOM 388 CA LEU A 27 9.951 -5.133 -0.961 1.00 0.00 C ATOM 389 C LEU A 27 10.633 -6.417 -0.499 1.00 0.00 C ATOM 390 O LEU A 27 11.774 -6.695 -0.869 1.00 0.00 O ATOM 391 CB LEU A 27 9.845 -4.150 0.207 1.00 0.00 C ATOM 392 CG LEU A 27 9.097 -2.848 -0.078 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.007 -1.997 1.180 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.778 -2.075 -1.198 1.00 0.00 C ATOM 0 H LEU A 27 7.855 -5.047 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 27 10.555 -4.687 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.351 -4.655 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.853 -3.901 0.539 1.00 0.00 H new ATOM 0 HG LEU A 27 8.085 -3.096 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.471 -1.074 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.474 -2.548 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.011 -1.758 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.231 -1.151 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.801 -1.838 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.790 -2.681 -2.104 1.00 0.00 H new ATOM 406 N THR A 28 9.925 -7.199 0.309 1.00 0.00 N ATOM 407 CA THR A 28 10.461 -8.455 0.820 1.00 0.00 C ATOM 408 C THR A 28 9.400 -9.550 0.811 1.00 0.00 C ATOM 409 O THR A 28 8.200 -9.284 0.747 1.00 0.00 O ATOM 410 CB THR A 28 11.002 -8.292 2.253 1.00 0.00 C ATOM 411 OG1 THR A 28 10.284 -7.257 2.934 1.00 0.00 O ATOM 412 CG2 THR A 28 12.487 -7.960 2.236 1.00 0.00 C ATOM 0 H THR A 28 8.979 -6.985 0.624 1.00 0.00 H new ATOM 0 HA THR A 28 11.280 -8.741 0.160 1.00 0.00 H new ATOM 0 HB THR A 28 10.863 -9.236 2.780 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.258 -7.454 3.894 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.847 -7.850 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.034 -8.764 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.645 -7.028 1.693 1.00 0.00 H new ATOM 420 N PRO A 29 9.850 -10.811 0.878 1.00 0.00 N ATOM 421 CA PRO A 29 8.955 -11.972 0.880 1.00 0.00 C ATOM 422 C PRO A 29 8.156 -12.085 2.174 1.00 0.00 C ATOM 423 O PRO A 29 7.376 -13.021 2.354 1.00 0.00 O ATOM 424 CB PRO A 29 9.912 -13.158 0.737 1.00 0.00 C ATOM 425 CG PRO A 29 11.208 -12.668 1.285 1.00 0.00 C ATOM 426 CD PRO A 29 11.268 -11.202 0.956 1.00 0.00 C ATOM 0 HA PRO A 29 8.208 -11.912 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.552 -14.026 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.012 -13.462 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.262 -12.829 2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.047 -13.203 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.798 -10.639 1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.787 -11.022 0.014 1.00 0.00 H new ATOM 434 N THR A 30 8.354 -11.126 3.072 1.00 0.00 N ATOM 435 CA THR A 30 7.652 -11.118 4.349 1.00 0.00 C ATOM 436 C THR A 30 7.105 -9.732 4.668 1.00 0.00 C ATOM 437 O THR A 30 6.552 -9.503 5.745 1.00 0.00 O ATOM 438 CB THR A 30 8.572 -11.572 5.499 1.00 0.00 C ATOM 439 OG1 THR A 30 9.684 -10.677 5.617 1.00 0.00 O ATOM 440 CG2 THR A 30 9.076 -12.987 5.262 1.00 0.00 C ATOM 0 H THR A 30 8.995 -10.344 2.938 1.00 0.00 H new ATOM 0 HA THR A 30 6.823 -11.820 4.258 1.00 0.00 H new ATOM 0 HB THR A 30 7.996 -11.560 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.264 -10.970 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.723 -13.286 6.087 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.228 -13.670 5.201 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.638 -13.022 4.329 1.00 0.00 H new ATOM 448 N THR A 31 7.261 -8.808 3.725 1.00 0.00 N ATOM 449 CA THR A 31 6.784 -7.443 3.906 1.00 0.00 C ATOM 450 C THR A 31 6.563 -6.755 2.564 1.00 0.00 C ATOM 451 O THR A 31 7.430 -6.782 1.691 1.00 0.00 O ATOM 452 CB THR A 31 7.772 -6.607 4.741 1.00 0.00 C ATOM 453 OG1 THR A 31 8.388 -7.430 5.739 1.00 0.00 O ATOM 454 CG2 THR A 31 7.064 -5.437 5.407 1.00 0.00 C ATOM 0 H THR A 31 7.714 -8.981 2.828 1.00 0.00 H new ATOM 0 HA THR A 31 5.835 -7.509 4.439 1.00 0.00 H new ATOM 0 HB THR A 31 8.537 -6.214 4.072 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.016 -6.892 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.782 -4.862 5.991 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.622 -4.797 4.644 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.280 -5.813 6.064 1.00 0.00 H new ATOM 462 N VAL A 32 5.396 -6.139 2.405 1.00 0.00 N ATOM 463 CA VAL A 32 5.061 -5.442 1.168 1.00 0.00 C ATOM 464 C VAL A 32 4.606 -4.014 1.448 1.00 0.00 C ATOM 465 O VAL A 32 3.873 -3.763 2.404 1.00 0.00 O ATOM 466 CB VAL A 32 3.955 -6.179 0.390 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.631 -5.445 -0.902 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.370 -7.615 0.107 1.00 0.00 C ATOM 0 H VAL A 32 4.666 -6.108 3.117 1.00 0.00 H new ATOM 0 HA VAL A 32 5.967 -5.419 0.562 1.00 0.00 H new ATOM 0 HB VAL A 32 3.055 -6.199 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.848 -5.981 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.288 -4.436 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.525 -5.391 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.577 -8.121 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.284 -7.619 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.547 -8.135 1.049 1.00 0.00 H new ATOM 478 N GLN A 33 5.044 -3.083 0.607 1.00 0.00 N ATOM 479 CA GLN A 33 4.681 -1.680 0.764 1.00 0.00 C ATOM 480 C GLN A 33 3.356 -1.380 0.072 1.00 0.00 C ATOM 481 O GLN A 33 3.156 -1.735 -1.090 1.00 0.00 O ATOM 482 CB GLN A 33 5.781 -0.780 0.199 1.00 0.00 C ATOM 483 CG GLN A 33 5.428 0.698 0.218 1.00 0.00 C ATOM 484 CD GLN A 33 5.109 1.204 1.611 1.00 0.00 C ATOM 485 OE1 GLN A 33 5.314 0.501 2.601 1.00 0.00 O ATOM 486 NE2 GLN A 33 4.604 2.429 1.695 1.00 0.00 N ATOM 0 H GLN A 33 5.651 -3.275 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 33 4.568 -1.477 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.695 -0.934 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.994 -1.081 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.260 1.272 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.571 0.871 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.451 2.977 0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.370 2.823 2.606 1.00 0.00 H new ATOM 495 N VAL A 34 2.452 -0.723 0.793 1.00 0.00 N ATOM 496 CA VAL A 34 1.146 -0.375 0.247 1.00 0.00 C ATOM 497 C VAL A 34 0.961 1.138 0.188 1.00 0.00 C ATOM 498 O VAL A 34 0.966 1.816 1.216 1.00 0.00 O ATOM 499 CB VAL A 34 0.007 -0.988 1.083 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.322 -0.856 0.354 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.306 -2.445 1.403 1.00 0.00 C ATOM 0 H VAL A 34 2.601 -0.421 1.756 1.00 0.00 H new ATOM 0 HA VAL A 34 1.106 -0.783 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.066 -0.440 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.115 -1.295 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.539 0.198 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.266 -1.377 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.509 -2.862 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.407 -3.008 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.235 -2.510 1.969 1.00 0.00 H new ATOM 511 N THR A 35 0.797 1.662 -1.022 1.00 0.00 N ATOM 512 CA THR A 35 0.611 3.094 -1.216 1.00 0.00 C ATOM 513 C THR A 35 -0.657 3.381 -2.012 1.00 0.00 C ATOM 514 O THR A 35 -1.011 2.634 -2.924 1.00 0.00 O ATOM 515 CB THR A 35 1.814 3.723 -1.945 1.00 0.00 C ATOM 516 OG1 THR A 35 3.037 3.211 -1.404 1.00 0.00 O ATOM 517 CG2 THR A 35 1.792 5.239 -1.816 1.00 0.00 C ATOM 0 H THR A 35 0.789 1.115 -1.883 1.00 0.00 H new ATOM 0 HA THR A 35 0.523 3.538 -0.225 1.00 0.00 H new ATOM 0 HB THR A 35 1.748 3.463 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.797 3.614 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.651 5.661 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.873 5.628 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.836 5.515 -0.763 1.00 0.00 H new ATOM 525 N TRP A 36 -1.336 4.467 -1.662 1.00 0.00 N ATOM 526 CA TRP A 36 -2.566 4.853 -2.345 1.00 0.00 C ATOM 527 C TRP A 36 -2.717 6.369 -2.379 1.00 0.00 C ATOM 528 O TRP A 36 -2.101 7.083 -1.587 1.00 0.00 O ATOM 529 CB TRP A 36 -3.776 4.222 -1.654 1.00 0.00 C ATOM 530 CG TRP A 36 -3.976 4.705 -0.249 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.718 5.779 0.151 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.425 4.130 0.941 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.661 5.908 1.518 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.875 4.908 2.026 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.597 3.034 1.196 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.523 4.623 3.342 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.248 2.752 2.503 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.711 3.543 3.563 1.00 0.00 C ATOM 0 H TRP A 36 -1.056 5.096 -0.909 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.512 4.490 -3.371 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.672 4.439 -2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.656 3.139 -1.645 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.269 6.432 -0.510 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.128 6.631 2.065 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.236 2.418 0.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.878 5.232 4.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.608 1.908 2.711 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.422 3.296 4.574 1.00 0.00 H new ATOM 549 N THR A 37 -3.542 6.857 -3.300 1.00 0.00 N ATOM 550 CA THR A 37 -3.773 8.290 -3.438 1.00 0.00 C ATOM 551 C THR A 37 -5.264 8.604 -3.482 1.00 0.00 C ATOM 552 O THR A 37 -6.030 7.932 -4.173 1.00 0.00 O ATOM 553 CB THR A 37 -3.104 8.847 -4.708 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.443 8.035 -5.837 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.592 8.896 -4.547 1.00 0.00 C ATOM 0 H THR A 37 -4.062 6.281 -3.962 1.00 0.00 H new ATOM 0 HA THR A 37 -3.330 8.768 -2.564 1.00 0.00 H new ATOM 0 HB THR A 37 -3.469 9.861 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.675 7.477 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.142 9.293 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.336 9.540 -3.705 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.213 7.891 -4.363 1.00 0.00 H new ATOM 563 N VAL A 38 -5.670 9.631 -2.742 1.00 0.00 N ATOM 564 CA VAL A 38 -7.070 10.036 -2.698 1.00 0.00 C ATOM 565 C VAL A 38 -7.271 11.391 -3.368 1.00 0.00 C ATOM 566 O VAL A 38 -6.500 12.325 -3.146 1.00 0.00 O ATOM 567 CB VAL A 38 -7.588 10.109 -1.250 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.264 8.826 -0.501 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.001 11.316 -0.535 1.00 0.00 C ATOM 0 H VAL A 38 -5.049 10.198 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.636 9.278 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.672 10.222 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.638 8.897 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.737 7.982 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.184 8.678 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.378 11.352 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.914 11.236 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.290 12.226 -1.061 1.00 0.00 H new ATOM 579 N ASP A 39 -8.312 11.491 -4.187 1.00 0.00 N ATOM 580 