USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 852 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 72 LYS NZ :NH3+ -167:sc= -0.381! (180deg=-0.847!) USER MOD Set 1.2: A 79 GLN : amide:sc= -4.99! C(o=-6.9!,f=-3!) USER MOD Set 1.3: A 93 GLN : amide:sc= -0.776 K(o=-6.9,f=-11) USER MOD Set 1.4: A 100 GLN : amide:sc= -0.754 K(o=-6.9,f=-4.2!) USER MOD Set 2.1: A 16 GLN : amide:sc= -4.78! C(o=-5.9!,f=-2.1!) USER MOD Set 2.2: A 48 GLN : amide:sc= -1.09! K(o=-5.9!,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0938 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.438! 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 7 GLN : amide:sc= -2.92! C(o=-2.9!,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.088) USER MOD Single : A 21 THR OG1 : rot -38:sc= 0.208! USER MOD Single : A 25 SER OG : rot 180:sc= -1.47 USER MOD Single : A 26 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.36) USER MOD Single : A 27 HIS : no HD1:sc=-0.00508 X(o=-0.0051,f=-0.1) USER MOD Single : A 30 GLN : amide:sc= -0.365 K(o=-0.37,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -8.21! C(o=-8.2!,f=-6.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc=-0.00552 K(o=-0.0055,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc= -20.4! C(o=-20!,f=-28!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 77 SER OG : rot 180:sc= -0.291 USER MOD Single : A 82 SER OG : rot 63:sc= -4.89! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -5.3! C(o=-5.3!,f=-3!) USER MOD Single : A 92 ASN : amide:sc= -0.0443 K(o=-0.044,f=-1.7!) USER MOD Single : A 96 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.38) USER MOD Single : A 101 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.740 -3.983 38.194 1.00 0.00 N ATOM 2 CA GLY A 1 -13.504 -4.538 36.831 1.00 0.00 C ATOM 3 C GLY A 1 -12.102 -5.133 36.758 1.00 0.00 C ATOM 4 O GLY A 1 -11.219 -4.762 37.532 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.472 -4.544 38.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.857 -4.022 38.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.056 -2.995 38.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.247 -5.303 36.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.617 -3.753 36.083 1.00 0.00 H new ATOM 10 N SER A 2 -11.905 -6.060 35.825 1.00 0.00 N ATOM 11 CA SER A 2 -10.603 -6.698 35.664 1.00 0.00 C ATOM 12 C SER A 2 -10.180 -6.710 34.198 1.00 0.00 C ATOM 13 O SER A 2 -9.996 -5.657 33.586 1.00 0.00 O ATOM 14 CB SER A 2 -10.654 -8.133 36.191 1.00 0.00 C ATOM 15 OG SER A 2 -9.449 -8.803 35.842 1.00 0.00 O ATOM 0 H SER A 2 -12.622 -6.383 35.176 1.00 0.00 H new ATOM 0 HA SER A 2 -9.872 -6.125 36.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.783 -8.131 37.273 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.511 -8.658 35.769 1.00 0.00 H new ATOM 0 HG SER A 2 -9.477 -9.723 36.179 1.00 0.00 H new ATOM 21 N SER A 3 -10.020 -7.907 33.646 1.00 0.00 N ATOM 22 CA SER A 3 -9.609 -8.049 32.255 1.00 0.00 C ATOM 23 C SER A 3 -10.794 -7.860 31.312 1.00 0.00 C ATOM 24 O SER A 3 -10.638 -7.923 30.092 1.00 0.00 O ATOM 25 CB SER A 3 -8.993 -9.429 32.032 1.00 0.00 C ATOM 26 OG SER A 3 -9.992 -10.425 32.210 1.00 0.00 O ATOM 0 H SER A 3 -10.168 -8.789 34.137 1.00 0.00 H new ATOM 0 HA SER A 3 -8.869 -7.278 32.040 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.573 -9.494 31.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.173 -9.591 32.732 1.00 0.00 H new ATOM 0 HG SER A 3 -9.600 -11.311 32.066 1.00 0.00 H new ATOM 32 N LEU A 4 -11.975 -7.626 31.876 1.00 0.00 N ATOM 33 CA LEU A 4 -13.163 -7.430 31.053 1.00 0.00 C ATOM 34 C LEU A 4 -13.114 -6.063 30.381 1.00 0.00 C ATOM 35 O LEU A 4 -13.281 -5.033 31.032 1.00 0.00 O ATOM 36 CB LEU A 4 -14.421 -7.530 31.919 1.00 0.00 C ATOM 37 CG LEU A 4 -15.664 -7.386 31.038 1.00 0.00 C ATOM 38 CD1 LEU A 4 -15.866 -8.662 30.218 1.00 0.00 C ATOM 39 CD2 LEU A 4 -16.889 -7.151 31.925 1.00 0.00 C ATOM 0 H LEU A 4 -12.134 -7.568 32.882 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.191 -8.205 30.287 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.441 -8.487 32.440 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.412 -6.752 32.682 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.533 -6.541 30.362 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.752 -8.556 29.592 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.994 -8.831 29.587 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.997 -9.510 30.891 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.776 -7.048 31.300 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.017 -7.997 32.600 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.747 -6.240 32.507 1.00 0.00 H new ATOM 51 N SER A 5 -12.879 -6.066 29.074 1.00 0.00 N ATOM 52 CA SER A 5 -12.803 -4.821 28.319 1.00 0.00 C ATOM 53 C SER A 5 -12.823 -5.096 26.818 1.00 0.00 C ATOM 54 O SER A 5 -11.771 -5.211 26.188 1.00 0.00 O ATOM 55 CB SER A 5 -11.521 -4.076 28.686 1.00 0.00 C ATOM 56 OG SER A 5 -11.735 -2.676 28.556 1.00 0.00 O ATOM 0 H SER A 5 -12.739 -6.910 28.518 1.00 0.00 H new ATOM 0 HA SER A 5 -13.669 -4.210 28.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.227 -4.317 29.708 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.705 -4.392 28.036 1.00 0.00 H new ATOM 0 HG SER A 5 -10.914 -2.196 28.793 1.00 0.00 H new ATOM 62 N PRO A 6 -13.988 -5.198 26.237 1.00 0.00 N ATOM 63 CA PRO A 6 -14.139 -5.458 24.780 1.00 0.00 C ATOM 64 C PRO A 6 -13.840 -4.213 23.951 1.00 0.00 C ATOM 65 O PRO A 6 -13.816 -4.263 22.722 1.00 0.00 O ATOM 66 CB PRO A 6 -15.606 -5.885 24.614 1.00 0.00 C ATOM 67 CG PRO A 6 -16.226 -5.857 25.980 1.00 0.00 C ATOM 68 CD PRO A 6 -15.287 -5.074 26.896 1.00 0.00 C ATOM 0 HA PRO A 6 -13.439 -6.217 24.431 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.131 -5.210 23.938 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.671 -6.883 24.181 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.208 -5.386 25.945 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.371 -6.870 26.356 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.593 -4.032 26.988 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.268 -5.491 27.903 1.00 0.00 H new ATOM 76 N GLN A 7 -13.611 -3.100 24.638 1.00 0.00 N ATOM 77 CA GLN A 7 -13.313 -1.843 23.964 1.00 0.00 C ATOM 78 C GLN A 7 -11.876 -1.838 23.455 1.00 0.00 C ATOM 79 O GLN A 7 -11.389 -0.824 22.954 1.00 0.00 O ATOM 80 CB GLN A 7 -13.519 -0.674 24.930 1.00 0.00 C ATOM 81 CG GLN A 7 -14.388 0.396 24.265 1.00 0.00 C ATOM 82 CD GLN A 7 -13.709 0.908 23.001 1.00 0.00 C ATOM 83 OE1 GLN A 7 -12.502 1.149 22.997 1.00 0.00 O ATOM 84 NE2 GLN A 7 -14.416 1.092 21.919 1.00 0.00 N ATOM 0 H GLN A 7 -13.626 -3.042 25.656 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.988 -1.736 23.115 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.995 -1.025 25.846 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.556 -0.250 25.214 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -15.366 -0.019 24.020 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.556 1.221 24.957 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.416 0.892 21.923 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.968 1.436 21.069 1.00 0.00 H new ATOM 93 N ALA A 8 -11.202 -2.976 23.587 1.00 0.00 N ATOM 94 CA ALA A 8 -9.822 -3.086 23.136 1.00 0.00 C ATOM 95 C ALA A 8 -9.762 -3.140 21.613 1.00 0.00 C ATOM 96 O ALA A 8 -10.289 -4.064 20.993 1.00 0.00 O ATOM 97 CB ALA A 8 -9.180 -4.345 23.720 1.00 0.00 C ATOM 0 H ALA A 8 -11.586 -3.827 23.999 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.275 -2.208 23.480 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.148 -4.419 23.378 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.198 -4.291 24.809 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.736 -5.223 23.391 1.00 0.00 H new ATOM 103 N LEU A 9 -9.116 -2.142 21.021 1.00 0.00 N ATOM 104 CA LEU A 9 -8.989 -2.082 19.570 1.00 0.00 C ATOM 105 C LEU A 9 -7.758 -2.856 19.093 1.00 0.00 C ATOM 106 O LEU A 9 -6.756 -2.955 19.801 1.00 0.00 O ATOM 107 CB LEU A 9 -8.965 -0.618 19.083 1.00 0.00 C ATOM 108 CG LEU A 9 -7.700 0.141 19.538 1.00 0.00 C ATOM 109 CD1 LEU A 9 -7.355 -0.182 20.994 1.00 0.00 C ATOM 110 CD2 LEU A 9 -6.517 -0.222 18.638 1.00 0.00 C ATOM 0 H LEU A 9 -8.675 -1.369 21.519 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.864 -2.562 19.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.022 -0.601 17.995 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.848 -0.101 19.457 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.904 1.209 19.460 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.460 0.367 21.286 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.185 0.109 21.638 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.174 -1.252 21.096 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.630 0.319 18.967 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.331 -1.294 18.697 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.746 0.051 17.608 1.00 0.00 H new ATOM 122 N ALA A 10 -7.860 -3.433 17.897 1.00 0.00 N ATOM 123 CA ALA A 10 -6.769 -4.228 17.330 1.00 0.00 C ATOM 124 C ALA A 10 -5.557 -3.358 17.013 1.00 0.00 C ATOM 125 O ALA A 10 -5.597 -2.141 17.164 1.00 0.00 O ATOM 126 CB ALA A 10 -7.243 -4.922 16.053 1.00 0.00 C ATOM 0 H ALA A 10 -8.685 -3.366 17.301 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.475 -4.972 18.070 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.427 -5.512 15.635 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.083 -5.577 16.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.557 -4.172 15.327 1.00 0.00 H new ATOM 132 N GLN A 11 -4.474 -3.995 16.574 1.00 0.00 N ATOM 133 CA GLN A 11 -3.257 -3.263 16.243 1.00 0.00 C ATOM 134 C GLN A 11 -3.346 -2.680 14.831 1.00 0.00 C ATOM 135 O GLN A 11 -3.910 -3.299 13.929 1.00 0.00 O ATOM 136 CB GLN A 11 -2.045 -4.193 16.332 1.00 0.00 C ATOM 137 CG GLN A 11 -1.913 -4.736 17.755 1.00 0.00 C ATOM 138 CD GLN A 11 -1.432 -3.633 18.691 1.00 0.00 C ATOM 139 OE1 GLN A 11 -2.008 -3.428 19.760 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.402 -2.907 18.352 1.00 0.00 N ATOM 0 H GLN A 11 -4.415 -5.005 16.441 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.144 -2.447 16.957 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.155 -5.017 15.627 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.140 -3.654 16.053 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.874 -5.121 18.097 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.211 -5.570 17.771 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.074 -3.079 17.466 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.072 -2.168 18.973 1.00 0.00 H new ATOM 149 N PRO A 12 -2.798 -1.509 14.632 1.00 0.00 N ATOM 150 CA PRO A 12 -2.812 -0.830 13.306 1.00 0.00 C ATOM 151 C PRO A 12 -2.246 -1.714 12.194 1.00 0.00 C ATOM 152 O PRO A 12 -1.554 -2.698 12.459 1.00 0.00 O ATOM 153 CB PRO A 12 -1.940 0.419 13.484 1.00 0.00 C ATOM 154 CG PRO A 12 -1.439 0.426 14.896 1.00 0.00 C ATOM 155 CD PRO A 12 -2.117 -0.713 15.657 1.00 0.00 C ATOM 0 HA PRO A 12 -3.833 -0.594 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.106 0.407 12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.517 1.321 13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.356 0.302 14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.658 1.382 15.371 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.387 -1.313 16.201 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.825 -0.329 16.392 1.00 0.00 H new ATOM 163 N LEU A 13 -2.543 -1.347 10.951 1.00 0.00 N ATOM 164 CA LEU A 13 -2.059 -2.099 9.799 1.00 0.00 C ATOM 165 C LEU A 13 -0.678 -1.604 9.404 1.00 0.00 C ATOM 166 O LEU A 13 -0.445 -0.398 9.323 1.00 0.00 O ATOM 167 CB LEU A 13 -3.016 -1.914 8.621 1.00 0.00 C ATOM 168 CG LEU A 13 -2.701 -2.928 7.519 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.826 -2.898 6.489 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.384 -2.564 6.828 1.00 0.00 C ATOM 0 H LEU A 13 -3.115 -0.536 10.716 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.005 -3.155 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.046 -2.039 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.929 -0.901 8.228 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.611 -3.922 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.614 -3.617 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.768 -3.157 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.901 -1.898 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.170 -3.292 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.467 -1.571 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.576 -2.569 7.559 1.00 0.00 H new ATOM 182 N LEU A 14 0.240 -2.529 9.153 1.00 0.00 N ATOM 183 CA LEU A 14 1.578 -2.146 8.766 1.00 0.00 C ATOM 184 C LEU A 14 1.740 -2.236 7.253 1.00 0.00 C ATOM 185 O LEU A 14 1.612 -3.306 6.656 1.00 0.00 O ATOM 186 CB LEU A 14 2.581 -3.047 9.479 1.00 0.00 C ATOM 187 CG LEU A 14 2.326 -2.985 10.988 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.496 -3.627 11.737 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.177 -1.523 11.425 1.00 0.00 C ATOM 0 H LEU A 14 0.079 -3.535 9.211 1.00 0.00 H new ATOM 0 HA LEU A 14 1.762 -1.112 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.484 -4.073 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.599 -2.727 9.256 1.00 0.00 H new ATOM 0 HG LEU A 14 1.409 -3.528 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.310 -3.581 12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.597 -4.668 11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.416 -3.090 11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.996 -1.481 12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.091 -0.978 11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.338 -1.069 10.897 1.00 0.00 H new ATOM 201 N LEU A 15 2.002 -1.089 6.644 1.00 0.00 N ATOM 202 CA LEU A 15 2.167 -1.007 5.201 1.00 0.00 C ATOM 203 C LEU A 15 3.476 -0.285 4.871 1.00 0.00 C ATOM 204 O LEU A 15 3.763 0.771 5.434 1.00 0.00 O ATOM 205 CB LEU A 15 0.965 -0.246 4.619 1.00 0.00 C ATOM 206 CG LEU A 15 0.871 -0.441 3.104 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.076 0.211 2.431 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.831 -1.939 2.778 1.00 0.00 C ATOM 0 H LEU A 15 2.105 -0.198 7.130 1.00 0.00 H new ATOM 0 HA LEU A 15 2.211 -2.005 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.047 -0.595 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.058 0.816 4.847 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.041 0.026 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.009 0.072 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.088 1.277 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.992 -0.250 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.764 -2.075 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.738 -2.416 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.038 -2.392 3.255 1.00 0.00 H new ATOM 220 N GLN A 16 4.272 -0.854 3.964 1.00 0.00 N ATOM 221 CA GLN A 16 5.545 -0.236 3.595 1.00 0.00 C ATOM 222 C GLN A 16 5.633 -0.002 2.094 1.00 0.00 C ATOM 223 O GLN A 16 4.933 -0.641 1.310 1.00 0.00 O ATOM 224 CB GLN A 16 6.713 -1.113 4.046 1.00 0.00 C ATOM 225 CG GLN A 16 6.962 -0.897 5.538 1.00 0.00 C ATOM 226 CD GLN A 16 8.147 -1.739 5.998 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.600 -1.606 7.136 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.677 -2.606 5.180 1.00 0.00 N ATOM 0 H GLN A 16 4.062 -1.727 3.479 1.00 0.00 H new ATOM 0 HA GLN A 16 5.601 0.729 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.491 -2.162 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.609 -0.866 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.157 0.157 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.072 -1.167 6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.301 -2.715 4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.468 -3.175 5.482 1.00 0.00 H new ATOM 237 N LEU A 17 6.497 0.931 1.707 1.00 0.00 N ATOM 238 CA LEU A 17 6.670 1.259 0.300 1.00 0.00 C ATOM 239 C LEU A 17 8.146 1.416 -0.055 1.00 0.00 C ATOM 240 O LEU A 17 8.871 2.180 0.584 1.00 0.00 O ATOM 241 CB LEU A 17 5.923 2.555 -0.016 1.00 0.00 C ATOM 242 CG LEU A 17 6.037 2.869 -1.511 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.060 1.995 -2.299 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.703 4.344 -1.741 1.00 0.00 C ATOM 0 H LEU A 17 7.084 1.469 2.345 1.00 0.00 H new ATOM 0 HA LEU A 17 6.264 0.441 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.874 2.459 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.337 3.376 0.570 1.00 0.00 H new ATOM 0 HG LEU A 17 7.053 2.664 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.145 2.222 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.296 0.944 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.042 2.195 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.782 4.574 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.687 4.544 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.402 4.967 -1.182 1.00 0.00 H new ATOM 256 N PHE A 18 8.580 0.704 -1.092 1.00 0.00 N ATOM 257 CA PHE A 18 9.965 0.788 -1.541 1.00 0.00 C ATOM 258 C PHE A 18 10.070 1.748 -2.715 1.00 0.00 C ATOM 259 O PHE A 18 9.414 1.561 -3.740 1.00 0.00 O ATOM 260 CB PHE A 18 10.471 -0.591 -1.971 1.00 0.00 C ATOM 261 CG PHE A 18 10.835 -1.408 -0.757 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.841 -2.083 -0.040 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.173 -1.497 -0.354 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.185 -2.846 1.081 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.518 -2.260 0.767 1.00 0.00 C ATOM 266 CZ PHE A 18 11.523 -2.936 1.485 1.00 0.00 C ATOM 0 H PHE A 18 7.996 0.067 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 18 10.575 1.151 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.703 -1.105 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.340 -0.483 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.809 -2.015 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.939 -0.976 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.418 -3.366 1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.550 -2.328 1.078 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.788 -3.526 2.350 1.00 0.00 H new ATOM 276 N VAL A 19 10.888 2.780 -2.559 1.00 0.00 N ATOM 277 CA VAL A 19 11.049 3.763 -3.621 1.00 0.00 C ATOM 278 C VAL A 19 12.522 4.074 -3.873 1.00 0.00 C ATOM 279 O VAL A 19 13.372 3.874 -3.003 1.00 0.00 O ATOM 280 CB VAL A 19 10.315 5.047 -3.243 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.888 4.709 -2.805 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.052 5.734 -2.090 1.00 0.00 C ATOM 0 H VAL A 19 11.442 2.957 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 19 10.628 3.346 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 19 10.283 5.714 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.364 5.626 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.363 4.218 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.920 4.042 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.529 6.651 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.083 5.066 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.069 5.974 -2.400 1.00 0.00 H new ATOM 292 N ASP A 20 12.805 4.580 -5.067 1.00 0.00 N ATOM 293 CA ASP A 20 14.166 4.946 -5.440 1.00 0.00 C ATOM 294 C ASP A 20 14.362 6.446 -5.248 1.00 0.00 C ATOM 295 O ASP A 20 15.287 7.040 -5.799 1.00 0.00 O ATOM 296 CB ASP A 20 14.438 4.570 -6.897 1.00 0.00 C ATOM 297 CG ASP A 20 13.543 5.390 -7.812 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.890 6.288 -7.312 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.517 5.104 -8.999 1.00 0.00 O ATOM 0 H ASP A 20 12.110 4.746 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 20 14.865 4.403 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.485 4.750 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.253 3.507 -7.049 1.00 0.00 H new ATOM 304 N THR A 21 13.472 7.042 -4.456 1.00 0.00 N ATOM 305 CA THR A 21 13.521 8.475 -4.171 1.00 0.00 C ATOM 306 C THR A 21 13.072 9.306 -5.375 1.00 0.00 C ATOM 307 O THR A 21 13.085 10.535 -5.323 1.00 0.00 O ATOM 308 CB THR A 21 14.939 8.889 -3.761 1.00 0.00 C ATOM 309 OG1 THR A 21 15.757 8.995 -4.917 1.00 0.00 O ATOM 310 CG2 THR A 21 15.531 7.850 -2.805 1.00 0.00 C ATOM 0 H THR A 21 12.704 6.551 -3.998 1.00 0.00 H new ATOM 0 HA THR A 21 12.832 8.668 -3.348 1.00 0.00 H new ATOM 0 HB THR A 21 14.897 9.854 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.521 8.285 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.539 8.152 -2.519 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.907 7.778 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.570 6.880 -3.301 1.00 0.00 H new ATOM 318 N ARG A 22 12.659 8.638 -6.451 1.00 0.00 N ATOM 319 CA ARG A 22 12.194 9.352 -7.640 1.00 0.00 C ATOM 320 C ARG A 22 10.804 9.940 -7.397 1.00 0.00 C ATOM 321 O ARG A 22 9.998 9.366 -6.664 1.00 0.00 O ATOM 322 CB ARG A 22 12.157 8.416 -8.846 1.00 0.00 C ATOM 323 CG ARG A 22 10.928 7.513 -8.761 1.00 0.00 C ATOM 324 CD ARG A 22 11.012 6.456 -9.858 1.00 0.00 C ATOM 325 NE ARG A 22 10.536 5.171 -9.363 1.00 0.00 N ATOM 326 CZ ARG A 22 11.111 4.034 -9.743 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.244 3.765 -11.013 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.542 3.189 -8.848 1.00 0.00 N ATOM 0 H ARG A 22 12.636 7.621 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 22 12.892 10.164 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.130 8.997 -9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.063 7.811 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.878 7.036 -7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.019 8.103 -8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.416 6.766 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.042 6.361 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 22 9.749 5.143 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.907 4.427 -11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.685 2.893 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.438 3.400 -7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.983 2.317 -9.141 1.00 0.00 H new ATOM 342 N PRO A 23 10.518 11.074 -7.982 1.00 0.00 N ATOM 343 CA PRO A 23 9.204 11.755 -7.812 1.00 0.00 C ATOM 344 C PRO A 23 8.023 10.841 -8.132 1.00 0.00 C ATOM 345 O PRO A 23 6.977 10.927 -7.490 1.00 0.00 O ATOM 346 CB PRO A 23 9.230 12.930 -8.796 1.00 0.00 C ATOM 347 CG PRO A 23 10.540 12.885 -9.518 1.00 0.00 C ATOM 348 CD PRO A 23 11.421 11.822 -8.859 1.00 0.00 C ATOM 0 HA PRO A 23 9.069 12.065 -6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.402 12.858 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.117 13.876 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.384 12.649 -10.571 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.028 13.859 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.878 11.170 -9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.233 12.278 -8.293 1.00 0.00 H new ATOM 356 N LEU A 24 8.187 9.974 -9.128 1.00 0.00 N ATOM 357 CA LEU A 24 7.109 9.068 -9.512 1.00 0.00 C ATOM 358 C LEU A 24 6.633 8.275 -8.301 1.00 0.00 C ATOM 359 O LEU A 24 5.433 8.149 -8.062 1.00 0.00 O ATOM 360 CB LEU A 24 7.594 8.104 -10.595 1.00 0.00 C ATOM 361 CG LEU A 24 6.434 7.212 -11.041 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.520 7.990 -11.988 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.989 5.986 -11.766 1.00 0.00 C ATOM 0 H LEU A 24 9.042 9.880 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 24 6.280 9.659 -9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.985 8.663 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.411 7.492 -10.213 1.00 0.00 H new ATOM 0 HG LEU A 24 5.864 6.896 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.695 7.351 -12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.125 8.866 -11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.088 8.308 -12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.165 5.348 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.559 6.306 -12.638 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.639 5.428 -11.092 1.00 0.00 H new ATOM 375 N SER A 25 7.584 7.761 -7.529 1.00 0.00 N ATOM 376 CA SER A 25 7.251 7.003 -6.333 1.00 0.00 C ATOM 377 C SER A 25 6.563 7.920 -5.333 1.00 0.00 C ATOM 378 O SER A 25 5.557 7.551 -4.724 1.00 0.00 O ATOM 379 CB SER A 25 8.518 6.418 -5.715 1.00 0.00 C ATOM 380 OG SER A 25 9.252 5.726 -6.716 1.00 0.00 O ATOM 0 H SER A 25 8.583 7.855 -7.709 1.00 0.00 H new ATOM 0 HA SER A 25 6.581 6.185 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.127 7.213 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.260 5.739 -4.902 1.00 0.00 H new ATOM 0 HG SER A 25 10.067 5.350 -6.323 1.00 0.00 H new ATOM 386 N GLN A 26 7.095 9.132 -5.196 1.00 0.00 N ATOM 387 CA GLN A 26 6.504 10.112 -4.296 1.00 0.00 C ATOM 388 C GLN A 26 5.121 10.456 -4.820 1.00 0.00 C ATOM 389 O GLN A 26 4.188 10.719 -4.062 1.00 0.00 O ATOM 390 CB GLN A 26 7.371 11.372 -4.244 1.00 0.00 C ATOM 391 CG GLN A 26 8.803 10.990 -3.865 1.00 0.00 C ATOM 392 CD GLN A 26 8.803 10.147 -2.595 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.167 10.513 -1.605 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.482 9.033 -2.563 1.00 0.00 N ATOM 0 H GLN A 26 7.926 9.455 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 26 6.437 9.703 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.361 11.873 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.966 12.075 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.267 10.434 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.399 11.890 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.008 8.732 