CA ASP A 39 -8.616 12.733 -4.888 1.00 0.00 C ATOM 581 C ASP A 39 -9.179 13.775 -3.928 1.00 0.00 C ATOM 582 O ASP A 39 -8.703 14.909 -3.878 1.00 0.00 O ATOM 583 CB ASP A 39 -9.612 12.473 -6.020 1.00 0.00 C ATOM 584 CG ASP A 39 -9.620 13.586 -7.050 1.00 0.00 C ATOM 585 OD1 ASP A 39 -9.447 14.759 -6.658 1.00 0.00 O ATOM 586 OD2 ASP A 39 -9.800 13.283 -8.248 1.00 0.00 O ATOM 0 H ASP A 39 -8.959 10.727 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.689 13.119 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.364 11.531 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.612 12.362 -5.602 1.00 0.00 H new ATOM 591 N ARG A 40 -10.197 13.384 -3.168 1.00 0.00 N ATOM 592 CA ARG A 40 -10.826 14.285 -2.210 1.00 0.00 C ATOM 593 C ARG A 40 -10.628 13.786 -0.782 1.00 0.00 C ATOM 594 O ARG A 40 -11.543 13.228 -0.177 1.00 0.00 O ATOM 595 CB ARG A 40 -12.320 14.421 -2.511 1.00 0.00 C ATOM 596 CG ARG A 40 -12.616 15.176 -3.797 1.00 0.00 C ATOM 597 CD ARG A 40 -14.109 15.237 -4.076 1.00 0.00 C ATOM 598 NE ARG A 40 -14.792 16.182 -3.196 1.00 0.00 N ATOM 599 CZ ARG A 40 -16.066 16.532 -3.340 1.00 0.00 C ATOM 600 NH1 ARG A 40 -16.791 16.016 -4.324 1.00 0.00 N ATOM 601 NH2 ARG A 40 -16.616 17.398 -2.500 1.00 0.00 N ATOM 0 H ARG A 40 -10.604 12.449 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.352 15.262 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.761 13.426 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.804 14.933 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.216 16.188 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.109 14.690 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.272 15.526 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.542 14.245 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.262 16.596 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.371 15.349 -4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.769 16.286 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.061 17.796 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.594 17.666 -2.611 1.00 0.00 H new ATOM 615 N GLN A 41 -9.427 13.991 -0.251 1.00 0.00 N ATOM 616 CA GLN A 41 -9.109 13.560 1.106 1.00 0.00 C ATOM 617 C GLN A 41 -10.236 13.918 2.069 1.00 0.00 C ATOM 618 O GLN A 41 -10.468 15.085 2.385 1.00 0.00 O ATOM 619 CB GLN A 41 -7.801 14.201 1.573 1.00 0.00 C ATOM 620 CG GLN A 41 -7.444 13.875 3.015 1.00 0.00 C ATOM 621 CD GLN A 41 -6.195 14.593 3.484 1.00 0.00 C ATOM 622 OE1 GLN A 41 -6.255 15.735 3.940 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.052 13.926 3.374 1.00 0.00 N ATOM 0 H GLN A 41 -8.659 14.452 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.993 12.476 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.991 13.869 0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.876 15.283 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.278 14.146 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.299 12.799 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.048 12.981 2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.178 14.359 3.673 1.00 0.00 H new ATOM 632 N PRO A 42 -10.954 12.891 2.547 1.00 0.00 N ATOM 633 CA PRO A 42 -12.070 13.072 3.481 1.00 0.00 C ATOM 634 C PRO A 42 -11.602 13.516 4.863 1.00 0.00 C ATOM 635 O PRO A 42 -10.779 12.851 5.492 1.00 0.00 O ATOM 636 CB PRO A 42 -12.702 11.680 3.552 1.00 0.00 C ATOM 637 CG PRO A 42 -11.598 10.743 3.202 1.00 0.00 C ATOM 638 CD PRO A 42 -10.733 11.474 2.213 1.00 0.00 C ATOM 0 HA PRO A 42 -12.757 13.851 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.095 11.474 4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.535 11.588 2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.028 10.464 4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.990 9.821 2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.684 11.196 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.023 11.253 1.186 1.00 0.00 H new ATOM 646 N GLN A 43 -12.132 14.642 5.329 1.00 0.00 N ATOM 647 CA GLN A 43 -11.768 15.173 6.637 1.00 0.00 C ATOM 648 C GLN A 43 -12.399 14.350 7.754 1.00 0.00 C ATOM 649 O GLN A 43 -11.725 13.957 8.707 1.00 0.00 O ATOM 650 CB GLN A 43 -12.203 16.635 6.756 1.00 0.00 C ATOM 651 CG GLN A 43 -11.443 17.573 5.832 1.00 0.00 C ATOM 652 CD GLN A 43 -11.934 19.005 5.922 1.00 0.00 C ATOM 653 OE1 GLN A 43 -11.283 19.860 6.523 1.00 0.00 O ATOM 654 NE2 GLN A 43 -13.088 19.273 5.323 1.00 0.00 N ATOM 0 H GLN A 43 -12.815 15.204 4.820 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.684 15.114 6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.268 16.707 6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.066 16.963 7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.382 17.540 6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.541 17.223 4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.594 18.533 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.469 20.219 5.350 1.00 0.00 H new ATOM 663 N PHE A 44 -13.697 14.092 7.632 1.00 0.00 N ATOM 664 CA PHE A 44 -14.421 13.316 8.632 1.00 0.00 C ATOM 665 C PHE A 44 -13.723 11.985 8.896 1.00 0.00 C ATOM 666 O PHE A 44 -13.599 11.554 10.043 1.00 0.00 O ATOM 667 CB PHE A 44 -15.860 13.069 8.175 1.00 0.00 C ATOM 668 CG PHE A 44 -15.977 12.024 7.102 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.510 12.271 5.821 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.552 10.794 7.376 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.618 11.312 4.833 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.662 9.830 6.391 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.193 10.089 5.118 1.00 0.00 C ATOM 0 H PHE A 44 -14.269 14.409 6.850 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.436 13.889 9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.458 12.765 9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.282 14.005 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.056 13.224 5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.919 10.586 8.370 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.253 11.518 3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.114 8.876 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.276 9.337 4.347 1.00 0.00 H new ATOM 683 N ILE A 45 -13.271 11.338 7.827 1.00 0.00 N ATOM 684 CA ILE A 45 -12.586 10.057 7.943 1.00 0.00 C ATOM 685 C ILE A 45 -11.798 9.970 9.245 1.00 0.00 C ATOM 686 O ILE A 45 -11.253 10.967 9.719 1.00 0.00 O ATOM 687 CB ILE A 45 -11.629 9.821 6.760 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.291 8.334 6.637 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.362 10.646 6.931 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.549 7.986 5.366 1.00 0.00 C ATOM 0 H ILE A 45 -13.367 11.680 6.871 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.357 9.286 7.936 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.125 10.138 5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.687 8.035 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.214 7.755 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.696 10.468 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.620 11.704 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.862 10.357 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.343 6.916 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.159 8.254 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.609 8.537 5.331 1.00 0.00 H new ATOM 702 N GLN A 46 -11.741 8.772 9.817 1.00 0.00 N ATOM 703 CA GLN A 46 -11.017 8.556 11.065 1.00 0.00 C ATOM 704 C GLN A 46 -9.659 7.914 10.802 1.00 0.00 C ATOM 705 O GLN A 46 -8.695 8.159 11.526 1.00 0.00 O ATOM 706 CB GLN A 46 -11.838 7.674 12.008 1.00 0.00 C ATOM 707 CG GLN A 46 -12.853 8.447 12.834 1.00 0.00 C ATOM 708 CD GLN A 46 -12.234 9.107 14.051 1.00 0.00 C ATOM 709 OE1 GLN A 46 -11.806 8.431 14.987 1.00 0.00 O ATOM 710 NE2 GLN A 46 -12.185 10.434 14.045 1.00 0.00 N ATOM 0 H GLN A 46 -12.187 7.937 9.437 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.854 9.526 11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.360 6.917 11.422 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.161 7.146 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.319 9.209 12.210 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.645 7.771 13.156 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.552 10.954 13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.781 10.933 14.837 1.00 0.00 H new ATOM 719 N GLY A 47 -9.591 7.089 9.761 1.00 0.00 N ATOM 720 CA GLY A 47 -8.346 6.424 9.422 1.00 0.00 C ATOM 721 C GLY A 47 -8.462 5.583 8.166 1.00 0.00 C ATOM 722 O GLY A 47 -9.347 5.807 7.340 1.00 0.00 O ATOM 0 H GLY A 47 -10.375 6.870 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.564 7.171 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.038 5.790 10.253 1.00 0.00 H new ATOM 726 N TYR A 48 -7.566 4.613 8.022 1.00 0.00 N ATOM 727 CA TYR A 48 -7.569 3.738 6.855 1.00 0.00 C ATOM 728 C TYR A 48 -7.306 2.291 7.260 1.00 0.00 C ATOM 729 O TYR A 48 -6.210 1.948 7.704 1.00 0.00 O ATOM 730 CB TYR A 48 -6.516 4.196 5.845 1.00 0.00 C ATOM 731 CG TYR A 48 -6.946 5.389 5.021 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.809 5.237 3.942 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.490 6.666 5.320 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.204 6.323 3.186 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.881 7.758 4.570 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.738 7.582 3.504 1.00 0.00 C ATOM 737 OH TYR A 48 -8.129 8.667 2.753 1.00 0.00 O ATOM 0 H TYR A 48 -6.829 4.413 8.698 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.554 3.794 6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.598 4.445 6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.282 3.368 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.177 4.253 3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.818 6.808 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.874 6.187 2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.517 8.744 4.817 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.712 9.479 3.110 1.00 0.00 H new ATOM 747 N ARG A 49 -8.319 1.445 7.102 1.00 0.00 N ATOM 748 CA ARG A 49 -8.199 0.035 7.451 1.00 0.00 C ATOM 749 C ARG A 49 -7.562 -0.755 6.311 1.00 0.00 C ATOM 750 O ARG A 49 -8.258 -1.297 5.453 1.00 0.00 O ATOM 751 CB ARG A 49 -9.573 -0.549 7.784 1.00 0.00 C ATOM 752 CG ARG A 49 -9.509 -1.882 8.511 1.00 0.00 C ATOM 753 CD ARG A 49 -10.898 -2.439 8.777 1.00 0.00 C ATOM 754 NE ARG A 49 -11.538 -1.794 9.920 1.00 0.00 N ATOM 755 CZ ARG A 49 -12.677 -2.215 10.459 1.00 0.00 C ATOM 756 NH1 ARG A 49 -13.298 -3.275 9.961 1.00 0.00 N ATOM 757 NH2 ARG A 49 -13.197 -1.575 11.499 1.00 0.00 N ATOM 0 H ARG A 49 -9.232 1.712 6.734 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.556 -0.043 8.328 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.122 0.164 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.138 -0.675 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.938 -2.595 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.979 -1.758 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.518 -2.304 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.830 -3.512 8.958 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.086 -0.975 10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.901 -3.770 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.172 -3.596 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.722 -0.759 11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.072 -1.899 11.912 1.00 0.00 H new ATOM 771 N VAL A 50 -6.234 -0.814 6.309 1.00 0.00 N ATOM 772 CA VAL A 50 -5.502 -1.537 5.276 1.00 0.00 C ATOM 773 C VAL A 50 -5.638 -3.045 5.460 1.00 0.00 C ATOM 774 O VAL A 50 -4.861 -3.663 6.187 1.00 0.00 O ATOM 775 CB VAL A 50 -4.008 -1.163 5.280 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.237 -2.033 4.299 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.829 0.312 4.952 1.00 0.00 C ATOM 0 H VAL A 50 -5.643 -0.370 7.012 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.938 -1.249 4.319 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.608 -1.342 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.183 -1.754 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.340 -3.080 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.635 -1.889 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.768 0.560 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.243 0.518 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.348 0.916 5.697 1.00 0.00 H new ATOM 787 N MET A 51 -6.628 -3.630 4.795 1.00 0.00 N ATOM 788 CA MET A 51 -6.864 -5.066 4.884 1.00 0.00 C ATOM 789 C MET A 51 -5.905 -5.832 3.978 1.00 0.00 C ATOM 790 O MET A 51 -5.234 -5.243 3.131 1.00 0.00 O ATOM 791 CB MET A 51 -8.311 -5.391 4.506 1.00 0.00 C ATOM 792 CG MET A 51 -9.331 -4.881 5.510 1.00 0.00 C ATOM 793 SD MET A 51 -11.029 -5.237 5.018 1.00 0.00 S ATOM 794 CE MET A 51 -11.175 -6.950 5.520 1.00 0.00 C ATOM 0 H MET A 51 -7.280 -3.132 4.189 1.00 0.00 H new ATOM 0 HA MET A 51 -6.687 -5.375 5.914 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.528 -4.959 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.418 -6.471 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.136 -5.334 6.482 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.210 -3.804 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.209 -7.163 5.789 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.874 -7.597 4.697 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.531 -7.133 6.380 1.00 0.00 H new ATOM 804 N TYR A 52 -5.846 -7.146 4.163 1.00 0.00 N ATOM 805 CA TYR A 52 -4.967 -7.991 3.364 1.00 0.00 C ATOM 806 C TYR A 52 -5.179 -9.465 3.695 1.00 0.00 C ATOM 807 O TYR A 52 -5.464 -9.821 4.839 1.00 0.00 O ATOM 808 CB TYR A 52 -3.504 -7.610 3.601 1.00 0.00 C ATOM 809 CG TYR A 52 -3.042 -7.837 5.023 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.476 -7.015 6.056 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.172 -8.875 5.333 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.056 -7.219 7.356 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.747 -9.087 6.631 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.192 -8.257 7.638 1.00 0.00 C ATOM 815 OH TYR A 52 -1.772 -8.464 8.932 1.00 0.00 O ATOM 0 H TYR A 52 -6.396 -7.649 4.859 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.211 -7.834 2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.873 -8.188 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.365 -6.559 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.153 -6.203 5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.822 -9.527 4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.402 -6.570 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.070 -9.898 6.855 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.984 -9.382 9.202 1.00 0.00 H new ATOM 825 N ARG A 53 -5.040 -10.317 2.685 1.00 0.00 N ATOM 826 CA ARG A 53 -5.217 -11.753 2.867 1.00 0.00 C ATOM 827 C ARG A 53 -4.605 -12.528 1.704 1.00 0.00 C ATOM 828 O ARG A 53 -4.325 -11.962 0.648 1.00 0.00 O ATOM 829 CB ARG A 53 -6.703 -12.093 2.995 1.00 0.00 C ATOM 830 CG ARG A 53 -7.441 -12.108 1.666 1.00 0.00 C ATOM 831 CD ARG A 53 -8.761 -12.855 1.770 1.00 0.00 C ATOM 832 NE ARG A 53 -9.446 -12.938 0.483 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.651 -13.474 0.324 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.300 -13.973 1.367 1.00 0.00 N ATOM 835 NH2 ARG A 53 -11.209 -13.512 -0.879 1.00 0.00 N ATOM 0 H ARG A 53 -4.805 -10.038 1.732 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.705 -12.044 3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.804 -13.070 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.177 -11.368 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.626 -11.085 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.815 -12.577 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.579 -13.861 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.405 -12.353 2.492 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.973 -12.564 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.874 -13.946 2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.225 -14.384 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.713 -13.129 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.134 -13.924 -0.999 1.00 0.00 H new ATOM 849 N GLN A 54 -4.400 -13.826 1.906 1.00 0.00 N ATOM 850 CA GLN A 54 -3.821 -14.677 0.875 1.00 0.00 C ATOM 851 C GLN A 54 -4.873 -15.082 -0.152 1.00 0.00 C ATOM 852 O GLN A 54 -6.051 -15.231 0.175 1.00 0.00 O ATOM 853 CB GLN A 54 -3.199 -15.925 1.504 1.00 0.00 C ATOM 854 CG GLN A 54 -2.166 -16.603 0.618 1.00 0.00 C ATOM 855 CD GLN A 54 -1.428 -17.719 1.330 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.279 -17.556 1.741 1.00 0.00 O ATOM 857 NE2 GLN A 54 -2.087 -18.862 1.481 1.00 0.00 N ATOM 0 H GLN A 54 -4.627 -14.310 2.775 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.043 -14.108 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.731 -15.650 2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.990 -16.638 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.660 -17.006 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.447 -15.861 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.038 -18.953 1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.642 -19.649 1.953 1.00 0.00 H new ATOM 866 N THR A 55 -4.441 -15.259 -1.397 1.00 0.00 N ATOM 867 CA THR A 55 -5.346 -15.644 -2.473 1.00 0.00 C ATOM 868 C THR A 55 -5.180 -17.117 -2.829 1.00 0.00 C ATOM 869 O THR A 55 -6.154 -17.805 -3.135 1.00 0.00 O ATOM 870 CB THR A 55 -5.114 -14.793 -3.735 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.829 -15.086 -4.294 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.205 -13.309 -3.411 1.00 0.00 C ATOM 0 H THR A 55 -3.470 -15.142 -1.685 1.00 0.00 H new ATOM 0 HA THR A 55 -6.359 -15.472 -2.110 1.00 0.00 H new ATOM 0 HB THR A 55 -5.890 -15.039 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.130 -14.843 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.038 -12.728 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.194 -13.084 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.448 -13.051 -2.670 1.00 0.00 H new ATOM 880 N SER A 56 -3.940 -17.595 -2.787 1.00 0.00 N ATOM 881 CA SER A 56 -3.647 -18.987 -3.109 1.00 0.00 C ATOM 882 C SER A 56 -2.856 -19.649 -1.985 1.00 0.00 C ATOM 883 O SER A 56 -2.215 -18.974 -1.180 1.00 0.00 O ATOM 884 CB SER A 56 -2.862 -19.074 -4.420 1.00 0.00 C ATOM 885 OG SER A 56 -3.047 -20.334 -5.041 1.00 0.00 O ATOM 0 H SER A 56 -3.123 -17.039 -2.533 1.00 0.00 H new ATOM 0 HA SER A 56 -4.593 -19.515 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.185 -18.281 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.802 -18.913 -4.224 1.00 0.00 H new ATOM 0 HG SER A 56 -2.537 -20.365 -5.877 1.00 0.00 H new ATOM 891 N GLY A 57 -2.906 -20.977 -1.937 1.00 0.00 N ATOM 892 CA GLY A 57 -2.191 -21.710 -0.909 1.00 0.00 C ATOM 893 C GLY A 57 -3.121 -22.327 0.117 1.00 0.00 C ATOM 894 O GLY A 57 -4.143 -22.915 -0.236 1.00 0.00 O ATOM 0 H GLY A 57 -3.429 -21.558 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.596 -22.496 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.495 -21.039 -0.406 1.00 0.00 H new ATOM 898 N LEU A 58 -2.766 -22.194 1.390 1.00 0.00 N ATOM 899 CA LEU A 58 -3.576 -22.745 2.471 1.00 0.00 C ATOM 900 C LEU A 58 -4.384 -21.649 3.159 1.00 0.00 C ATOM 901 O LEU A 58 -5.578 -21.810 3.409 1.00 0.00 O ATOM 902 CB LEU A 58 -2.685 -23.454 3.492 1.00 0.00 C ATOM 903 CG LEU A 58 -3.381 -24.471 4.398 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.547 -23.824 5.129 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.855 -25.670 3.590 1.00 0.00 C ATOM 0 H LEU A 58 -1.923 -21.710 1.699 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.270 -23.467 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.885 -23.963 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.215 -22.698 4.121 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.662 -24.820 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.030 -24.562 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.181 -22.999 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.267 -23.446 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.348 -26.383 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.558 -25.339 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.000 -26.149 3.113 1.00 0.00 H new ATOM 917 N GLN A 59 -3.725 -20.535 3.460 1.00 0.00 N ATOM 918 CA GLN A 59 -4.383 -19.412 4.117 1.00 0.00 C ATOM 919 C GLN A 59 -5.101 -18.531 3.100 1.00 0.00 C ATOM 920 O GLN A 59 -5.396 -17.367 3.372 1.00 0.00 O ATOM 921 CB GLN A 59 -3.362 -18.582 4.898 1.00 0.00 C ATOM 922 CG GLN A 59 -2.799 -19.299 6.115 1.00 0.00 C ATOM 923 CD GLN A 59 -3.755 -19.292 7.291 1.00 0.00 C ATOM 924 OE1 GLN A 59 -3.741 -18.374 8.112 1.00 0.00 O ATOM 925 NE2 GLN A 59 -4.592 -20.318 7.380 1.00 0.00 N ATOM 0 H GLN A 59 -2.736 -20.386 3.259 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.123 -19.812 4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.541 -18.312 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.831 -17.652 5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.565 -20.330 5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.863 -18.825 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.569 -21.057 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.258 -20.367 8.151 1.00 0.00 H new ATOM 934 N ALA A 60 -5.378 -19.093 1.928 1.00 0.00 N ATOM 935 CA ALA A 60 -6.063 -18.359 0.872 1.00 0.00 C ATOM 936 C ALA A 60 -7.532 -18.143 1.217 1.00 0.00 C ATOM 937 O ALA A 60 -8.184 -19.020 1.784 1.00 0.00 O ATOM 938 CB ALA A 60 -5.933 -19.096 -0.453 1.00 0.00 C ATOM 0 H ALA A 60 -5.138 -20.055 1.686 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.591 -17.381 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.449 -18.536 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.879 -19.193 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.377 -20.087 -0.363 1.00 0.00 H new ATOM 944 N THR A 61 -8.050 -16.967 0.872 1.00 0.00 N ATOM 945 CA THR A 61 -9.442 -16.635 1.148 1.00 0.00 C ATOM 946 C THR A 61 -9.951 -17.376 2.379 1.00 0.00 C ATOM 947 O THR A 61 -11.080 -17.867 2.397 1.00 0.00 O ATOM 948 CB THR A 61 -10.348 -16.972 -0.052 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.562 -16.217 0.024 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.670 -18.459 -0.085 1.00 0.00 C ATOM 0 H THR A 61 -7.526 -16.229 0.401 1.00 0.00 H new ATOM 0 HA THR A 61 -9.480 -15.561 1.333 1.00 0.00 H new ATOM 0 HB THR A 61 -9.816 -16.711 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.010 -16.403 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.311 -18.674 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.745 -19.030 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.185 -18.740 0.834 1.00 0.00 H new ATOM 