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.487 8.463 -1.717 1.00 0.00 H new ATOM 403 N HIS A 27 5.011 10.422 -6.140 1.00 0.00 N ATOM 404 CA HIS A 27 3.757 10.694 -6.819 1.00 0.00 C ATOM 405 C HIS A 27 2.744 9.634 -6.400 1.00 0.00 C ATOM 406 O HIS A 27 1.641 9.930 -5.923 1.00 0.00 O ATOM 407 CB HIS A 27 4.008 10.594 -8.323 1.00 0.00 C ATOM 408 CG HIS A 27 3.141 11.553 -9.078 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.846 11.860 -8.695 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.387 12.285 -10.208 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.363 12.748 -9.587 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.264 13.041 -10.531 1.00 0.00 N ATOM 0 H HIS A 27 5.786 10.206 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 27 3.377 11.684 -6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.057 10.803 -8.535 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.811 9.577 -8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.312 12.277 -10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.370 13.171 -9.545 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.152 13.680 -11.318 1.00 0.00 H new ATOM 420 N ILE A 28 3.162 8.385 -6.563 1.00 0.00 N ATOM 421 CA ILE A 28 2.342 7.249 -6.195 1.00 0.00 C ATOM 422 C ILE A 28 2.097 7.244 -4.691 1.00 0.00 C ATOM 423 O ILE A 28 1.037 6.822 -4.225 1.00 0.00 O ATOM 424 CB ILE A 28 3.038 5.959 -6.626 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.114 5.921 -8.155 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.246 4.751 -6.121 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.920 4.699 -8.598 1.00 0.00 C ATOM 0 H ILE A 28 4.072 8.137 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 28 1.378 7.320 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 28 4.043 5.926 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.110 5.880 -8.578 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.581 6.832 -8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.746 3.833 -6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.188 4.783 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.240 4.775 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.973 4.673 -9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.928 4.759 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.434 3.792 -8.237 1.00 0.00 H new ATOM 439 N VAL A 29 3.079 7.730 -3.933 1.00 0.00 N ATOM 440 CA VAL A 29 2.942 7.784 -2.483 1.00 0.00 C ATOM 441 C VAL A 29 1.698 8.574 -2.111 1.00 0.00 C ATOM 442 O VAL A 29 0.911 8.146 -1.267 1.00 0.00 O ATOM 443 CB VAL A 29 4.173 8.432 -1.851 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.854 8.826 -0.408 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.328 7.430 -1.850 1.00 0.00 C ATOM 0 H VAL A 29 3.964 8.086 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 29 2.851 6.766 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 29 4.452 9.317 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.731 9.289 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.025 9.534 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.579 7.937 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.208 7.889 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.044 6.549 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.556 7.137 -2.875 1.00 0.00 H new ATOM 455 N GLN A 30 1.511 9.719 -2.757 1.00 0.00 N ATOM 456 CA GLN A 30 0.335 10.529 -2.484 1.00 0.00 C ATOM 457 C GLN A 30 -0.904 9.711 -2.783 1.00 0.00 C ATOM 458 O GLN A 30 -1.865 9.710 -2.012 1.00 0.00 O ATOM 459 CB GLN A 30 0.325 11.790 -3.349 1.00 0.00 C ATOM 460 CG GLN A 30 1.516 12.676 -2.994 1.00 0.00 C ATOM 461 CD GLN A 30 1.556 12.933 -1.492 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.512 13.104 -0.862 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.708 12.976 -0.878 1.00 0.00 N ATOM 0 H GLN A 30 2.145 10.100 -3.459 1.00 0.00 H new ATOM 0 HA GLN A 30 0.352 10.829 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.365 11.518 -4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.605 12.338 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.442 12.197 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.446 13.623 -3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.571 12.834 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.744 13.152 0.126 1.00 0.00 H new ATOM 472 N ARG A 31 -0.869 8.993 -3.903 1.00 0.00 N ATOM 473 CA ARG A 31 -2.000 8.159 -4.277 1.00 0.00 C ATOM 474 C ARG A 31 -2.209 7.070 -3.234 1.00 0.00 C ATOM 475 O ARG A 31 -3.340 6.747 -2.876 1.00 0.00 O ATOM 476 CB ARG A 31 -1.764 7.519 -5.644 1.00 0.00 C ATOM 477 CG ARG A 31 -1.689 8.610 -6.711 1.00 0.00 C ATOM 478 CD ARG A 31 -1.667 7.964 -8.094 1.00 0.00 C ATOM 479 NE ARG A 31 -1.436 8.975 -9.121 1.00 0.00 N ATOM 480 CZ ARG A 31 -2.356 9.240 -10.042 1.00 0.00 C ATOM 481 NH1 ARG A 31 -3.098 8.279 -10.520 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.520 10.463 -10.469 1.00 0.00 N ATOM 0 H ARG A 31 -0.084 8.973 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.890 8.787 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.839 6.942 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.571 6.823 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.545 9.279 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.794 9.216 -6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.884 7.207 -8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.613 7.456 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.554 9.487 -9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.972 7.323 -10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.804 8.483 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.942 11.215 -10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.227 10.666 -11.176 1.00 0.00 H new ATOM 496 N VAL A 32 -1.109 6.514 -2.738 1.00 0.00 N ATOM 497 CA VAL A 32 -1.195 5.473 -1.727 1.00 0.00 C ATOM 498 C VAL A 32 -1.809 6.036 -0.450 1.00 0.00 C ATOM 499 O VAL A 32 -2.773 5.488 0.081 1.00 0.00 O ATOM 500 CB VAL A 32 0.200 4.916 -1.430 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.127 3.967 -0.233 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.713 4.154 -2.654 1.00 0.00 C ATOM 0 H VAL A 32 -0.160 6.764 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.828 4.668 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 32 0.879 5.737 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.120 3.571 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.241 4.508 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.551 3.145 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.706 3.756 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.034 3.333 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.765 4.830 -3.508 1.00 0.00 H new ATOM 512 N LYS A 33 -1.249 7.142 0.032 1.00 0.00 N ATOM 513 CA LYS A 33 -1.753 7.777 1.240 1.00 0.00 C ATOM 514 C LYS A 33 -3.189 8.258 1.052 1.00 0.00 C ATOM 515 O LYS A 33 -4.026 8.113 1.944 1.00 0.00 O ATOM 516 CB LYS A 33 -0.872 8.966 1.606 1.00 0.00 C ATOM 517 CG LYS A 33 0.525 8.476 1.992 1.00 0.00 C ATOM 518 CD LYS A 33 1.329 9.645 2.564 1.00 0.00 C ATOM 519 CE LYS A 33 2.779 9.212 2.789 1.00 0.00 C ATOM 520 NZ LYS A 33 2.996 8.923 4.235 1.00 0.00 N ATOM 0 H LYS A 33 -0.451 7.613 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.734 7.038 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.806 9.654 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.316 9.518 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.452 7.675 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.032 8.063 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.294 10.492 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.888 9.977 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.001 8.327 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.459 9.997 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.982 8.629 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.800 9.778 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.357 8.160 4.536 1.00 0.00 H new ATOM 534 N ASN A 34 -3.456 8.855 -0.106 1.00 0.00 N ATOM 535 CA ASN A 34 -4.781 9.383 -0.398 1.00 0.00 C ATOM 536 C ASN A 34 -5.841 8.282 -0.420 1.00 0.00 C ATOM 537 O ASN A 34 -6.917 8.435 0.159 1.00 0.00 O ATOM 538 CB ASN A 34 -4.747 10.095 -1.749 1.00 0.00 C ATOM 539 CG ASN A 34 -3.771 11.269 -1.696 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.708 11.979 -0.692 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.000 11.518 -2.723 1.00 0.00 N ATOM 0 H ASN A 34 -2.774 8.984 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.052 10.082 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.447 9.397 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.744 10.452 -2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.346 12.300 -2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.052 10.930 -3.555 1.00 0.00 H new ATOM 548 N ILE A 35 -5.537 7.176 -1.092 1.00 0.00 N ATOM 549 CA ILE A 35 -6.484 6.065 -1.182 1.00 0.00 C ATOM 550 C ILE A 35 -6.664 5.374 0.167 1.00 0.00 C ATOM 551 O ILE A 35 -7.791 5.122 0.596 1.00 0.00 O ATOM 552 CB ILE A 35 -6.004 5.046 -2.210 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.968 5.696 -3.596 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.960 3.852 -2.232 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.287 4.750 -4.586 1.00 0.00 C ATOM 0 H ILE A 35 -4.653 7.024 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.445 6.476 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.004 4.705 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.981 5.921 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.429 6.642 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.616 3.124 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.985 3.388 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.961 4.192 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.261 5.213 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.269 4.547 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.845 3.815 -4.638 1.00 0.00 H new ATOM 567 N LEU A 36 -5.556 5.065 0.834 1.00 0.00 N ATOM 568 CA LEU A 36 -5.634 4.401 2.129 1.00 0.00 C ATOM 569 C LEU A 36 -6.438 5.248 3.100 1.00 0.00 C ATOM 570 O LEU A 36 -7.268 4.736 3.849 1.00 0.00 O ATOM 571 CB LEU A 36 -4.229 4.167 2.690 1.00 0.00 C ATOM 572 CG LEU A 36 -3.485 3.171 1.801 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.055 2.999 2.315 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.205 1.822 1.842 1.00 0.00 C ATOM 0 H LEU A 36 -4.610 5.260 0.506 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.128 3.438 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.682 5.109 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.292 3.785 3.709 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.461 3.543 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.524 2.289 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.542 3.960 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.079 2.625 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.677 1.109 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.226 1.452 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.226 1.943 1.479 1.00 0.00 H new ATOM 586 N ALA A 37 -6.205 6.552 3.065 1.00 0.00 N ATOM 587 CA ALA A 37 -6.933 7.466 3.929 1.00 0.00 C ATOM 588 C ALA A 37 -8.386 7.537 3.483 1.00 0.00 C ATOM 589 O ALA A 37 -9.255 7.999 4.223 1.00 0.00 O ATOM 590 CB ALA A 37 -6.307 8.860 3.876 1.00 0.00 C ATOM 0 H ALA A 37 -5.522 6.997 2.452 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.883 7.100 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.863 9.534 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.270 8.806 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.341 9.235 2.853 1.00 0.00 H new ATOM 596 N ALA A 38 -8.639 7.080 2.258 1.00 0.00 N ATOM 597 CA ALA A 38 -9.989 7.103 1.711 1.00 0.00 C ATOM 598 C ALA A 38 -10.788 5.892 2.182 1.00 0.00 C ATOM 599 O ALA A 38 -12.014 5.863 2.066 1.00 0.00 O ATOM 600 CB ALA A 38 -9.936 7.122 0.183 1.00 0.00 C ATOM 0 H ALA A 38 -7.932 6.693 1.632 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.485 8.006 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.950 7.139 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.399 8.010 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.421 6.231 -0.174 1.00 0.00 H new ATOM 606 N VAL A 39 -10.092 4.895 2.715 1.00 0.00 N ATOM 607 CA VAL A 39 -10.754 3.691 3.201 1.00 0.00 C ATOM 608 C VAL A 39 -11.239 3.898 4.631 1.00 0.00 C ATOM 609 O VAL A 39 -11.942 3.056 5.190 1.00 0.00 O ATOM 610 CB VAL A 39 -9.791 2.501 3.147 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.834 2.550 4.341 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.590 1.197 3.192 1.00 0.00 C ATOM 0 H VAL A 39 -9.078 4.896 2.821 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.612 3.483 2.562 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.215 2.549 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.152 1.701 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.261 3.477 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.406 2.507 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.906 0.349 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.167 1.156 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.267 1.156 2.339 1.00 0.00 H new ATOM 622 N GLU A 40 -10.855 5.029 5.212 1.00 0.00 N ATOM 623 CA GLU A 40 -11.248 5.351 6.579 1.00 0.00 C ATOM 624 C GLU A 40 -11.151 4.112 7.461 1.00 0.00 C ATOM 625 O GLU A 40 -10.073 3.543 7.630 1.00 0.00 O ATOM 626 CB GLU A 40 -12.682 5.881 6.594 1.00 0.00 C ATOM 627 CG GLU A 40 -12.828 6.988 5.547 1.00 0.00 C ATOM 628 CD GLU A 40 -11.859 8.125 5.846 1.00 0.00 C ATOM 629 OE1 GLU A 40 -11.374 8.186 6.964 1.00 0.00 O ATOM 630 OE2 GLU A 40 -11.613 8.919 4.953 1.00 0.00 O ATOM 0 H GLU A 40 -10.274 5.736 4.760 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.575 6.116 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.382 5.072 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.928 6.267 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.633 6.586 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.851 7.364 5.544 1.00 0.00 H new ATOM 637 N ALA A 41 -12.283 3.692 8.015 1.00 0.00 N ATOM 638 CA ALA A 41 -12.308 2.511 8.871 1.00 0.00 C ATOM 639 C ALA A 41 -11.800 2.847 10.269 1.00 0.00 C ATOM 640 O ALA A 41 -11.198 3.898 10.488 1.00 0.00 O ATOM 641 CB ALA A 41 -11.440 1.410 8.259 1.00 0.00 C ATOM 0 H ALA A 41 -13.187 4.146 7.889 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.338 2.163 8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.462 0.530 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.825 1.149 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.414 1.766 8.165 1.00 0.00 H new ATOM 647 N THR A 42 -12.052 1.947 11.215 1.00 0.00 N ATOM 648 CA THR A 42 -11.620 2.152 12.592 1.00 0.00 C ATOM 649 C THR A 42 -10.175 1.698 12.783 1.00 0.00 C ATOM 650 O THR A 42 -9.601 1.864 13.859 1.00 0.00 O ATOM 651 CB THR A 42 -12.531 1.370 13.541 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.350 -0.023 13.328 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.990 1.744 13.274 1.00 0.00 C ATOM 0 H THR A 42 -12.551 1.072 11.053 1.00 0.00 H new ATOM 0 HA THR A 42 -11.682 3.217 12.816 1.00 0.00 H new ATOM 0 HB THR A 42 -12.279 1.616 14.573 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.932 -0.525 13.936 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.638 1.187 13.950 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.128 2.813 13.438 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.245 1.500 12.243 1.00 0.00 H new ATOM 661 N VAL A 43 -9.596 1.117 11.737 1.00 0.00 N ATOM 662 CA VAL A 43 -8.225 0.633 11.804 1.00 0.00 C ATOM 663 C VAL A 43 -7.352 1.304 10.743 1.00 0.00 C ATOM 664 O VAL A 43 -7.095 0.728 9.686 1.00 0.00 O ATOM 665 CB VAL A 43 -8.214 -0.878 11.583 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.588 -1.590 12.884 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.228 -1.241 10.497 1.00 0.00 C ATOM 0 H VAL A 43 -10.054 0.971 10.837 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.821 0.875 12.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.217 -1.190 11.272 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.580 -2.668 12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.867 -1.333 13.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.584 -1.277 13.196 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.221 -2.319 10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.224 -0.927 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.963 -0.736 9.568 1.00 0.00 H new ATOM 677 N PRO A 44 -6.897 2.505 11.001 1.00 0.00 N ATOM 678 CA PRO A 44 -6.038 3.249 10.040 1.00 0.00 C ATOM 679 C PRO A 44 -4.767 2.477 9.695 1.00 0.00 C ATOM 680 O PRO A 44 -4.313 1.635 10.470 1.00 0.00 O ATOM 681 CB PRO A 44 -5.696 4.570 10.737 1.00 0.00 C ATOM 682 CG PRO A 44 -6.358 4.562 12.080 1.00 0.00 C ATOM 683 CD PRO A 44 -7.154 3.263 12.232 1.00 0.00 C ATOM 0 HA PRO A 44 -6.556 3.404 9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.617 4.678 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.044 5.416 10.144 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.610 4.641 12.869 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.019 5.423 12.180 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.833 2.705 13.112 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.218 3.466 12.354 1.00 0.00 H new ATOM 691 N ILE A 45 -4.201 2.765 8.527 1.00 0.00 N ATOM 692 CA ILE A 45 -2.985 2.084 8.091 1.00 0.00 C ATOM 693 C ILE A 45 -1.763 2.984 8.242 1.00 0.00 C ATOM 694 O ILE A 45 -1.831 4.189 7.998 1.00 0.00 O ATOM 695 CB ILE A 45 -3.108 1.669 6.626 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.384 0.848 6.428 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.889 0.826 6.236 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.513 1.763 5.951 1.00 0.00 C ATOM 0 H ILE A 45 -4.560 3.458 7.870 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.859 1.203 8.721 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.154 2.559 5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.210 0.057 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.665 0.363 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.972 0.527 5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.981 1.413 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.845 -0.063 6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.421 1.177 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.693 2.538 6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.231 2.227 5.006 1.00 0.00 H new ATOM 710 N SER A 46 -0.638 2.383 8.620 1.00 0.00 N ATOM 711 CA SER A 46 0.602 3.132 8.774 1.00 0.00 C ATOM 712 C SER A 46 1.478 2.913 7.546 1.00 0.00 C ATOM 713 O SER A 46 1.675 1.779 7.110 1.00 0.00 O ATOM 714 CB SER A 46 1.348 2.668 10.025 1.00 0.00 C ATOM 715 OG SER A 46 2.574 3.379 10.131 1.00 0.00 O ATOM 0 H SER A 46 -0.561 1.387 8.824 1.00 0.00 H new ATOM 0 HA SER A 46 0.369 4.192 8.877 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.737 2.839 10.911 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.539 1.596 9.972 1.00 0.00 H new ATOM 0 HG SER A 46 3.054 3.085 10.933 1.00 0.00 H new ATOM 721 N LEU A 47 1.986 4.001 6.978 1.00 0.00 N ATOM 722 CA LEU A 47 2.819 3.897 5.787 1.00 0.00 C ATOM 723 C LEU A 47 4.280 4.201 6.103 1.00 0.00 C ATOM 724 O LEU A 47 4.598 5.226 6.706 1.00 0.00 O ATOM 725 CB LEU A 47 2.316 4.868 4.716 1.00 0.00 C ATOM 726 CG LEU A 47 2.475 4.241 3.327 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.233 5.306 2.259 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.890 3.680 3.166 1.00 0.00 C ATOM 0 H LEU A 47 1.839 4.952 7.317 1.00 0.00 H new ATOM 0 HA LEU A 47 2.754 2.873 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.269 5.112 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.875 5.802 4.769 1.00 0.00 H new ATOM 0 HG LEU A 47 1.752 3.433 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.346 4.862 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.224 5.705 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.956 6.113 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.995 3.236 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.616 4.485 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.068 2.919 3.926 1.00 0.00 H new ATOM 740 N GLN A 48 5.163 3.313 5.664 1.00 0.00 N ATOM 741 CA GLN A 48 6.594 3.490 5.872 1.00 0.00 C ATOM 742 C GLN A 48 7.326 3.307 4.546 1.00 0.00 C ATOM 743 O GLN A 48 7.101 2.330 3.833 1.00 0.00 O ATOM 744 CB GLN A 48 7.107 2.478 6.897 1.00 0.00 C ATOM 745 CG GLN A 48 7.316 3.171 8.245 1.00 0.00 C ATOM 746 CD GLN A 48 7.978 2.211 9.229 1.00 0.00 C ATOM 747 OE1 GLN A 48 8.391 2.619 10.314 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.102 0.951 8.913 1.00 0.00 N ATOM 0 H GLN A 48 4.913 2.462 5.161 1.00 0.00 H new ATOM 0 HA GLN A 48 6.780 4.495 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.394 1.661 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.044 2.040 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.937 4.057 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.359 3.508 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.759 0.615 8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.542 0.302 9.566 1.00 0.00 H new ATOM 757 N VAL A 49 8.188 4.259 4.210 1.00 0.00 N ATOM 758 CA VAL A 49 8.928 4.191 2.954 1.00 0.00 C ATOM 759 C VAL A 49 10.342 3.681 3.172 1.00 0.00 C ATOM 760 O VAL A 49 11.039 4.121 4.087 1.00 0.00 O ATOM 761 CB VAL A 49 9.003 5.571 2.300 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.504 5.425 0.861 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.618 6.219 2.300 1.00 0.00 C ATOM 0 H VAL A 49 8.391 5.079 4.782 1.00 0.00 H new ATOM 0 HA VAL A 49 8.394 3.499 2.303 1.00 0.00 H new ATOM 0 HB VAL A 49 9.692 6.201 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.558 6.408 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.494 4.970 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.817 4.793 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.676 7.202 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.923 5.592 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.266 6.325 3.326 1.00 0.00 H new ATOM 773 N ILE A 50 10.766 2.769 2.311 1.00 0.00 N ATOM 774 CA ILE A 50 12.105 2.224 2.398 1.00 0.00 C ATOM 775 C ILE A 50 12.877 2.602 1.143 1.00 0.00 C ATOM 776 O ILE A 50 12.438 2.319 0.029 1.00 0.00 O ATOM 777 CB ILE A 50 12.038 0.704 2.525 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.044 0.349 3.633 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.425 0.163 2.879 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.965 -1.171 3.800 1.00 0.00 C ATOM 0 H ILE A 50 10.202 2.394 1.548 1.00 0.00 H new ATOM 0 HA ILE A 50 12.609 2.630 3.275 1.00 0.00 H new ATOM 0 HB ILE A 50 11.713 0.261 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.353 0.810 4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.059 0.748 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.380 -0.922 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.132 0.432 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.753 0.593 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.255 -1.414 4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.635 -1.623 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.949 -1.560 4.064 1.00 0.00 H new ATOM 792 N ASN A 51 14.020 3.250 1.320 1.00 0.00 N ATOM 793 CA ASN A 51 14.815 3.661 0.179 1.00 0.00 C ATOM 794 C ASN A 51 15.719 2.520 -0.271 1.00 0.00 C ATOM 795 O ASN A 51 16.701 2.199 0.396 1.00 0.00 O ATOM 796 CB ASN A 51 15.667 4.871 0.553 1.00 0.00 C ATOM 797 CG ASN A 51 14.775 6.080 0.814 1.00 0.00 C ATOM 798 OD1 ASN A 51 13.592 6.063 0.473 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.274 7.134 1.397 1.00 0.00 N ATOM 0 H ASN A 51 14.410 3.498 2.229 1.00 0.00 H new ATOM 0 HA ASN A 51 14.145 3.927 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.259 4.648 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.369 5.094 -0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.684 7.947 1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.254 7.145 1.678 1.00 0.00 H new ATOM 806 N VAL A 52 15.389 1.913 -1.407 1.00 0.00 N ATOM 807 CA VAL A 52 16.189 0.809 -1.920 1.00 0.00 C ATOM 808 C VAL A 52 17.648 1.234 -2.037 1.00 0.00 C ATOM 809 O VAL A 52 18.552 0.400 -2.056 1.00 0.00 O ATOM 810 CB VAL A 52 15.669 0.373 -3.291 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.184 0.024 -3.184 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.856 1.514 -4.296 1.00 0.00 C ATOM 0 H VAL A 52 14.585 2.163 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 52 16.113 -0.029 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 52 16.224 -0.502 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.812 -0.287 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.052 -0.789 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.628 0.898 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.485 1.203 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.301 2.390 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.915 1.762 -4.372 1.00 0.00 H new ATOM 822 N ALA A 53 17.862 2.541 -2.105 1.00 0.00 N ATOM 823 CA ALA A 53 19.204 3.086 -2.209 1.00 0.00 C ATOM 824 C ALA A 53 19.927 2.985 -0.871 1.00 0.00 C ATOM 825 O ALA A 53 21.155 3.056 -0.815 1.00 0.00 O ATOM 826 CB ALA A 53 19.132 4.554 -2.639 1.00 0.00 C ATOM 0 H ALA A 53 17.121 3.242 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 53 19.756 2.511 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.140 4.960 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.637 4.626 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.567 5.122 -1.900 1.00 0.00 H new ATOM 832 N ASP A 54 19.160 2.842 0.208 1.00 0.00 N ATOM 