958 N SER A 62 -9.112 -17.453 3.407 1.00 0.00 N ATOM 959 CA SER A 62 -9.476 -18.137 4.642 1.00 0.00 C ATOM 960 C SER A 62 -9.954 -17.141 5.694 1.00 0.00 C ATOM 961 O SER A 62 -10.968 -17.359 6.356 1.00 0.00 O ATOM 962 CB SER A 62 -8.285 -18.932 5.180 1.00 0.00 C ATOM 963 OG SER A 62 -8.668 -19.744 6.276 1.00 0.00 O ATOM 0 H SER A 62 -8.175 -17.050 3.409 1.00 0.00 H new ATOM 0 HA SER A 62 -10.292 -18.825 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.872 -19.556 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.496 -18.247 5.489 1.00 0.00 H new ATOM 0 HG SER A 62 -7.890 -20.243 6.601 1.00 0.00 H new ATOM 969 N SER A 63 -9.215 -16.046 5.842 1.00 0.00 N ATOM 970 CA SER A 63 -9.560 -15.017 6.816 1.00 0.00 C ATOM 971 C SER A 63 -8.902 -13.688 6.458 1.00 0.00 C ATOM 972 O SER A 63 -7.681 -13.601 6.331 1.00 0.00 O ATOM 973 CB SER A 63 -9.131 -15.449 8.220 1.00 0.00 C ATOM 974 OG SER A 63 -10.060 -16.361 8.778 1.00 0.00 O ATOM 0 H SER A 63 -8.374 -15.849 5.300 1.00 0.00 H new ATOM 0 HA SER A 63 -10.642 -14.884 6.799 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.145 -15.911 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.045 -14.573 8.863 1.00 0.00 H new ATOM 0 HG SER A 63 -10.617 -16.738 8.065 1.00 0.00 H new ATOM 980 N TRP A 64 -9.721 -12.654 6.297 1.00 0.00 N ATOM 981 CA TRP A 64 -9.219 -11.329 5.953 1.00 0.00 C ATOM 982 C TRP A 64 -8.554 -10.669 7.156 1.00 0.00 C ATOM 983 O TRP A 64 -8.871 -10.987 8.302 1.00 0.00 O ATOM 984 CB TRP A 64 -10.359 -10.448 5.438 1.00 0.00 C ATOM 985 CG TRP A 64 -10.530 -10.508 3.950 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.412 -11.288 3.258 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.800 -9.759 2.972 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.273 -11.069 1.908 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.292 -10.135 1.707 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.780 -8.806 3.042 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.797 -9.592 0.525 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.290 -8.268 1.868 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.798 -8.661 0.623 1.00 0.00 C ATOM 0 H TRP A 64 -10.734 -12.708 6.399 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.473 -11.443 5.167 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.290 -10.754 5.916 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.173 -9.416 5.734 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.115 -11.975 3.705 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.813 -11.528 1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.382 -8.496 3.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.187 -9.894 -0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.501 -7.531 1.911 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.394 -8.221 -0.277 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.632 -9.750 6.887 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.923 -9.047 7.950 1.00 0.00 C ATOM 1006 C GLN A 65 -7.226 -7.553 7.910 1.00 0.00 C ATOM 1007 O GLN A 65 -7.849 -7.061 6.970 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.416 -9.278 7.826 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.025 -10.747 7.802 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.524 -10.952 7.822 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.864 -10.701 8.831 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -2.974 -11.410 6.703 1.00 0.00 N ATOM 0 H GLN A 65 -7.359 -9.475 5.943 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.266 -9.443 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.058 -8.800 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.912 -8.790 8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.468 -11.251 8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.440 -11.215 6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.558 -11.605 5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.967 -11.567 6.657 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.780 -6.836 8.937 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.004 -5.398 9.019 1.00 0.00 C ATOM 1023 C ASN A 66 -5.849 -4.708 9.738 1.00 0.00 C ATOM 1024 O ASN A 66 -5.475 -5.092 10.847 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.319 -5.106 9.746 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.608 -6.112 10.844 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.782 -6.729 10.785 1.00 0.00 O flip ATOM 1028 ND2 ASN A 66 -7.785 -6.330 11.733 1.00 0.00 N flip ATOM 0 H ASN A 66 -6.262 -7.228 9.723 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.063 -5.006 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.279 -4.105 10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.138 -5.112 9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.895 -5.832 11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.993 -7.009 12.465 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.288 -3.687 9.100 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.175 -2.941 9.679 1.00 0.00 C ATOM 1037 C LEU A 67 -4.524 -1.463 9.818 1.00 0.00 C ATOM 1038 O LEU A 67 -4.324 -0.677 8.892 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.924 -3.102 8.814 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.653 -2.435 9.342 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.967 -3.327 10.365 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.706 -2.109 8.196 1.00 0.00 C ATOM 0 H LEU A 67 -5.585 -3.356 8.182 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.977 -3.343 10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.727 -4.167 8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.137 -2.700 7.824 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.932 -1.503 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.065 -2.836 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.643 -3.510 11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.701 -4.276 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.193 -1.635 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.434 -3.028 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.198 -1.430 7.499 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.045 -1.091 10.983 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.418 0.294 11.245 1.00 0.00 C ATOM 1056 C ASP A 68 -4.185 1.190 11.296 1.00 0.00 C ATOM 1057 O ASP A 68 -3.283 0.976 12.105 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.191 0.395 12.561 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.414 -0.170 13.734 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -5.259 -1.407 13.801 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -4.962 0.624 14.585 1.00 0.00 O ATOM 0 H ASP A 68 -5.218 -1.729 11.760 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.057 0.633 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.432 1.440 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.137 -0.138 12.465 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.151 2.192 10.424 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.029 3.121 10.370 1.00 0.00 C ATOM 1068 C ALA A 69 -3.087 4.120 11.520 1.00 0.00 C ATOM 1069 O ALA A 69 -2.068 4.684 11.920 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.011 3.850 9.035 1.00 0.00 C ATOM 0 H ALA A 69 -4.888 2.381 9.745 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.108 2.546 10.470 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.168 4.540 9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.912 3.126 8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.940 4.407 8.912 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.287 4.337 12.049 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.479 5.269 13.154 1.00 0.00 C ATOM 1078 C LYS A 70 -3.997 6.666 12.778 1.00 0.00 C ATOM 1079 O LYS A 70 -3.505 7.412 13.624 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.734 4.778 14.397 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.197 3.417 14.887 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.164 2.768 15.792 1.00 0.00 C ATOM 1083 CE LYS A 70 -2.016 2.173 14.990 1.00 0.00 C ATOM 1084 NZ LYS A 70 -1.284 1.130 15.760 1.00 0.00 N ATOM 0 H LYS A 70 -5.141 3.880 11.730 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.546 5.319 13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.668 4.732 14.176 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.862 5.506 15.198 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.138 3.525 15.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.392 2.769 14.033 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.775 3.508 16.492 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.638 1.986 16.385 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.403 1.739 14.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.324 2.965 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.510 0.749 15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.892 1.550 16.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.938 0.362 16.012 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.144 7.015 11.504 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.726 8.324 11.016 1.00 0.00 C ATOM 1100 C VAL A 71 -4.245 8.576 9.605 1.00 0.00 C ATOM 1101 O VAL A 71 -3.779 7.984 8.631 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.192 8.461 11.020 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.547 7.259 10.347 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.771 9.753 10.337 1.00 0.00 C ATOM 0 H VAL A 71 -4.550 6.409 10.791 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.151 9.065 11.693 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.850 8.495 12.055 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.463 7.373 10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.822 6.351 10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.893 7.190 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.684 9.833 10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.123 9.751 9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.203 10.602 10.866 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.232 9.476 9.489 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.836 9.829 8.201 1.00 0.00 C ATOM 1116 C PRO A 72 -4.881 10.617 7.310 1.00 0.00 C ATOM 1117 O PRO A 72 -5.064 10.685 6.094 1.00 0.00 O ATOM 1118 CB PRO A 72 -7.035 10.694 8.595 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.670 11.266 9.921 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.836 10.220 10.608 1.00 0.00 C ATOM 0 HA PRO A 72 -6.103 8.946 7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.215 11.479 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.948 10.101 8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.112 12.195 9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.561 11.499 10.504 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.077 10.668 11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.444 9.572 11.240 1.00 0.00 H new ATOM 1128 N THR A 73 -3.861 11.210 7.922 1.00 0.00 N ATOM 1129 CA THR A 73 -2.878 11.994 7.185 1.00 0.00 C ATOM 1130 C THR A 73 -1.767 11.106 6.636 1.00 0.00 C ATOM 1131 O THR A 73 -0.679 11.584 6.317 1.00 0.00 O ATOM 1132 CB THR A 73 -2.254 13.089 8.070 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.676 12.502 9.241 1.00 0.00 O ATOM 1134 CG2 THR A 73 -3.299 14.117 8.476 1.00 0.00 C ATOM 0 H THR A 73 -3.694 11.162 8.927 1.00 0.00 H new ATOM 0 HA THR A 73 -3.407 12.465 6.356 1.00 