833 CA ASP A 54 19.749 2.759 1.534 1.00 0.00 C ATOM 834 C ASP A 54 19.886 1.314 2.002 1.00 0.00 C ATOM 835 O ASP A 54 20.869 0.958 2.653 1.00 0.00 O ATOM 836 CB ASP A 54 18.883 3.535 2.529 1.00 0.00 C ATOM 837 CG ASP A 54 18.907 5.021 2.192 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.742 5.415 1.395 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.088 5.744 2.736 1.00 0.00 O ATOM 0 H ASP A 54 18.142 2.782 0.187 1.00 0.00 H new ATOM 0 HA ASP A 54 20.747 3.193 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.859 3.163 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.250 3.378 3.543 1.00 0.00 H new ATOM 844 N GLN A 55 18.893 0.489 1.688 1.00 0.00 N ATOM 845 CA GLN A 55 18.926 -0.904 2.114 1.00 0.00 C ATOM 846 C GLN A 55 18.432 -1.847 1.016 1.00 0.00 C ATOM 847 O GLN A 55 17.328 -2.382 1.082 1.00 0.00 O ATOM 848 CB GLN A 55 18.087 -1.070 3.386 1.00 0.00 C ATOM 849 CG GLN A 55 16.603 -0.813 3.096 1.00 0.00 C ATOM 850 CD GLN A 55 16.450 0.288 2.058 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.700 0.061 0.876 1.00 0.00 O ATOM 852 NE2 GLN A 55 16.055 1.475 2.432 1.00 0.00 N ATOM 0 H GLN A 55 18.069 0.755 1.149 1.00 0.00 H new ATOM 0 HA GLN A 55 19.962 -1.172 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.216 -2.077 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.438 -0.378 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.132 -1.728 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.090 -0.529 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.849 1.658 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.953 2.219 1.742 1.00 0.00 H new ATOM 861 N PRO A 56 19.244 -2.072 0.022 1.00 0.00 N ATOM 862 CA PRO A 56 18.910 -2.983 -1.106 1.00 0.00 C ATOM 863 C PRO A 56 18.986 -4.447 -0.681 1.00 0.00 C ATOM 864 O PRO A 56 18.615 -5.351 -1.435 1.00 0.00 O ATOM 865 CB PRO A 56 19.963 -2.674 -2.178 1.00 0.00 C ATOM 866 CG PRO A 56 20.850 -1.596 -1.629 1.00 0.00 C ATOM 867 CD PRO A 56 20.574 -1.485 -0.131 1.00 0.00 C ATOM 0 HA PRO A 56 17.892 -2.829 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.543 -3.566 -2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.487 -2.347 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.898 -1.835 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.650 -0.647 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.319 -2.024 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.595 -0.448 0.204 1.00 0.00 H new ATOM 875 N GLN A 57 19.490 -4.667 0.528 1.00 0.00 N ATOM 876 CA GLN A 57 19.651 -6.017 1.054 1.00 0.00 C ATOM 877 C GLN A 57 18.313 -6.679 1.369 1.00 0.00 C ATOM 878 O GLN A 57 18.066 -7.807 0.940 1.00 0.00 O ATOM 879 CB GLN A 57 20.498 -5.970 2.326 1.00 0.00 C ATOM 880 CG GLN A 57 20.395 -7.308 3.058 1.00 0.00 C ATOM 881 CD GLN A 57 21.351 -7.330 4.245 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.546 -7.079 4.086 1.00 0.00 O ATOM 883 NE2 GLN A 57 20.895 -7.615 5.435 1.00 0.00 N ATOM 0 H GLN A 57 19.794 -3.928 1.162 1.00 0.00 H new ATOM 0 HA GLN A 57 20.143 -6.611 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.538 -5.760 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.156 -5.162 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.373 -7.466 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.632 -8.124 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.905 -7.823 5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.529 -7.630 6.234 1.00 0.00 H new ATOM 892 N LEU A 58 17.449 -5.997 2.109 1.00 0.00 N ATOM 893 CA LEU A 58 16.163 -6.581 2.442 1.00 0.00 C ATOM 894 C LEU A 58 15.256 -6.581 1.219 1.00 0.00 C ATOM 895 O LEU A 58 14.336 -7.393 1.118 1.00 0.00 O ATOM 896 CB LEU A 58 15.508 -5.846 3.610 1.00 0.00 C ATOM 897 CG LEU A 58 15.604 -4.336 3.415 1.00 0.00 C ATOM 898 CD1 LEU A 58 14.210 -3.792 3.132 1.00 0.00 C ATOM 899 CD2 LEU A 58 16.154 -3.693 4.691 1.00 0.00 C ATOM 0 H LEU A 58 17.611 -5.061 2.481 1.00 0.00 H new ATOM 0 HA LEU A 58 16.324 -7.613 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.462 -6.142 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.994 -6.129 4.544 1.00 0.00 H new ATOM 0 HG LEU A 58 16.269 -4.108 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.263 -2.713 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.814 -4.258 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.554 -4.016 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.223 -2.614 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.487 -3.911 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.144 -4.096 4.904 1.00 0.00 H new ATOM 911 N VAL A 59 15.539 -5.688 0.272 1.00 0.00 N ATOM 912 CA VAL A 59 14.757 -5.631 -0.955 1.00 0.00 C ATOM 913 C VAL A 59 14.894 -6.972 -1.667 1.00 0.00 C ATOM 914 O VAL A 59 13.908 -7.557 -2.117 1.00 0.00 O ATOM 915 CB VAL A 59 15.273 -4.499 -1.849 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.388 -4.379 -3.088 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.231 -3.180 -1.075 1.00 0.00 C ATOM 0 H VAL A 59 16.294 -5.004 0.331 1.00 0.00 H new ATOM 0 HA VAL A 59 13.709 -5.435 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 59 16.297 -4.718 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.757 -3.573 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.410 -5.317 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.364 -4.161 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.598 -2.374 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.205 -2.967 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.860 -3.258 -0.188 1.00 0.00 H new ATOM 927 N GLU A 60 16.124 -7.477 -1.726 1.00 0.00 N ATOM 928 CA GLU A 60 16.375 -8.775 -2.344 1.00 0.00 C ATOM 929 C GLU A 60 15.765 -9.883 -1.492 1.00 0.00 C ATOM 930 O GLU A 60 15.285 -10.889 -2.014 1.00 0.00 O ATOM 931 CB GLU A 60 17.881 -9.010 -2.477 1.00 0.00 C ATOM 932 CG GLU A 60 18.484 -7.976 -3.428 1.00 0.00 C ATOM 933 CD GLU A 60 19.981 -8.229 -3.585 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.497 -9.067 -2.865 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.587 -7.581 -4.421 1.00 0.00 O ATOM 0 H GLU A 60 16.954 -7.013 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 60 15.919 -8.785 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.357 -8.940 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.070 -10.016 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.993 -8.032 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.314 -6.971 -3.042 1.00 0.00 H new ATOM 942 N TYR A 61 15.785 -9.686 -0.175 1.00 0.00 N ATOM 943 CA TYR A 61 15.227 -10.675 0.742 1.00 0.00 C ATOM 944 C TYR A 61 13.780 -10.963 0.372 1.00 0.00 C ATOM 945 O TYR A 61 13.345 -12.115 0.361 1.00 0.00 O ATOM 946 CB TYR A 61 15.301 -10.160 2.181 1.00 0.00 C ATOM 947 CG TYR A 61 14.830 -11.238 3.128 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.702 -12.264 3.508 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.521 -11.211 3.624 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.266 -13.263 4.388 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.086 -12.211 4.503 1.00 0.00 C ATOM 952 CZ TYR A 61 13.959 -13.237 4.884 1.00 0.00 C ATOM 953 OH TYR A 61 13.529 -14.222 5.750 1.00 0.00 O ATOM 0 H TYR A 61 16.177 -8.860 0.276 1.00 0.00 H new ATOM 0 HA TYR A 61 15.807 -11.594 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.324 -9.871 2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.683 -9.269 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.711 -12.286 3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.847 -10.420 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.940 -14.054 4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.077 -12.191 4.887 1.00 0.00 H new ATOM 0 HH TYR A 61 12.596 -14.054 6.000 1.00 0.00 H new ATOM 963 N TYR A 62 13.049 -9.906 0.046 1.00 0.00 N ATOM 964 CA TYR A 62 11.660 -10.040 -0.354 1.00 0.00 C ATOM 965 C TYR A 62 11.598 -10.392 -1.830 1.00 0.00 C ATOM 966 O TYR A 62 10.548 -10.286 -2.463 1.00 0.00 O ATOM 967 CB TYR A 62 10.929 -8.719 -0.121 1.00 0.00 C ATOM 968 CG TYR A 62 10.861 -8.416 1.352 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.163 -9.269 2.213 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.492 -7.274 1.857 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.098 -8.980 3.580 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.427 -6.984 3.222 1.00 0.00 C ATOM 973 CZ TYR A 62 10.730 -7.837 4.085 1.00 0.00 C ATOM 974 OH TYR A 62 10.664 -7.551 5.434 1.00 0.00 O ATOM 0 H TYR A 62 13.397 -8.947 0.051 1.00 0.00 H new ATOM 0 HA TYR A 62 11.186 -10.825 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.445 -7.913 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.922 -8.774 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.675 -10.150 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.030 -6.616 1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.560 -9.638 4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.914 -6.102 3.611 1.00 0.00 H new ATOM 0 HH TYR A 62 11.156 -6.724 5.617 1.00 0.00 H new ATOM 984 N ARG A 63 12.745 -10.781 -2.379 1.00 0.00 N ATOM 985 CA ARG A 63 12.822 -11.114 -3.789 1.00 0.00 C ATOM 986 C ARG A 63 12.425 -9.888 -4.596 1.00 0.00 C ATOM 987 O ARG A 63 12.340 -9.924 -5.822 1.00 0.00 O ATOM 988 CB ARG A 63 11.889 -12.283 -4.101 1.00 0.00 C ATOM 989 CG ARG A 63 12.271 -13.488 -3.234 1.00 0.00 C ATOM 990 CD ARG A 63 13.440 -14.240 -3.877 1.00 0.00 C ATOM 991 NE ARG A 63 12.967 -15.034 -5.005 1.00 0.00 N ATOM 992 CZ ARG A 63 13.533 -14.936 -6.203 1.00 0.00 C ATOM 993 NH1 ARG A 63 14.739 -15.396 -6.394 1.00 0.00 N ATOM 994 NH2 ARG A 63 12.883 -14.386 -7.191 1.00 0.00 N ATOM 0 H ARG A 63 13.624 -10.871 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 63 13.838 -11.411 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.855 -11.997 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.958 -12.545 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.547 -13.155 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.415 -14.154 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.197 -13.532 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.915 -14.888 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 63 12.187 -15.677 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.247 -15.831 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.174 -15.321 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.938 -14.030 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.319 -14.312 -8.110 1.00 0.00 H new ATOM 1008 N LEU A 64 12.196 -8.802 -3.868 1.00 0.00 N ATOM 1009 CA LEU A 64 11.819 -7.530 -4.464 1.00 0.00 C ATOM 1010 C LEU A 64 12.953 -7.026 -5.354 1.00 0.00 C ATOM 1011 O LEU A 64 14.111 -7.006 -4.940 1.00 0.00 O ATOM 1012 CB LEU A 64 11.550 -6.530 -3.333 1.00 0.00 C ATOM 1013 CG LEU A 64 10.708 -5.360 -3.821 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.477 -4.593 -4.889 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.391 -5.878 -4.395 1.00 0.00 C ATOM 0 H LEU A 64 12.267 -8.780 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 64 10.924 -7.646 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.037 -7.033 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.496 -6.161 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 64 10.492 -4.693 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.875 -3.755 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.410 -4.219 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.697 -5.256 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.790 -5.038 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.596 -6.548 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.845 -6.418 -3.622 1.00 0.00 H new ATOM 1027 N VAL A 65 12.626 -6.636 -6.580 1.00 0.00 N ATOM 1028 CA VAL A 65 13.650 -6.151 -7.502 1.00 0.00 C ATOM 1029 C VAL A 65 13.123 -5.031 -8.400 1.00 0.00 C ATOM 1030 O VAL A 65 13.897 -4.395 -9.116 1.00 0.00 O ATOM 1031 CB VAL A 65 14.161 -7.298 -8.374 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.666 -7.141 -8.594 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.886 -8.630 -7.677 1.00 0.00 C ATOM 0 H VAL A 65 11.678 -6.644 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 65 14.465 -5.750 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 65 13.649 -7.278 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.030 -7.959 -9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.864 -6.191 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.178 -7.161 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.250 -9.448 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.398 -8.650 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.813 -8.744 -7.520 1.00 0.00 H new ATOM 1043 N VAL A 66 11.816 -4.784 -8.365 1.00 0.00 N ATOM 1044 CA VAL A 66 11.239 -3.735 -9.185 1.00 0.00 C ATOM 1045 C VAL A 66 10.802 -2.562 -8.323 1.00 0.00 C ATOM 1046 O VAL A 66 10.284 -2.746 -7.221 1.00 0.00 O ATOM 1047 CB VAL A 66 10.036 -4.268 -9.960 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.490 -5.325 -10.966 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.026 -4.888 -8.995 1.00 0.00 C ATOM 0 H VAL A 66 11.148 -5.291 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 66 12.001 -3.398 -9.887 1.00 0.00 H new ATOM 0 HB VAL A 66 9.567 -3.440 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.626 -5.700 -11.515 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.199 -4.881 -11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.969 -6.149 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.171 -5.266 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.496 -5.709 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.689 -4.132 -8.286 1.00 0.00 H new ATOM 1059 N THR A 67 11.007 -1.357 -8.833 1.00 0.00 N ATOM 1060 CA THR A 67 10.623 -0.161 -8.103 1.00 0.00 C ATOM 1061 C THR A 67 9.941 0.832 -9.044 1.00 0.00 C ATOM 1062 O THR A 67 10.268 0.894 -10.229 1.00 0.00 O ATOM 1063 CB THR A 67 11.855 0.478 -7.461 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.866 0.650 -8.445 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.372 -0.436 -6.346 1.00 0.00 C ATOM 0 H THR A 67 11.434 -1.183 -9.743 1.00 0.00 H new ATOM 0 HA THR A 67 9.920 -0.436 -7.316 1.00 0.00 H new ATOM 0 HB THR A 67 11.591 1.449 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.655 1.061 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.251 0.014 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.594 -0.568 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.639 -1.406 -6.765 1.00 0.00 H new ATOM 1073 N PRO A 68 8.998 1.595 -8.552 1.00 0.00 N ATOM 1074 CA PRO A 68 8.570 1.553 -7.128 1.00 0.00 C ATOM 1075 C PRO A 68 7.756 0.303 -6.812 1.00 0.00 C ATOM 1076 O PRO A 68 7.160 -0.301 -7.704 1.00 0.00 O ATOM 1077 CB PRO A 68 7.717 2.816 -6.939 1.00 0.00 C ATOM 1078 CG PRO A 68 7.689 3.531 -8.256 1.00 0.00 C ATOM 1079 CD PRO A 68 8.230 2.576 -9.317 1.00 0.00 C ATOM 0 HA PRO A 68 9.428 1.520 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.708 2.555 -6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.140 3.454 -6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.673 3.839 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.295 4.436 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.423 2.103 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.857 3.097 -10.041 1.00 0.00 H new ATOM 1087 N ALA A 69 7.742 -0.080 -5.544 1.00 0.00 N ATOM 1088 CA ALA A 69 7.006 -1.264 -5.128 1.00 0.00 C ATOM 1089 C ALA A 69 6.455 -1.079 -3.718 1.00 0.00 C ATOM 1090 O ALA A 69 7.091 -0.457 -2.869 1.00 0.00 O ATOM 1091 CB ALA A 69 7.926 -2.486 -5.158 1.00 0.00 C ATOM 0 H ALA A 69 8.228 0.407 -4.791 1.00 0.00 H new ATOM 0 HA ALA A 69 6.175 -1.416 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.368 -3.369 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.302 -2.634 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.764 -2.327 -4.480 1.00 0.00 H new ATOM 1097 N LEU A 70 5.268 -1.625 -3.479 1.00 0.00 N ATOM 1098 CA LEU A 70 4.635 -1.515 -2.171 1.00 0.00 C ATOM 1099 C LEU A 70 4.415 -2.905 -1.576 1.00 0.00 C ATOM 1100 O LEU A 70 3.986 -3.823 -2.276 1.00 0.00 O ATOM 1101 CB LEU A 70 3.305 -0.777 -2.311 1.00 0.00 C ATOM 1102 CG LEU A 70 2.823 -0.315 -0.938 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.736 0.747 -1.117 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.254 -1.503 -0.163 1.00 0.00 C ATOM 0 H LEU A 70 4.727 -2.145 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 70 5.284 -0.953 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.423 0.081 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.562 -1.431 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 70 3.660 0.106 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.388 1.080 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.144 1.596 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.901 0.322 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.911 -1.168 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.416 -1.929 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.028 -2.260 -0.037 1.00 0.00 H new ATOM 1116 N VAL A 71 4.733 -3.069 -0.291 1.00 0.00 N ATOM 1117 CA VAL A 71 4.581 -4.374 0.347 1.00 0.00 C ATOM 1118 C VAL A 71 3.840 -4.290 1.680 1.00 0.00 C ATOM 1119 O VAL A 71 4.205 -3.517 2.565 1.00 0.00 O ATOM 1120 CB VAL A 71 5.962 -4.993 0.576 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.807 -6.426 1.092 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.744 -5.008 -0.744 1.00 0.00 C ATOM 0 H VAL A 71 5.090 -2.331 0.316 1.00 0.00 H new ATOM 0 HA VAL A 71 3.986 -4.996 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 71 6.503 -4.400 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.792 -6.863 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.255 -6.417 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.263 -7.020 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.727 -5.449 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.201 -5.598 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.861 -3.988 -1.109 1.00 0.00 H new ATOM 1132 N LYS A 72 2.816 -5.133 1.820 1.00 0.00 N ATOM 1133 CA LYS A 72 2.039 -5.199 3.054 1.00 0.00 C ATOM 1134 C LYS A 72 2.614 -6.291 3.948 1.00 0.00 C ATOM 1135 O LYS A 72 2.834 -7.414 3.496 1.00 0.00 O ATOM 1136 CB LYS A 72 0.571 -5.506 2.739 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.267 -5.340 4.009 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.627 -6.718 4.571 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.918 -7.216 3.921 1.00 0.00 C ATOM 1140 NZ LYS A 72 -1.981 -8.702 4.013 1.00 0.00 N ATOM 0 H LYS A 72 2.507 -5.779 1.093 1.00 0.00 H new ATOM 0 HA LYS A 72 2.092 -4.238 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.207 -4.836 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.474 -6.522 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.289 -4.767 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.174 -4.778 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.183 -7.422 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.751 -6.660 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.782 -6.774 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.956 -6.904 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.733 -9.057 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.069 -9.107 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.185 -8.981 4.994 1.00 0.00 H new ATOM 1154 N ILE A 73 2.872 -5.964 5.210 1.00 0.00 N ATOM 1155 CA ILE A 73 3.437 -6.953 6.120 1.00 0.00 C ATOM 1156 C ILE A 73 2.367 -7.545 7.032 1.00 0.00 C ATOM 1157 O ILE A 73 2.517 -8.666 7.517 1.00 0.00 O ATOM 1158 CB ILE A 73 4.553 -6.329 6.959 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.275 -4.837 7.150 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.892 -6.514 6.244 1.00 0.00 C ATOM 1161 CD1 ILE A 73 4.862 -4.044 5.980 1.00 0.00 C ATOM 0 H ILE A 73 2.704 -5.045 5.619 1.00 0.00 H new ATOM 0 HA ILE A 73 3.852 -7.760 5.516 1.00 0.00 H new ATOM 0 HB ILE A 73 4.592 -6.817 7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.201 -4.664 7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.711 -4.494 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.688 -6.069 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.089 -7.578 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.855 -6.027 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.660 -2.982 6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.939 -4.206 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.405 -4.378 5.048 1.00 0.00 H new ATOM 1173 N GLY A 74 1.280 -6.809 7.255 1.00 0.00 N ATOM 1174 CA GLY A 74 0.212 -7.327 8.103 1.00 0.00 C ATOM 1175 C GLY A 74 -0.526 -6.215 8.844 1.00 0.00 C ATOM 1176 O GLY A 74 -0.357 -5.033 8.542 1.00 0.00 O ATOM 0 H GLY A 74 1.118 -5.878 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.496 -7.886 7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.631 -8.027 8.826 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.346 -6.581 9.799 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.560 -8.007 10.172 1.00 0.00 C ATOM 1182 C PRO A 75 -2.104 -8.827 9.008 1.00 0.00 C ATOM 1183 O PRO A 75 -2.624 -8.275 8.038 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.559 -7.981 11.333 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.896 -6.549 11.611 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.154 -5.664 10.608 1.00 0.00 C ATOM 0 HA PRO A 75 -0.619 -8.482 10.451 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.457 -8.543 11.077 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.130 -8.452 12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.972 -6.392 11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.612 -6.285 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.853 -5.104 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.526 -4.934 11.118 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.968 -10.144 9.105 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.437 -11.030 8.048 1.00 0.00 C ATOM 1196 C GLY A 76 -1.275 -11.493 7.177 1.00 0.00 C ATOM 1197 O GLY A 76 -0.112 -11.270 7.510 1.00 0.00 O ATOM 0 H GLY A 76 -1.540 -10.619 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.936 -11.894 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.175 -10.513 7.434 1.00 0.00 H new ATOM 1201 N SER A 77 -1.595 -12.147 6.065 1.00 0.00 N ATOM 1202 CA SER A 77 -0.563 -12.645 5.159 1.00 0.00 C ATOM 1203 C SER A 77 0.201 -11.499 4.510 1.00 0.00 C ATOM 1204 O SER A 77 -0.279 -10.367 4.450 1.00 0.00 O ATOM 1205 CB SER A 77 -1.190 -13.511 4.069 1.00 0.00 C ATOM 1206 OG SER A 77 -0.294 -13.598 2.969 1.00 0.00 O ATOM 0 H SER A 77 -2.551 -12.344 5.770 1.00 0.00 H new ATOM 0 HA SER A 77 0.134 -13.241 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.406 -14.506 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.139 -13.082 3.748 1.00 0.00 H new ATOM 0 HG SER A 77 -0.691 -14.154 2.267 1.00 0.00 H new ATOM 1212 N ARG A 78 1.396 -11.812 4.022 1.00 0.00 N ATOM 1213 CA ARG A 78 2.235 -10.811 3.369 1.00 0.00 C ATOM 1214 C ARG A 78 1.966 -10.788 1.867 1.00 0.00 C ATOM 1215 O ARG A 78 1.762 -11.832 1.248 1.00 0.00 O ATOM 1216 CB ARG A 78 3.715 -11.125 3.607 1.00 0.00 C ATOM 1217 CG ARG A 78 4.567 -9.937 3.154 1.00 0.00 C ATOM 1218 CD ARG A 78 6.047 -10.331 3.149 1.00 0.00 C ATOM 1219 NE ARG A 78 6.448 -10.833 4.459 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.539 -11.579 4.603 1.00 0.00 C ATOM 1221 NH1 ARG A 78 8.002 -12.259 3.590 1.00 0.00 N ATOM 1222 NH2 ARG A 78 8.150 -11.629 5.756 1.00 0.00 N ATOM 0 H ARG A 78 1.805 -12.745 4.065 1.00 0.00 H new ATOM 0 HA ARG A 78 1.995 -9.836 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.889 -11.330 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.001 -12.022 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.263 -9.619 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.409 -9.089 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.223 -11.094 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.658 -9.469 2.881 1.00 0.00 H new ATOM 0 HE ARG A 78 5.882 -10.608 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.527 -12.218 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.839 -12.831 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.790 -11.095 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.987 -12.202 5.865 1.00 0.00 H new ATOM 1236 N GLN A 79 1.981 -9.595 1.286 1.00 0.00 N ATOM 1237 CA GLN A 79 1.750 -9.451 -0.147 1.00 0.00 C ATOM 1238 C GLN A 79 2.648 -8.358 -0.713 1.00 0.00 C ATOM 1239 O GLN A 79 2.999 -7.409 -0.012 1.00 0.00 O ATOM 1240 CB GLN A 79 0.285 -9.099 -0.414 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.616 -10.218 0.112 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.071 -9.931 -0.245 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.497 -10.192 -1.370 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.861 -9.403 0.648 1.00 0.00 N ATOM 0 H GLN A 79 2.149 -8.719 1.780 1.00 0.00 H new ATOM 0 HA GLN A 79 1.984 -10.398 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.033 -8.157 0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.123 -8.960 -1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.310 -11.173 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.509 -10.304 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.506 -9.188 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.834 -9.205 0.415 1.00 0.00 H new ATOM 1253 N VAL A 80 3.022 -8.494 -1.980 1.00 0.00 N ATOM 1254 CA VAL A 80 3.884 -7.501 -2.608 1.00 0.00 C ATOM 1255 C VAL A 80 3.212 -6.881 -3.828 1.00 0.00 C ATOM 1256 O VAL A 80 2.793 -7.585 -4.747 1.00 0.00 O ATOM 1257 CB VAL A 80 5.202 -8.150 -3.031 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.154 -7.076 -3.561 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.836 -8.850 -1.824 1.00 0.00 C ATOM 0 H VAL A 80 2.747 -9.269 