0.00 H new ATOM 0 HB THR A 73 -1.477 13.592 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.280 13.205 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.835 14.880 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.717 14.583 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.095 13.625 9.035 1.00 0.00 H new ATOM 1142 N GLU A 74 -2.049 9.811 6.528 1.00 0.00 N ATOM 1143 CA GLU A 74 -1.072 8.857 6.017 1.00 0.00 C ATOM 1144 C GLU A 74 -1.681 7.991 4.918 1.00 0.00 C ATOM 1145 O GLU A 74 -2.721 7.362 5.113 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.551 7.971 7.150 1.00 0.00 C ATOM 1147 CG GLU A 74 0.682 8.529 7.841 1.00 0.00 C ATOM 1148 CD GLU A 74 1.533 7.448 8.480 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.079 6.286 8.526 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.652 7.766 8.933 1.00 0.00 O ATOM 0 H GLU A 74 -2.945 9.399 6.787 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.240 9.419 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.342 7.837 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.318 6.984 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.283 9.078 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.374 9.243 8.605 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.024 7.963 3.763 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.501 7.176 2.632 1.00 0.00 C ATOM 1159 C ARG A 75 -0.535 6.037 2.317 1.00 0.00 C ATOM 1160 O ARG A 75 -0.493 5.539 1.192 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.675 8.067 1.400 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.020 8.771 1.343 1.00 0.00 C ATOM 1163 CD ARG A 75 -2.978 10.112 2.059 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.005 11.022 1.462 1.00 0.00 N ATOM 1165 CZ ARG A 75 -1.602 12.148 2.038 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -2.085 12.502 3.221 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -0.712 12.924 1.431 1.00 0.00 N ATOM 0 H ARG A 75 -0.160 8.476 3.586 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.466 6.747 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.882 8.815 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.554 7.460 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.309 8.922 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.783 8.138 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.967 10.569 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.730 9.955 3.109 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.613 10.779 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.768 11.908 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.773 13.368 3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.337 12.655 0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.403 13.789 1.874 1.00 0.00 H new ATOM 1181 N SER A 76 0.239 5.631 3.318 1.00 0.00 N ATOM 1182 CA SER A 76 1.207 4.554 3.147 1.00 0.00 C ATOM 1183 C SER A 76 1.236 3.649 4.375 1.00 0.00 C ATOM 1184 O SER A 76 1.228 4.125 5.510 1.00 0.00 O ATOM 1185 CB SER A 76 2.601 5.129 2.890 1.00 0.00 C ATOM 1186 OG SER A 76 2.944 6.093 3.871 1.00 0.00 O ATOM 0 H SER A 76 0.215 6.031 4.256 1.00 0.00 H new ATOM 0 HA SER A 76 0.903 3.959 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.336 4.324 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.633 5.585 1.901 1.00 0.00 H new ATOM 0 HG SER A 76 3.840 6.444 3.685 1.00 0.00 H new ATOM 1192 N ALA A 77 1.269 2.342 4.139 1.00 0.00 N ATOM 1193 CA ALA A 77 1.301 1.369 5.224 1.00 0.00 C ATOM 1194 C ALA A 77 2.182 0.177 4.868 1.00 0.00 C ATOM 1195 O ALA A 77 2.504 -0.042 3.700 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.109 0.905 5.558 1.00 0.00 C ATOM 0 H ALA A 77 1.274 1.932 3.205 1.00 0.00 H new ATOM 0 HA ALA A 77 1.730 1.854 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.070 0.179 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.710 1.761 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.558 0.443 4.679 1.00 0.00 H new ATOM 1202 N VAL A 78 2.571 -0.590 5.881 1.00 0.00 N ATOM 1203 CA VAL A 78 3.415 -1.760 5.675 1.00 0.00 C ATOM 1204 C VAL A 78 2.763 -3.016 6.243 1.00 0.00 C ATOM 1205 O VAL A 78 2.279 -3.019 7.375 1.00 0.00 O ATOM 1206 CB VAL A 78 4.800 -1.575 6.324 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.725 -2.721 5.945 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.402 -0.237 5.922 1.00 0.00 C ATOM 0 H VAL A 78 2.315 -0.422 6.854 1.00 0.00 H new ATOM 0 HA VAL A 78 3.539 -1.874 4.598 1.00 0.00 H new ATOM 0 HB VAL A 78 4.678 -1.582 7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.698 -2.573 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.297 -3.663 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.844 -2.750 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.380 -0.123 6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.511 -0.198 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.747 0.570 6.250 1.00 0.00 H new ATOM 1218 N LEU A 79 2.755 -4.081 5.450 1.00 0.00 N ATOM 1219 CA LEU A 79 2.162 -5.345 5.873 1.00 0.00 C ATOM 1220 C LEU A 79 3.243 -6.365 6.219 1.00 0.00 C ATOM 1221 O LEU A 79 3.910 -6.902 5.334 1.00 0.00 O ATOM 1222 CB LEU A 79 1.255 -5.900 4.774 1.00 0.00 C ATOM 1223 CG LEU A 79 0.149 -4.965 4.281 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.474 -5.503 3.003 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.911 -4.780 5.357 1.00 0.00 C ATOM 0 H LEU A 79 3.152 -4.095 4.511 1.00 0.00 H new ATOM 0 HA LEU A 79 1.566 -5.157 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.877 -6.176 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.792 -6.816 5.141 1.00 0.00 H new ATOM 0 HG LEU A 79 0.591 -3.993 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.259 -4.825 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.291 -5.583 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.902 -6.487 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.690 -4.112 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.349 -5.746 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.454 -4.349 6.248 1.00 0.00 H new ATOM 1237 N VAL A 80 3.410 -6.628 7.511 1.00 0.00 N ATOM 1238 CA VAL A 80 4.407 -7.585 7.974 1.00 0.00 C ATOM 1239 C VAL A 80 3.793 -8.966 8.173 1.00 0.00 C ATOM 1240 O VAL A 80 2.592 -9.156 7.982 1.00 0.00 O ATOM 1241 CB VAL A 80 5.054 -7.128 9.295 1.00 0.00 C ATOM 1242 CG1 VAL A 80 5.868 -5.861 9.080 1.00 0.00 C ATOM 1243 CG2 VAL A 80 3.991 -6.915 10.362 1.00 0.00 C ATOM 0 H VAL A 80 2.867 -6.191 8.256 1.00 0.00 H new ATOM 0 HA VAL A 80 5.175 -7.640 7.202 1.00 0.00 H new ATOM 0 HB VAL A 80 5.730 -7.911 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.318 -5.553 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.654 -6.053 8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.217 -5.068 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.465 -6.592 11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.289 -6.151 10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.456 -7.849 10.534 1.00 0.00 H new ATOM 1253 N ASN A 81 4.625 -9.928 8.557 1.00 0.00 N ATOM 1254 CA ASN A 81 4.163 -11.293 8.783 1.00 0.00 C ATOM 1255 C ASN A 81 3.483 -11.850 7.536 1.00 0.00 C ATOM 1256 O ASN A 81 2.346 -12.320 7.592 1.00 0.00 O ATOM 1257 CB ASN A 81 3.196 -11.338 9.967 1.00 0.00 C ATOM 1258 CG ASN A 81 3.741 -10.619 11.186 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.061 -10.492 11.257 1.00 0.00 O flip ATOM 1260 ND2 ASN A 81 2.984 -10.183 12.054 1.00 0.00 N flip ATOM 0 H ASN A 81 5.622 -9.788 8.718 1.00 0.00 H new ATOM 0 HA ASN A 81 5.032 -11.911 9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.248 -10.886 9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.988 -12.377 10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.976 -10.303 11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.365 -9.702 12.868 1.00 0.00 H new ATOM 1267 N LEU A 82 4.188 -11.795 6.410 1.00 0.00 N ATOM 1268 CA LEU A 82 3.653 -12.295 5.148 1.00 0.00 C ATOM 1269 C LEU A 82 4.316 -13.613 4.760 1.00 0.00 C ATOM 1270 O LEU A 82 5.352 -13.986 5.311 1.00 0.00 O ATOM 1271 CB LEU A 82 3.859 -11.261 4.040 1.00 0.00 C ATOM 1272 CG LEU A 82 3.324 -9.857 4.324 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.784 -8.883 3.250 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.806 -9.874 4.416 1.00 0.00 C ATOM 0 H LEU A 82 5.130 -11.410 6.346 1.00 0.00 H new ATOM 0 HA LEU A 82 2.585 -12.472 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.927 -11.186 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.384 -11.632 3.132 1.00 0.00 H new ATOM 0 HG LEU A 82 3.723 -9.524 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.394 -7.889 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.873 -8.849 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.415 -9.212 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.442 -8.867 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.388 -10.228 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.498 -10.540 5.222 1.00 0.00 H new ATOM 1286 N LYS A 83 3.714 -14.313 3.805 1.00 0.00 N ATOM 1287 CA LYS A 83 4.246 -15.588 3.339 1.00 0.00 C ATOM 1288 C LYS A 83 5.212 -15.382 2.176 1.00 0.00 C ATOM 1289 O LYS A 83 5.182 -14.349 1.506 1.00 0.00 O ATOM 1290 CB LYS A 83 3.106 -16.515 2.910 1.00 0.00 C ATOM 1291 CG LYS A 83 2.439 -17.234 4.070 1.00 0.00 C ATOM 1292 CD LYS A 83 3.219 -18.470 4.483 1.00 0.00 C ATOM 1293 CE LYS A 83 2.321 -19.499 5.153 1.00 0.00 C ATOM 1294 NZ LYS A 83 1.892 -19.059 6.510 1.00 0.00 N ATOM 0 H LYS A 83 2.856 -14.019 3.338 1.00 0.00 H new ATOM 0 HA LYS A 83 4.790 -16.049 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.356 -15.932 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.494 -17.255 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.354 -16.556 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.426 -17.520 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.691 -18.913 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.019 -18.185 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.442 -19.673 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.850 -20.449 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.282 -19.787 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.730 -18.917 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.365 -18.166 6.435 1.00 0.00 H new ATOM 1308 N LYS A 84 6.068 -16.371 1.941 1.00 0.00 N ATOM 1309 CA LYS A 84 7.041 -16.300 0.858 1.00 0.00 C ATOM 1310 C LYS A 84 6.648 -17.226 -0.288 1.00 0.00 C ATOM 1311 O LYS A 84 6.415 -18.417 -0.085 1.00 0.00 O ATOM 1312 CB LYS A 84 8.434 -16.670 1.372 1.00 0.00 C ATOM 1313 CG LYS A 84 8.823 -15.948 2.650 1.00 0.00 C ATOM 1314 CD LYS A 84 8.393 -16.726 3.883 1.00 0.00 C ATOM 1315 CE LYS A 84 9.261 -16.388 5.085 1.00 0.00 C ATOM 1316 NZ LYS A 84 10.462 -17.265 5.166 1.00 0.00 N ATOM 0 H LYS A 84 6.107 -17.232 2.487 1.00 0.00 H new ATOM 0 HA LYS A 84 7.058 -15.276 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.474 -17.745 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.169 -16.444 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.903 -15.799 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.365 -14.959 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.351 -16.502 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.452 -17.795 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.576 -15.346 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.674 -16.491 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.028 -17.003 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.162 -18.257 5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.036 -17.148 4.307 1.00 0.00 H new ATOM 1330 N GLY A 85 6.577 -16.671 -1.495 1.00 0.00 N ATOM 1331 CA GLY A 85 6.213 -17.463 -2.655 1.00 0.00 C ATOM 1332 C GLY A 85 4.714 -17.641 -2.789 1.00 0.00 C ATOM 1333 O GLY A 85 4.219 -18.766 -2.866 1.00 0.00 O ATOM 0 H GLY A 85 6.765 -15.688 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.601 -16.984 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.687 -18.442 -2.586 1.00 0.00 H new ATOM 1337 N VAL A 86 3.988 -16.528 -2.814 1.00 0.00 N ATOM 1338 CA VAL A 86 2.535 -16.566 -2.938 1.00 0.00 C ATOM 1339 C VAL A 86 1.974 -15.182 -3.243 1.00 0.00 C ATOM 1340 O VAL A 86 2.591 -14.165 -2.926 1.00 0.00 O ATOM 1341 CB VAL A 86 1.876 -17.104 -1.655 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.043 -16.114 -0.513 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.405 -17.406 -1.898 1.00 0.00 C ATOM 0 H VAL A 86 4.382 -15.589 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 86 2.305 -17.239 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 86 2.373 -18.033 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.571 -16.512 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.104 -15.952 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.574 -15.167 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.045 -17.785 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.108 -16.494 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.312 -18.155 -2.684 1.00 0.00 H new ATOM 1353 N THR A 87 0.797 -15.149 -3.861 1.00 0.00 N ATOM 1354 CA THR A 87 0.151 -13.890 -4.209 1.00 0.00 C ATOM 1355 C THR A 87 -0.706 -13.375 -3.059 1.00 0.00 C ATOM 1356 O THR A 87 -1.371 -14.150 -2.371 1.00 0.00 O ATOM 1357 CB THR A 87 -0.730 -14.039 -5.464 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.187 -15.044 -6.327 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.831 -12.720 -6.214 1.00 0.00 C ATOM 0 H THR A 87 0.272 -15.981 -4.131 1.00 0.00 H new ATOM 0 HA THR A 87 0.946 -13.173 -4.415 1.00 0.00 H new ATOM 0 HB THR A 87 -1.730 -14.335 -5.146 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.754 -15.134 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.458 -12.850 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.272 -11.965 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.164 -12.399 -6.521 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.687 -12.062 -2.855 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.462 -11.443 -1.786 1.00 0.00 C ATOM 1369 C TYR A 88 -2.300 -10.286 -2.321 1.00 0.00 C ATOM 1370 O TYR A 88 -1.776 -9.363 -2.944 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.533 -10.946 -0.677 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.242 -11.987 0.381 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.117 -12.190 1.441 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.907 -12.765 0.321 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.855 -13.139 2.411 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.176 -13.717 1.285 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.292 -13.900 2.328 1.00 0.00 C ATOM 1378 OH TYR A 88 0.557 -14.847 3.291 1.00 0.00 O ATOM 0 H TYR A 88 -0.143 -11.406 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.135 -12.196 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.407 -10.619 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.982 -10.073 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.017 -11.596 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.602 -12.623 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.545 -13.284 3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.073 -14.315 1.222 1.00 0.00 H new ATOM 0 HH TYR A 88 0.296 -15.732 2.960 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.604 -10.343 -2.071 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.515 -9.300 -2.526 1.00 0.00 C ATOM 1390 C GLU A 89 -4.786 -8.290 -1.415 1.00 0.00 C ATOM 1391 O GLU A 89 -5.341 -8.635 -0.371 1.00 0.00 O ATOM 1392 CB GLU A 89 -5.832 -9.915 -3.004 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.753 -8.922 -3.694 1.00 0.00 C ATOM 1394 CD GLU A 89 -7.963 -9.587 -4.321 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.667 -10.332 -3.606 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -8.206 -9.364 -5.525 1.00 0.00 O ATOM 0 H GLU A 89 -4.053 -11.100 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.042 -8.779 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.613 -10.733 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.353 -10.347 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.086 -8.178 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.195 -8.390 -4.465 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.389 -7.043 -1.647 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.589 -5.984 -0.666 1.00 0.00 C ATOM 1405 C ILE A 90 -5.300 -4.786 -1.287 1.00 0.00 C ATOM 1406 O ILE A 90 -5.072 -4.449 -2.449 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.252 -5.516 -0.062 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.404 -6.721 0.350 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.500 -4.604 1.131 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.501 -7.229 -0.752 1.00 0.00 C ATOM 0 H ILE A 90 -3.927 -6.742 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.210 -6.402 0.126 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.706 -4.952 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.794 -6.449 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.064 -7.528 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.546 -4.282 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.069 -3.732 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.063 -5.145 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.930 -8.084 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.105 -7.533 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.816 -6.437 -1.055 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.161 -4.145 -0.505 1.00 0.00 N ATOM 1423 CA LYS A 91 -6.904 -2.982 -0.976 1.00 0.00 C ATOM 1424 C LYS A 91 -6.979 -1.910 0.106 1.00 0.00 C ATOM 1425 O LYS A 91 -6.390 -2.052 1.177 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.316 -3.391 -1.402 1.00 0.00 C ATOM 1427 CG LYS A 91 -8.875 -4.561 -0.610 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.435 -4.111 0.729 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.204 -5.229 1.415 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.608 -5.318 0.926 1.00 0.00 N ATOM 0 H LYS A 91 -6.362 -4.411 0.459 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.377 -2.569 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.982 -2.536 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.306 -3.651 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.659 -5.051 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.090 -5.300 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.620 -3.780 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.092 -3.254 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.698 -6.178 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.205 -5.062 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.946 -6.297 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.213 -4.688 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.647 -5.031 -0.073 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.709 -0.836 -0.181 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.863 0.259 0.769 1.00 0.00 C ATOM 1446 C VAL A 92 -9.289 0.800 0.758 1.00 0.00 C ATOM 1447 O VAL A 92 -9.899 0.946 -0.301 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.887 1.410 0.462 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.937 2.461 1.560 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.473 0.877 0.288 1.00 0.00 C ATOM 0 H VAL A 92 -8.203 -0.701 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.638 -0.145 1.756 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.192 1.881 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.241 3.266 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.947 2.864 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.659 2.007 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.797 1.704 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.156 0.379 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.451 0.165 -0.537 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.813 1.096 1.943 1.00 0.00 N ATOM 1461 CA ARG A 93 -11.167 1.620 2.069 1.00 0.00 C ATOM 1462 C ARG A 93 -11.258 2.619 3.219 1.00 0.00 C ATOM 1463 O ARG A 93 -10.963 2.304 4.372 1.00 0.00 O ATOM 1464 CB ARG A 93 -12.160 0.478 2.292 1.00 0.00 C ATOM 1465 CG ARG A 93 -12.024 -0.652 1.285 1.00 0.00 C ATOM 1466 CD ARG A 93 -13.334 -1.406 1.114 1.00 0.00 C ATOM 1467 NE ARG A 93 -13.169 -2.613 0.308 1.00 0.00 N ATOM 1468 CZ ARG A 93 -14.144 -3.488 0.088 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -15.346 -3.292 0.610 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -13.916 -4.563 -0.656 1.00 0.00 N ATOM 0 H ARG A 93 -9.320 0.982 2.829 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.418 2.135 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.021 0.077 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.174 0.875 2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.707 -0.248 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.246 -1.342 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.728 -1.675 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.069 -0.753 0.643 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.256 -2.794 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.525 -2.467 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.092 -3.966 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.992 -4.718 -1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.665 -5.235 -0.825 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.675 3.853 2.900 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.815 4.923 3.892 1.00 0.00 C ATOM 1486 C PRO A 94 -12.972 4.675 4.854 1.00 0.00 C ATOM 1487 O PRO A 94 -14.134 4.896 4.512 1.00 0.00 O ATOM 1488 CB PRO A 94 -12.086 6.165 3.039 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.687 5.637 1.782 1.00 0.00 C ATOM 1490 CD PRO A 94 -12.044 4.299 1.545 1.00 0.00 C ATOM 0 HA PRO A 94 -10.932 5.008 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.765 6.852 3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.167 6.715 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.768 5.539 1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.501 6.313 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.731 3.602 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.171 4.382 0.897 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.646 4.216 6.057 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.659 3.936 7.068 1.00 0.00 C ATOM 1500 C TYR A 95 -13.714 5.051 8.108 1.00 0.00 C ATOM 1501 O TYR A 95 -12.681 5.566 8.538 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.371 2.599 7.752 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.409 2.707 8.913 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.839 3.150 10.158 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.070 2.368 8.765 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.964 3.252 11.221 