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 80 4.076 -6.713 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 80 5.012 -8.882 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.094 -7.539 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.702 -6.581 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.346 -6.342 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.776 -9.313 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.026 -8.119 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.157 -9.616 -1.450 1.00 0.00 H new ATOM 1269 N LEU A 81 3.131 -5.555 -3.832 1.00 0.00 N ATOM 1270 CA LEU A 81 2.531 -4.834 -4.945 1.00 0.00 C ATOM 1271 C LEU A 81 3.602 -3.994 -5.633 1.00 0.00 C ATOM 1272 O LEU A 81 4.319 -3.245 -4.973 1.00 0.00 O ATOM 1273 CB LEU A 81 1.422 -3.917 -4.430 1.00 0.00 C ATOM 1274 CG LEU A 81 0.573 -4.651 -3.390 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.440 -3.675 -2.785 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.180 -5.806 -4.049 1.00 0.00 C ATOM 0 H LEU A 81 3.473 -4.960 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 81 2.108 -5.547 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.857 -3.020 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.794 -3.592 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 81 1.226 -5.044 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.047 -4.194 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.090 -2.850 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.085 -3.285 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.781 -6.322 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.831 -5.416 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.534 -6.504 -4.485 1.00 0.00 H new ATOM 1288 N SER A 82 3.718 -4.113 -6.949 1.00 0.00 N ATOM 1289 CA SER A 82 4.723 -3.339 -7.669 1.00 0.00 C ATOM 1290 C SER A 82 4.346 -3.153 -9.128 1.00 0.00 C ATOM 1291 O SER A 82 3.382 -3.740 -9.622 1.00 0.00 O ATOM 1292 CB SER A 82 6.086 -4.023 -7.588 1.00 0.00 C ATOM 1293 OG SER A 82 7.013 -3.305 -8.390 1.00 0.00 O ATOM 0 H SER A 82 3.143 -4.723 -7.530 1.00 0.00 H new ATOM 0 HA SER A 82 4.774 -2.359 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.430 -4.056 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.010 -5.054 -7.932 1.00 0.00 H new ATOM 0 HG SER A 82 7.119 -2.398 -8.035 1.00 0.00 H new ATOM 1299 N GLY A 83 5.126 -2.326 -9.809 1.00 0.00 N ATOM 1300 CA GLY A 83 4.890 -2.050 -11.219 1.00 0.00 C ATOM 1301 C GLY A 83 3.946 -0.864 -11.389 1.00 0.00 C ATOM 1302 O GLY A 83 2.959 -0.943 -12.121 1.00 0.00 O ATOM 0 H GLY A 83 5.926 -1.835 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.837 -1.841 -11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.465 -2.931 -11.700 1.00 0.00 H new ATOM 1306 N ILE A 84 4.256 0.228 -10.699 1.00 0.00 N ATOM 1307 CA ILE A 84 3.439 1.441 -10.756 1.00 0.00 C ATOM 1308 C ILE A 84 1.947 1.119 -10.702 1.00 0.00 C ATOM 1309 O ILE A 84 1.108 2.009 -10.841 1.00 0.00 O ATOM 1310 CB ILE A 84 3.758 2.232 -12.028 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.229 1.488 -13.258 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.271 2.392 -12.151 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.351 2.390 -14.487 1.00 0.00 C ATOM 0 H ILE A 84 5.071 0.301 -10.090 1.00 0.00 H new ATOM 0 HA ILE A 84 3.682 2.045 -9.882 1.00 0.00 H new ATOM 0 HB ILE A 84 3.281 3.210 -11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.793 0.568 -13.411 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.188 1.202 -13.104 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.505 2.954 -13.055 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.652 2.927 -11.281 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.738 1.408 -12.205 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.975 1.863 -15.364 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.768 3.298 -14.332 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.397 2.653 -14.643 1.00 0.00 H new ATOM 1325 N ASP A 85 1.623 -0.148 -10.486 1.00 0.00 N ATOM 1326 CA ASP A 85 0.228 -0.567 -10.401 1.00 0.00 C ATOM 1327 C ASP A 85 -0.203 -0.633 -8.940 1.00 0.00 C ATOM 1328 O ASP A 85 -1.266 -1.162 -8.610 1.00 0.00 O ATOM 1329 CB ASP A 85 0.051 -1.940 -11.054 1.00 0.00 C ATOM 1330 CG ASP A 85 0.816 -2.997 -10.263 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.188 -2.712 -9.138 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.019 -4.075 -10.797 1.00 0.00 O ATOM 0 H ASP A 85 2.301 -0.901 -10.367 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.392 0.159 -10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.007 -2.199 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.411 -1.912 -12.082 1.00 0.00 H new ATOM 1337 N LEU A 86 0.647 -0.096 -8.072 1.00 0.00 N ATOM 1338 CA LEU A 86 0.388 -0.091 -6.639 1.00 0.00 C ATOM 1339 C LEU A 86 -1.035 0.355 -6.321 1.00 0.00 C ATOM 1340 O LEU A 86 -1.742 -0.304 -5.558 1.00 0.00 O ATOM 1341 CB LEU A 86 1.374 0.857 -5.960 1.00 0.00 C ATOM 1342 CG LEU A 86 2.800 0.438 -6.312 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.797 1.365 -5.612 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.025 -1.000 -5.847 1.00 0.00 C ATOM 0 H LEU A 86 1.527 0.344 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 86 0.511 -1.109 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.193 1.882 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.232 0.835 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 86 2.947 0.505 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.813 1.064 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.631 2.391 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.658 1.301 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.041 -1.308 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.880 -1.061 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.315 -1.659 -6.346 1.00 0.00 H new ATOM 1356 N THR A 87 -1.450 1.483 -6.886 1.00 0.00 N ATOM 1357 CA THR A 87 -2.787 1.999 -6.621 1.00 0.00 C ATOM 1358 C THR A 87 -3.859 1.080 -7.192 1.00 0.00 C ATOM 1359 O THR A 87 -4.914 0.899 -6.583 1.00 0.00 O ATOM 1360 CB THR A 87 -2.941 3.404 -7.211 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.756 3.348 -8.618 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.900 4.341 -6.593 1.00 0.00 C ATOM 0 H THR A 87 -0.889 2.051 -7.521 1.00 0.00 H new ATOM 0 HA THR A 87 -2.917 2.045 -5.540 1.00 0.00 H new ATOM 0 HB THR A 87 -3.939 3.782 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.856 4.246 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.013 5.339 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.045 4.385 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.899 3.967 -6.809 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.590 0.492 -8.350 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.554 -0.407 -8.957 1.00 0.00 C ATOM 1372 C ASP A 88 -4.621 -1.697 -8.149 1.00 0.00 C ATOM 1373 O ASP A 88 -5.700 -2.157 -7.773 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.136 -0.721 -10.393 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.206 0.541 -11.249 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.824 1.498 -10.811 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.641 0.531 -12.330 1.00 0.00 O ATOM 0 H ASP A 88 -2.727 0.620 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.535 0.068 -8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.123 -1.122 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.788 -1.489 -10.810 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.453 -2.263 -7.875 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.371 -3.490 -7.099 1.00 0.00 C ATOM 1384 C GLN A 89 -3.769 -3.228 -5.647 1.00 0.00 C ATOM 1385 O GLN A 89 -4.547 -3.979 -5.063 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.945 -4.038 -7.159 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.978 -5.565 -7.077 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.553 -6.110 -7.079 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.343 -7.304 -6.868 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.443 -5.297 -7.310 1.00 0.00 N ATOM 0 H GLN A 89 -2.552 -1.892 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.059 -4.223 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.463 -3.724 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.354 -3.632 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.497 -5.879 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.535 -5.972 -7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.264 -4.308 -7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.400 -5.651 -7.316 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.231 -2.153 -5.068 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.545 -1.811 -3.683 1.00 0.00 C ATOM 1401 C LEU A 90 -5.048 -1.653 -3.488 1.00 0.00 C ATOM 1402 O LEU A 90 -5.624 -2.209 -2.554 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.840 -0.510 -3.294 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.195 -0.149 -1.851 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.584 -1.180 -0.901 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.637 1.237 -1.521 1.00 0.00 C ATOM 0 H LEU A 90 -2.585 -1.513 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.195 -2.622 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.761 -0.624 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.141 0.294 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.279 -0.144 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.837 -0.922 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.978 -2.169 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.500 -1.185 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.889 1.495 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.553 1.230 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.070 1.974 -2.197 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.676 -0.892 -4.376 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.114 -0.668 -4.291 1.00 0.00 C ATOM 1420 C ALA A 91 -7.862 -1.994 -4.354 1.00 0.00 C ATOM 1421 O ALA A 91 -8.883 -2.178 -3.692 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.570 0.235 -5.439 1.00 0.00 C ATOM 0 H ALA A 91 -5.217 -0.423 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.335 -0.183 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.645 0.398 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.053 1.193 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.337 -0.241 -6.391 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.344 -2.913 -5.161 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.956 -4.222 -5.318 1.00 0.00 C ATOM 1430 C ASN A 92 -7.580 -5.148 -4.167 1.00 0.00 C ATOM 1431 O ASN A 92 -8.389 -5.959 -3.717 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.482 -4.840 -6.629 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.075 -4.080 -7.810 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.082 -3.389 -7.662 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.504 -4.163 -8.982 1.00 0.00 N ATOM 0 H ASN A 92 -6.500 -2.773 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.039 -4.098 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.393 -4.815 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.779 -5.888 -6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.893 -3.654 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.669 -4.736 -9.103 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.338 -5.033 -3.716 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.843 -5.876 -2.640 1.00 0.00 C ATOM 1444 C GLN A 93 -6.344 -5.412 -1.279 1.00 0.00 C ATOM 1445 O GLN A 93 -6.583 -6.227 -0.387 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.318 -5.866 -2.648 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.809 -6.542 -3.920 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.062 -8.041 -3.850 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.958 -8.641 -2.779 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.384 -8.688 -4.934 1.00 0.00 N ATOM 0 H GLN A 93 -5.657 -4.365 -4.079 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.217 -6.886 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.951 -4.841 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.936 -6.386 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.310 -6.121 -4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.743 -6.350 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.469 -8.189 -5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.551 -9.694 -4.897 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.486 -4.107 -1.113 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.943 -3.571 0.157 1.00 0.00 C ATOM 1461 C LEU A 94 -8.243 -4.251 0.599 1.00 0.00 C ATOM 1462 O LEU A 94 -8.284 -4.881 1.654 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.120 -2.056 0.052 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.978 -1.559 1.214 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.373 -2.035 2.536 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.020 -0.030 1.198 1.00 0.00 C ATOM 0 H LEU A 94 -6.294 -3.408 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.189 -3.778 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.147 -1.564 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.591 -1.800 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.989 -1.954 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.985 -1.680 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.340 -3.124 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.362 -1.640 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.632 0.326 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.008 0.363 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.450 0.312 0.257 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.292 -4.160 -0.183 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.590 -4.810 0.154 1.00 0.00 C ATOM 1480 C PRO A 95 -10.395 -6.271 0.552 1.00 0.00 C ATOM 1481 O PRO A 95 -10.991 -6.751 1.518 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.413 -4.730 -1.141 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.552 -4.065 -2.172 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.370 -3.426 -1.448 1.00 0.00 C ATOM 0 HA PRO A 95 -11.074 -4.320 0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.709 -5.726 -1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.329 -4.162 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.203 -4.792 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.120 -3.311 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.449 -3.523 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.532 -2.361 -1.282 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.558 -6.972 -0.208 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.284 -8.382 0.058 1.00 0.00 C ATOM 1494 C GLN A 96 -8.640 -8.561 1.427 1.00 0.00 C ATOM 1495 O GLN A 96 -8.891 -9.551 2.116 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.352 -8.941 -1.017 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.032 -8.838 -2.383 1.00 0.00 C ATOM 1498 CD GLN A 96 -10.314 -9.663 -2.390 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -10.301 -10.835 -2.016 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -11.429 -9.117 -2.796 1.00 0.00 N ATOM 0 H GLN A 96 -9.059 -6.589 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.231 -8.922 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.413 -8.388 -1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.108 -9.980 -0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.259 -7.796 -2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.357 -9.193 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.438 -8.145 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.291 -9.662 -2.803 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.811 -7.601 1.816 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.136 -7.671 3.107 1.00 0.00 C ATOM 1511 C TRP A 97 -8.159 -7.635 4.236 1.00 0.00 C ATOM 1512 O TRP A 97 -8.047 -8.375 5.213 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.168 -6.495 3.253 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.152 -6.529 2.153 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.965 -7.554 1.287 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.184 -5.503 1.785 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.939 -7.224 0.418 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.428 -5.970 0.684 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.891 -4.227 2.297 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.418 -5.196 0.111 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.875 -3.446 1.723 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.139 -3.931 0.631 1.00 0.00 C ATOM 0 H TRP A 97 -7.591 -6.772 1.263 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.578 -8.606 3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.718 -5.554 3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.670 -6.541 4.221 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.525 -8.478 1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.602 -7.833 -0.328 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.451 -3.845 3.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.855 -5.574 -0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.659 -2.467 2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.358 -3.327 0.194 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.164 -6.780 4.086 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.212 -6.664 5.087 1.00 0.00 C ATOM 1535 C LEU A 98 -11.052 -7.937 5.109 1.00 0.00 C ATOM 1536 O LEU A 98 -11.578 -8.334 6.146 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.104 -5.466 4.761 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.238 -4.216 4.600 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.135 -2.978 4.509 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.305 -4.087 5.806 1.00 0.00 C ATOM 0 H LEU A 98 -9.273 -6.160 3.283 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.756 -6.520 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.664 -5.654 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.835 -5.316 5.556 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.645 -4.298 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.516 -2.088 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.799 -3.072 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.730 -2.892 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.686 -3.197 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.897 -4.005 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.666 -4.968 5.867 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.173 -8.561 3.944 1.00 0.00 N ATOM 1553 CA VAL A 99 -11.949 -9.788 3.806 1.00 0.00 C ATOM 1554 C VAL A 99 -11.229 -10.973 4.447 1.00 0.00 C ATOM 1555 O VAL A 99 -11.697 -12.107 4.367 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.194 -10.080 2.326 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -12.988 -11.379 2.185 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -12.985 -8.925 1.706 1.00 0.00 C ATOM 0 H VAL A 99 -10.742 -8.237 3.078 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.901 -9.646 4.319 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.239 -10.185 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.162 -11.586 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.424 -12.200 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.945 -11.278 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.161 -9.130 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -13.941 -8.821 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.417 -8.000 1.806 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.083 -10.711 5.066 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.314 -11.780 5.698 1.00 0.00 C ATOM 1570 C GLN A 100 -9.863 -12.109 7.081 1.00 0.00 C ATOM 1571 O GLN A 100 -9.165 -12.682 7.917 1.00 0.00 O ATOM 1572 CB GLN A 100 -7.841 -11.384 5.812 1.00 0.00 C ATOM 1573 CG GLN A 100 -7.262 -11.163 4.414 1.00 0.00 C ATOM 1574 CD GLN A 100 -5.795 -10.761 4.515 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -5.277 -10.565 5.615 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -5.090 -10.621 3.426 1.00 0.00 N ATOM 0 H GLN A 100 -9.669 -9.782 5.144 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.401 -12.666 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.743 -10.475 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.283 -12.164 6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.358 -12.074 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.826 -10.387 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.520 -10.784 2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.109 -10.349 3.485 1.00 0.00 H new ATOM 1585 N GLN A 101 -11.113 -11.741 7.314 1.00 0.00 N ATOM 1586 CA GLN A 101 -11.747 -12.004 8.602 1.00 0.00 C ATOM 1587 C GLN A 101 -12.433 -13.369 8.609 1.00 0.00 C ATOM 1588 O GLN A 101 -12.942 -13.812 9.639 1.00 0.00 O ATOM 1589 CB GLN A 101 -12.767 -10.910 8.920 1.00 0.00 C ATOM 1590 CG GLN A 101 -12.043 -9.567 9.034 1.00 0.00 C ATOM 1591 CD GLN A 101 -10.966 -9.649 10.109 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -11.276 -9.813 11.289 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -9.710 -9.557 9.768 1.00 0.00 N ATOM 0 H GLN A 101 -11.707 -11.263 6.636 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.970 -12.006 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.524 -10.863 8.138 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.285 -11.138 9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.594 -9.303 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.755 -8.779 9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.456 -9.421 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.982 -9.621 10.480 1.00 0.00 H new ATOM 1602 N GLU A 102 -12.434 -14.035 7.458 1.00 0.00 N ATOM 1603 CA GLU A 102 -13.050 -15.355 7.350 1.00 0.00 C ATOM 1604 C GLU A 102 -11.992 -16.452 7.432 1.00 0.00 C ATOM 1605 O GLU A 102 -10.794 -16.172 7.430 1.00 0.00 O ATOM 1606 CB GLU A 102 -13.822 -15.477 6.034 1.00 0.00 C ATOM 1607 CG GLU A 102 -15.033 -14.542 6.059 1.00 0.00 C ATOM 1608 CD GLU A 102 -14.619 -13.133 5.658 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -13.453 -12.943 5.365 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -15.475 -12.263 5.654 1.00 0.00 O ATOM 0 H GLU A 102 -12.019 -13.687 6.594 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.744 -15.475 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.173 -15.225 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.148 -16.507 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.800 -14.911 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.471 -14.530 7.057 1.00 0.00 H new ATOM 1617 N GLY A 103 -12.445 -17.701 7.508 1.00 0.00 N ATOM 1618 CA GLY A 103 -11.531 -18.836 7.594 1.00 0.00 C ATOM 1619 C GLY A 103 -10.494 -18.797 6.474 1.00 0.00 C ATOM 1620 O GLY A 103 -10.064 -17.725 6.047 1.00 0.00 O ATOM 0 H GLY A 103 -13.434 -17.952 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.027 -18.828 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.096 -19.766 7.537 1.00 0.00 H new ATOM 1624 N ILE A 104 -10.092 -19.974 6.006 1.00 0.00 N ATOM 1625 CA ILE A 104 -9.102 -20.065 4.939 1.00 0.00 C ATOM 1626 C ILE A 104 -9.774 -20.360 3.602 1.00 0.00 C ATOM 1627 O ILE A 104 -10.665 -21.204 3.516 1.00 0.00 O ATOM 1628 CB ILE A 104 -8.095 -21.172 5.253 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -7.438 -20.898 6.609 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -7.021 -21.213 4.163 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -6.523 -22.067 6.977 1.00 0.00 C ATOM 0 H ILE A 104 -10.434 -20.873 6.346 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.586 -19.107 4.871 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.612 -22.131 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.864 -19.972 6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.202 -20.765 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.304 -22.002 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -7.489 -21.412 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.505 -20.254 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.055 -21.873 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.110 -22.984 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.751 -22.179 6.215 1.00 0.00 H new ATOM 1643 N PHE A 105 -9.338 -19.658 2.560 1.00 0.00 N ATOM 1644 CA PHE A 105 -9.900 -19.850 1.227 1.00 0.00 C ATOM 1645 C PHE A 105 -8.914 -20.594 0.333 1.00 0.00 C ATOM 1646 O PHE A 105 -7.973 -21.162 0.864 1.00 0.00 O ATOM 1647 CB PHE A 105 -10.234 -18.493 0.604 1.00 0.00 C ATOM 1648 CG PHE A 105 -11.719 -18.241 0.703 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -12.606 -18.960 -0.107 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -12.208 -17.284 1.600 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -13.984 -18.723 -0.019 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -13.586 -17.048 1.689 1.00 0.00 C ATOM 1653 CZ PHE A 105 -14.473 -17.768 0.880 1.00 0.00 C ATOM 1654 OXT PHE A 105 -9.114 -20.585 -0.871 1.00 0.00 O ATOM 0 H PHE A 105 -8.601 -18.955 2.612 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.810 -20.443 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -9.686 -17.702 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -9.921 -18.474 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -12.228 -19.697 -0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -11.523 -16.728 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -14.669 -19.277 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -13.964 -16.311 2.382 1.00 0.00 H new ATOM 0 HZ PHE A 105 -15.535 -17.587 0.950 1.00 0.00 H new TER 1664 PHE A 105