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.188 2.465 9.824 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.639 2.908 11.050 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.763 3.007 12.106 1.00 0.00 O ATOM 0 H TYR A 95 -11.689 4.030 6.356 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.627 3.881 6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.309 2.173 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.964 1.905 7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.876 3.419 10.296 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.712 2.023 7.806 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.315 3.599 12.182 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.151 2.195 9.693 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.870 2.726 11.818 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.926 5.418 8.509 1.00 0.00 N ATOM 1520 CA PHE A 96 -15.117 6.472 9.498 1.00 0.00 C ATOM 1521 C PHE A 96 -15.313 5.881 10.892 1.00 0.00 C ATOM 1522 O PHE A 96 -14.539 6.154 11.808 1.00 0.00 O ATOM 1523 CB PHE A 96 -16.322 7.338 9.126 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.621 8.414 10.131 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.743 9.470 10.315 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.778 8.369 10.890 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -16.014 10.462 11.239 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -18.055 9.359 11.815 1.00 0.00 C ATOM 1529 CZ PHE A 96 -17.172 10.406 11.990 1.00 0.00 C ATOM 0 H PHE A 96 -15.791 5.001 8.164 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.221 7.093 9.508 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.142 7.799 8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.199 6.699 9.018 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.837 9.519 9.730 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.472 7.552 10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.321 11.280 11.373 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.962 9.313 12.400 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.386 11.180 12.713 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.354 5.069 11.042 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.653 4.439 12.324 1.00 0.00 C ATOM 1541 C ASN A 97 -16.691 2.920 12.188 1.00 0.00 C ATOM 1542 O ASN A 97 -15.913 2.211 12.825 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.990 4.947 12.865 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.883 6.339 13.460 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -18.663 7.230 13.126 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -16.911 6.530 14.345 1.00 0.00 N ATOM 0 H ASN A 97 -17.004 4.832 10.293 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.861 4.703 13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.725 4.955 12.060 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.357 4.257 13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.788 7.445 14.778 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.288 5.761 14.592 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.600 2.429 11.352 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.739 0.994 11.132 1.00 0.00 C ATOM 1555 C GLU A 98 -17.814 0.676 9.642 1.00 0.00 C ATOM 1556 O GLU A 98 -17.256 -0.319 9.179 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.988 0.466 11.841 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.266 1.183 11.438 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.473 0.709 12.223 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.445 0.798 13.468 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -22.447 0.248 11.591 1.00 0.00 O ATOM 0 H GLU A 98 -18.251 3.003 10.816 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.859 0.502 11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.095 -0.597 11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.852 0.562 12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.139 2.255 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.445 1.028 10.374 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.508 1.529 8.895 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.658 1.339 7.457 1.00 0.00 C ATOM 1570 C PHE A 99 -17.325 1.534 6.741 1.00 0.00 C ATOM 1571 O PHE A 99 -16.332 1.924 7.353 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.698 2.312 6.898 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.612 3.688 7.495 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.296 3.996 8.660 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.849 4.674 6.891 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.219 5.261 9.212 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.768 5.940 7.438 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.455 6.235 8.600 1.00 0.00 C ATOM 0 H PHE A 99 -18.975 2.358 9.262 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.997 0.318 7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.572 2.385 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.695 1.909 7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.896 3.239 9.142 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.311 4.450 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.756 5.487 10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.168 6.699 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.395 7.225 9.028 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.313 1.260 5.440 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.103 1.404 4.640 1.00 0.00 C ATOM 1590 C GLN A 100 -16.407 2.087 3.311 1.00 0.00 C ATOM 1591 O GLN A 100 -16.997 1.486 2.414 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.465 0.037 4.391 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.467 -1.043 4.015 1.00 0.00 C ATOM 1594 CD GLN A 100 -17.295 -1.508 5.197 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -18.581 -1.180 5.184 1.00 0.00 O flip ATOM 1596 NE2 GLN A 100 -16.783 -2.155 6.111 1.00 0.00 N flip ATOM 0 H GLN A 100 -18.128 0.937 4.918 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.403 2.028 5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.727 0.130 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.929 -0.273 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.131 -0.663 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.935 -1.895 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.790 -2.385 6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.352 -2.461 6.900 1.00 0.00 H new ATOM 1605 N GLY A 101 -16.000 3.347 3.191 1.00 0.00 N ATOM 1606 CA GLY A 101 -16.239 4.090 1.968 1.00 0.00 C ATOM 1607 C GLY A 101 -15.823 3.320 0.731 1.00 0.00 C ATOM 1608 O GLY A 101 -15.341 2.191 0.827 1.00 0.00 O ATOM 0 H GLY A 101 -15.509 3.866 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.298 4.338 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.693 5.032 2.006 1.00 0.00 H new ATOM 1612 N MET A 102 -16.011 3.929 -0.435 1.00 0.00 N ATOM 1613 CA MET A 102 -15.652 3.292 -1.697 1.00 0.00 C ATOM 1614 C MET A 102 -14.382 2.462 -1.545 1.00 0.00 C ATOM 1615 O MET A 102 -13.439 2.871 -0.866 1.00 0.00 O ATOM 1616 CB MET A 102 -15.459 4.346 -2.789 1.00 0.00 C ATOM 1617 CG MET A 102 -16.733 4.675 -3.549 1.00 0.00 C ATOM 1618 SD MET A 102 -16.500 5.988 -4.762 1.00 0.00 S ATOM 1619 CE MET A 102 -17.024 5.162 -6.262 1.00 0.00 C ATOM 0 H MET A 102 -16.410 4.863 -0.532 1.00 0.00 H new ATOM 0 HA MET A 102 -16.467 2.628 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.070 5.258 -2.337 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.706 3.993 -3.494 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.091 3.778 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.507 4.973 -2.841 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.937 5.848 -7.105 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.393 4.291 -6.437 1.00 0.00 H new ATOM 0 HE3 MET A 102 -18.061 4.844 -6.159 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.364 1.295 -2.179 1.00 0.00 N ATOM 1630 CA ASP A 103 -13.208 0.407 -2.115 1.00 0.00 C ATOM 1631 C ASP A 103 -12.286 0.628 -3.309 1.00 0.00 C ATOM 1632 O ASP A 103 -12.746 0.826 -4.434 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.662 -1.053 -2.068 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.174 -1.543 -3.408 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.311 -1.180 -3.776 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.439 -2.290 -4.088 1.00 0.00 O ATOM 0 H ASP A 103 -15.137 0.941 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.654 0.637 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.829 -1.680 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -14.447 -1.162 -1.320 1.00 0.00 H new ATOM 1641 N SER A 104 -10.981 0.595 -3.057 1.00 0.00 N ATOM 1642 CA SER A 104 -9.993 0.796 -4.111 1.00 0.00 C ATOM 1643 C SER A 104 -9.701 -0.512 -4.839 1.00 0.00 C ATOM 1644 O SER A 104 -10.012 -1.594 -4.342 1.00 0.00 O ATOM 1645 CB SER A 104 -8.700 1.367 -3.525 1.00 0.00 C ATOM 1646 OG SER A 104 -8.133 0.477 -2.580 1.00 0.00 O ATOM 0 H SER A 104 -10.583 0.431 -2.132 1.00 0.00 H new ATOM 0 HA SER A 104 -10.403 1.507 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.986 1.555 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.905 2.326 -3.049 1.00 0.00 H new ATOM 0 HG SER A 104 -7.519 -0.136 -3.035 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.103 -0.403 -6.021 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.769 -1.577 -6.819 1.00 0.00 C ATOM 1654 C GLU A 105 -7.807 -2.492 -6.066 1.00 0.00 C ATOM 1655 O GLU A 105 -6.691 -2.095 -5.731 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.150 -1.156 -8.153 1.00 0.00 C ATOM 1657 CG GLU A 105 -7.063 -0.103 -8.015 1.00 0.00 C ATOM 1658 CD GLU A 105 -7.609 1.310 -8.078 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -7.805 1.820 -9.202 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -7.839 1.907 -7.006 1.00 0.00 O ATOM 0 H GLU A 105 -8.840 0.486 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.690 -2.127 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.732 -2.035 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.936 -0.772 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.542 -0.246 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.327 -0.240 -8.807 1.00 0.00 H new ATOM 1667 N SER A 106 -8.250 -3.717 -5.802 1.00 0.00 N ATOM 1668 CA SER A 106 -7.431 -4.687 -5.084 1.00 0.00 C ATOM 1669 C SER A 106 -6.236 -5.119 -5.928 1.00 0.00 C ATOM 1670 O SER A 106 -6.391 -5.792 -6.947 1.00 0.00 O ATOM 1671 CB SER A 106 -8.268 -5.909 -4.702 1.00 0.00 C ATOM 1672 OG SER A 106 -9.281 -5.563 -3.773 1.00 0.00 O ATOM 0 H SER A 106 -9.171 -4.061 -6.074 1.00 0.00 H new ATOM 0 HA SER A 106 -7.060 -4.211 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.721 -6.337 -5.596 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.623 -6.676 -4.273 1.00 0.00 H new ATOM 0 HG SER A 106 -9.803 -6.361 -3.546 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.042 -4.727 -5.497 1.00 0.00 N ATOM 1679 CA LYS A 107 -3.818 -5.073 -6.210 1.00 0.00 C ATOM 1680 C LYS A 107 -3.206 -6.353 -5.651 1.00 0.00 C ATOM 1681 O LYS A 107 -3.174 -6.561 -4.437 1.00 0.00 O ATOM 1682 CB LYS A 107 -2.807 -3.928 -6.115 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.280 -2.643 -6.772 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.162 -2.714 -8.285 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.292 -1.338 -8.920 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.366 -1.417 -10.405 1.00 0.00 N ATOM 0 H LYS A 107 -4.896 -4.169 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.072 -5.240 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.591 -3.731 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.872 -4.241 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.317 -2.452 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.691 -1.805 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.201 -3.151 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.935 -3.373 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.186 -0.845 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.440 -0.723 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.454 -0.459 -10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.502 -1.865 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.194 -1.983 -10.682 1.00 0.00 H new ATOM 1700 N THR A 108 -2.719 -7.210 -6.543 1.00 0.00 N ATOM 1701 CA THR A 108 -2.108 -8.470 -6.138 1.00 0.00 C ATOM 1702 C THR A 108 -0.588 -8.353 -6.090 1.00 0.00 C ATOM 1703 O THR A 108 0.033 -7.823 -7.011 1.00 0.00 O ATOM 1704 CB THR A 108 -2.493 -9.614 -7.095 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.399 -9.170 -8.453 1.00 0.00 O ATOM 1706 CG2 THR A 108 -3.906 -10.102 -6.812 1.00 0.00 C ATOM 0 H THR A 108 -2.736 -7.054 -7.551 1.00 0.00 H new ATOM 0 HA THR A 108 -2.484 -8.698 -5.141 1.00 0.00 H new ATOM 0 HB THR A 108 -1.801 -10.441 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.644 -9.904 -9.055 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.157 -10.910 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.967 -10.466 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.609 -9.280 -6.947 1.00 0.00 H new ATOM 1714 N VAL A 109 0.005 -8.852 -5.011 1.00 0.00 N ATOM 1715 CA VAL A 109 1.452 -8.806 -4.843 1.00 0.00 C ATOM 1716 C VAL A 109 2.026 -10.202 -4.628 1.00 0.00 C ATOM 1717 O VAL A 109 1.732 -10.858 -3.629 1.00 0.00 O ATOM 1718 CB VAL A 109 1.852 -7.910 -3.656 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.301 -8.472 -2.354 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.364 -7.762 -3.585 1.00 0.00 C ATOM 0 H VAL A 109 -0.495 -9.293 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 109 1.863 -8.385 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 109 1.421 -6.921 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.594 -7.826 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.214 -8.520 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.701 -9.473 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.628 -7.126 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.820 -8.744 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.729 -7.310 -4.507 1.00 0.00 H new ATOM 1730 N ARG A 110 2.847 -10.650 -5.572 1.00 0.00 N ATOM 1731 CA ARG A 110 3.462 -11.969 -5.487 1.00 0.00 C ATOM 1732 C ARG A 110 4.785 -11.904 -4.729 1.00 0.00 C ATOM 1733 O ARG A 110 5.733 -11.249 -5.166 1.00 0.00 O ATOM 1734 CB ARG A 110 3.692 -12.540 -6.887 1.00 0.00 C ATOM 1735 CG ARG A 110 3.837 -14.052 -6.912 1.00 0.00 C ATOM 1736 CD ARG A 110 4.608 -14.518 -8.138 1.00 0.00 C ATOM 1737 NE ARG A 110 5.091 -15.889 -7.992 1.00 0.00 N ATOM 1738 CZ ARG A 110 5.904 -16.477 -8.862 1.00 0.00 C ATOM 1739 NH1 ARG A 110 6.324 -15.818 -9.933 1.00 0.00 N ATOM 1740 NH2 ARG A 110 6.300 -17.728 -8.661 1.00 0.00 N ATOM 0 H ARG A 110 3.102 -10.119 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 110 2.782 -12.624 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.859 -12.253 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.590 -12.090 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.351 -14.384 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.850 -14.513 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.967 -14.451 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.454 -13.852 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 110 4.787 -16.423 -7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.023 -14.856 -10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.948 -16.273 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.980 -18.238 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.924 -18.179 -9.330 1.00 0.00 H new ATOM 1754 N THR A 111 4.843 -12.587 -3.590 1.00 0.00 N ATOM 1755 CA THR A 111 6.048 -12.605 -2.770 1.00 0.00 C ATOM 1756 C THR A 111 7.077 -13.582 -3.328 1.00 0.00 C ATOM 1757 O THR A 111 6.931 -14.798 -3.195 1.00 0.00 O ATOM 1758 CB THR A 111 5.730 -12.988 -1.313 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.234 -14.330 -1.256 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.705 -12.037 -0.714 1.00 0.00 C ATOM 0 H THR A 111 4.069 -13.135 -3.214 1.00 0.00 H new ATOM 0 HA THR A 111 6.460 -11.596 -2.790 1.00 0.00 H new ATOM 0 HB THR A 111 6.650 -12.916 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.107 -14.592 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.497 -12.328 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.098 -11.020 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.785 -12.080 -1.296 1.00 0.00 H new ATOM 1768 N THR A 112 8.120 -13.044 -3.952 1.00 0.00 N ATOM 1769 CA THR A 112 9.174 -13.868 -4.530 1.00 0.00 C ATOM 1770 C THR A 112 9.729 -14.850 -3.504 1.00 0.00 C ATOM 1771 O THR A 112 9.398 -14.779 -2.321 1.00 0.00 O ATOM 1772 CB THR A 112 10.328 -13.005 -5.075 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.268 -13.829 -5.772 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.031 -12.268 -3.946 1.00 0.00 C ATOM 0 H THR A 112 8.257 -12.040 -4.070 1.00 0.00 H new ATOM 0 HA THR A 112 8.725 -14.422 -5.354 1.00 0.00 H new ATOM 0 HB THR A 112 9.910 -12.270 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.998 -13.273 -6.117 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.842 -11.665 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.319 -11.620 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.437 -12.990 -3.237 1.00 0.00 H new ATOM 1782 N GLU A 113 10.576 -15.765 -3.965 1.00 0.00 N ATOM 1783 CA GLU A 113 11.177 -16.761 -3.086 1.00 0.00 C ATOM 1784 C GLU A 113 12.687 -16.558 -2.985 1.00 0.00 C ATOM 1785 O GLU A 113 13.282 -16.768 -1.929 1.00 0.00 O ATOM 1786 CB GLU A 113 10.874 -18.172 -3.594 1.00 0.00 C ATOM 1787 CG GLU A 113 9.499 -18.680 -3.194 1.00 0.00 C ATOM 1788 CD GLU A 113 9.458 -19.188 -1.766 1.00 0.00 C ATOM 1789 OE1 GLU A 113 10.033 -18.519 -0.882 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.852 -20.255 -1.532 1.00 0.00 O ATOM 0 H GLU A 113 10.861 -15.837 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 113 10.744 -16.640 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.954 -18.183 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.631 -18.857 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.771 -17.877 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.201 -19.482 -3.870 1.00 0.00 H new ATOM 1797 N GLU A 114 13.298 -16.149 -4.092 1.00 0.00 N ATOM 1798 CA GLU A 114 14.737 -15.919 -4.129 1.00 0.00 C ATOM 1799 C GLU A 114 15.049 -14.427 -4.203 1.00 0.00 C ATOM 1800 O GLU A 114 14.914 -13.805 -5.257 1.00 0.00 O ATOM 1801 CB GLU A 114 15.361 -16.641 -5.325 1.00 0.00 C ATOM 1802 CG GLU A 114 15.553 -18.132 -5.104 1.00 0.00 C ATOM 1803 CD GLU A 114 15.989 -18.857 -6.362 1.00 0.00 C ATOM 1804 OE1 GLU A 114 15.378 -18.622 -7.425 1.00 0.00 O ATOM 1805 OE2 GLU A 114 16.943 -19.659 -6.283 1.00 0.00 O ATOM 0 H GLU A 114 12.819 -15.970 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 114 15.166 -16.317 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.728 -16.491 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.327 -16.188 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.298 -18.287 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.620 -18.565 -4.744 1.00 0.00 H new ATOM 1812 N SER A 115 15.464 -13.859 -3.075 1.00 0.00 N ATOM 1813 CA SER A 115 15.790 -12.439 -3.010 1.00 0.00 C ATOM 1814 C SER A 115 17.152 -12.224 -2.356 1.00 0.00 C ATOM 1815 O SER A 115 17.441 -12.782 -1.299 1.00 0.00 O ATOM 1816 CB SER A 115 14.713 -11.682 -2.231 1.00 0.00 C ATOM 1817 OG SER A 115 14.623 -10.335 -2.663 1.00 0.00 O ATOM 0 H SER A 115 15.582 -14.360 -2.194 1.00 0.00 H new ATOM 0 HA SER A 115 15.830 -12.054 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.750 -12.175 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.942 -11.711 -1.166 1.00 0.00 H new ATOM 0 HG SER A 115 13.927 -9.873 -2.151 1.00 0.00 H new ATOM 1823 N GLY A 116 17.987 -11.410 -2.996 1.00 0.00 N ATOM 1824 CA GLY A 116 19.308 -11.134 -2.463 1.00 0.00 C ATOM 1825 C GLY A 116 19.924 -9.884 -3.058 1.00 0.00 C ATOM 1826 O GLY A 116 19.793 -8.785 -2.520 1.00 0.00 O ATOM 0 H GLY A 116 17.772 -10.937 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 116 19.244 -11.024 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 116 19.960 -11.985 -2.658 1.00 0.00 H new ATOM 1830 N PRO A 117 20.617 -10.045 -4.196 1.00 0.00 N ATOM 1831 CA PRO A 117 21.271 -8.931 -4.888 1.00 0.00 C ATOM 1832 C PRO A 117 20.267 -7.972 -5.520 1.00 0.00 C ATOM 1833 O PRO A 117 19.827 -8.176 -6.651 1.00 0.00 O ATOM 1834 CB PRO A 117 22.102 -9.624 -5.971 1.00 0.00 C ATOM 1835 CG PRO A 117 21.402 -10.917 -6.215 1.00 0.00 C ATOM 1836 CD PRO A 117 20.815 -11.326 -4.893 1.00 0.00 C ATOM 0 HA PRO A 117 21.860 -8.318 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 117 22.150 -9.022 -6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 117 23.128 -9.785 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 117 20.623 -10.803 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 117 22.095 -11.672 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 117 19.875 -11.864 -5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 117 21.487 -11.984 -4.341 1.00 0.00 H new ATOM 1844 N SER A 118 19.910 -6.925 -4.782 1.00 0.00 N ATOM 1845 CA SER A 118 18.956 -5.937 -5.270 1.00 0.00 C ATOM 1846 C SER A 118 19.146 -4.601 -4.557 1.00 0.00 C ATOM 1847 O SER A 118 19.732 -4.539 -3.476 1.00 0.00 O ATOM 1848 CB SER A 118 17.524 -6.436 -5.068 1.00 0.00 C ATOM 1849 OG SER A 118 16.584 -5.513 -5.590 1.00 0.00 O ATOM 0 H SER A 118 20.267 -6.740 -3.845 1.00 0.00 H new ATOM 0 HA SER A 118 19.135 -5.790 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 118 17.400 -7.402 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 118 17.336 -6.590 -4.005 1.00 0.00 H new ATOM 0 HG SER A 118 15.677 -5.856 -5.450 1.00 0.00 H new ATOM 1855 N SER A 119 18.644 -3.534 -5.170 1.00 0.00 N ATOM 1856 CA SER A 119 18.761 -2.198 -4.597 1.00 0.00 C ATOM 1857 C SER A 119 17.649 -1.288 -5.109 1.00 0.00 C ATOM 1858 O SER A 119 17.354 -1.260 -6.303 1.00 0.00 O ATOM 1859 CB SER A 119 20.126 -1.593 -4.934 1.00 0.00 C ATOM 1860 OG SER A 119 20.366 -1.623 -6.331 1.00 0.00 O ATOM 0 H SER A 119 18.152 -3.568 -6.063 1.00 0.00 H new ATOM 0 HA SER A 119 18.667 -2.284 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 119 20.170 -0.564 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.910 -2.145 -4.415 1.00 0.00 H new ATOM 0 HG SER A 119 21.243 -1.230 -6.521 1.00 0.00 H new ATOM 1866 N GLY A 120 17.033 -0.544 -4.194 1.00 0.00 N ATOM 1867 CA GLY A 120 15.960 0.357 -4.571 1.00 0.00 C ATOM 1868 C GLY A 120 14.883 -0.333 -5.385 1.00 0.00 C ATOM 1869 O GLY A 120 14.030 -1.029 -4.836 1.00 0.00 O ATOM 0 H GLY A 120 17.258 -0.550 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 120 15.515 0.783 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.371 1.186 -5.147 1.00 0.00 H new TER 1873 GLY A 120